*HEADER    RIBOSOME                                19-MAR-04   1SQR              
*TITLE     SOLUTION STRUCTURE OF THE 50S RIBOSOMAL PROTEIN L35AE FROM            
*TITLE    2 PYROCOCCUS FURIOSUS. NORTHEAST STRUCTURAL GENOMICS                   
*TITLE    3 CONSORTIUM TARGET PFR48.                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 50S RIBOSOMAL PROTEIN L35AE;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS;                            
*SOURCE   3 GENE: RPL35AE, PF1872;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MGK;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    PFR48, NMR STRUCTURE, AUTOSTRUCTURE, RIBOSOMAL PROTEIN,               
*KEYWDS   2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, BETA-BARREL, NESG,         
*KEYWDS   3 STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.A.SNYDER, J.M.ARAMINI, Y.J.HUANG, R.XIAO, J.R.CORT,                 
*AUTHOR   2 R.SHASTRY, L.C.MA, J.LIU, B.ROST, T.B.ACTON, M.A.KENNEDY,            
*AUTHOR   3 G.T.MONTELIONE                                                       
*REVDAT   1   16-NOV-04 1SQR    0                                                
! Constraints used to calculate RP-L35AE (PfR48) Structure
! in XPLOR format

! Constraint types are: distance, dihedral angle and h-bond
! See notes associated with each type of constraint regarding
! some details of structure calculation

! Distance constraints created by  NOESY_Assign Version 2.0.0 Copyright(C) 1995-2003
! and modified by D.A.S. to reflect method of structure calculation

! NB:  Structure was calculated initially without A66/L8 constraints
!  and then these constraints were reintroduced but other
! constraints associated with A66 and peaks of dubious quality were
! removed.  This was necessary to prevent physically unreasonable pinning.
! Constraints listed are union of these two (largely similar) constraint 
! sets, and resulting structure satisfies all constraints except an L23/A66
! constraint obtained from a peak of dubious quality (it is commented
! out but noted)

!R2
!assign (resid 2    and name HA    )(resid 2    and name HB#   )     4.0  2.2 2.0
assign (resid 2    and name HA    )(resid 2    and name HG#   )     4.0  2.2 2.0
assign (resid 2    and name HA    )(resid 3    and name HN    )     4.0  2.2 1.0
assign (resid 2    and name HA    )(resid 3    and name HD1#  )     4.0  2.2 2.0
assign (resid 2    and name HA    )(resid 87   and name HA    )     4.0  2.2 1.0
assign (resid 2    and name HA    )(resid 87   and name HG##  )     4.0  2.2 3.4
assign (resid 2    and name HA    )(resid 87   and name HG2#  )     4.0  2.2 2.0
!assign (resid 2    and name HB#   )(resid 2    and name HG#   )     4.0  2.2 3.0
assign (resid 2    and name HB#   )(resid 2    and name HD#   )     4.0  2.2 3.0
assign (resid 2    and name HB#   )(resid 3    and name HN    )     4.0  2.2 2.0
assign (resid 2    and name HB#   )(resid 85   and name HG#   )     4.0  2.2 3.0
assign (resid 2    and name HB#   )(resid 87   and name HA    )     4.0  2.2 2.0
assign (resid 2    and name HB#   )(resid 87   and name HG##  )     4.0  2.2 4.4
assign (resid 2    and name HB#   )(resid 87   and name HG2#  )     4.0  2.2 3.0
!assign (resid 2    and name HG#   )(resid 2    and name HD#   )     4.0  2.2 3.0
assign (resid 2    and name HG#   )(resid 3    and name HN    )     4.0  2.2 2.0
assign (resid 2    and name HG#   )(resid 87   and name HG1#  )     4.0  2.2 3.0
assign (resid 2    and name HG#   )(resid 87   and name HG2#  )     4.0  2.2 3.0
assign (resid 2    and name HD#   )(resid 87   and name HB    )     4.0  2.2 2.0
assign (resid 2    and name HD#   )(resid 87   and name HG1#  )     4.0  2.2 3.0
assign (resid 2    and name HD#   )(resid 87   and name HG2#  )     4.0  2.2 3.0
!I3
assign (resid 3    and name HN    )(resid 3    and name HA    )     4.0  2.2 1.0
assign (resid 3    and name HN    )(resid 3    and name HB    )     4.0  2.2 1.0
assign (resid 3    and name HN    )(resid 3    and name HG12  )     4.0  2.2 1.0
assign (resid 3    and name HN    )(resid 3    and name HG11  )     4.0  2.2 1.0
assign (resid 3    and name HN    )(resid 3    and name HD1#  )     4.0  2.2 2.0
assign (resid 3    and name HN    )(resid 86   and name HN    )     4.0  2.2 1.0
assign (resid 3    and name HN    )(resid 87   and name HA    )     4.0  2.2 1.0
assign (resid 3    and name HN    )(resid 87   and name HG1#  )     4.0  2.2 2.0
assign (resid 3    and name HN    )(resid 87   and name HG2#  )     4.0  2.2 2.0
!assign (resid 3    and name HA    )(resid 3    and name HB    )     4.0  2.2 1.0
assign (resid 3    and name HA    )(resid 3    and name HG12  )     4.0  2.2 1.0
assign (resid 3    and name HA    )(resid 3    and name HG11  )     4.0  2.2 1.0
assign (resid 3    and name HA    )(resid 3    and name HG2#  )     4.0  2.2 1.6
assign (resid 3    and name HA    )(resid 4    and name HN    )     4.0  2.2 1.0
!assign (resid 3    and name HB    )(resid 3    and name HG12  )     4.0  2.2 1.0
!assign (resid 3    and name HB    )(resid 3    and name HG11  )     4.0  2.2 1.0
!assign (resid 3    and name HB    )(resid 3    and name HG2#  )     4.0  2.2 2.0
assign (resid 3    and name HB    )(resid 3    and name HD1#  )     4.0  2.2 2.0
assign (resid 3    and name HB    )(resid 4    and name HN    )     3.0  1.2 0.5
assign (resid 3    and name HB    )(resid 86   and name HG1#  )     4.0  2.2 2.0
assign (resid 3    and name HB    )(resid 86   and name HG2#  )     4.0  2.2 2.0
assign (resid 3    and name HB    )(resid 86   and name HD1#  )     4.0  2.2 2.0
!assign (resid 3    and name HG12  )(resid 3    and name HG11  )     4.0  2.2 1.0
!assign (resid 3    and name HG11  )(resid 3    and name HG12  )     4.0  2.2 1.0
assign (resid 3    and name HG12  )(resid 3    and name HG2#  )     4.0  2.2 2.0
assign (resid 3    and name HG11  )(resid 3    and name HG2#  )     4.0  2.2 2.0
!assign (resid 3    and name HG12  )(resid 3    and name HD1#  )     4.0  2.2 2.0
!assign (resid 3    and name HG11  )(resid 3    and name HD1#  )     4.0  2.2 2.0
assign (resid 3    and name HG12  )(resid 86   and name HB    )     4.0  2.2 1.0
assign (resid 3    and name HG11  )(resid 86   and name HB    )     4.0  2.2 1.0
assign (resid 3    and name HG1#  )(resid 86   and name HG2#  )     4.0  2.2 3.0
assign (resid 3    and name HG1#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
assign (resid 3    and name HG2#  )(resid 3    and name HD1#  )     4.0  2.2 3.0
assign (resid 3    and name HG2#  )(resid 4    and name HN    )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 4    and name HA    )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 26   and name HA    )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 26   and name HB2   )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 26   and name HB1   )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 28   and name HN    )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 29   and name HG2#  )     4.0  2.2 3.0
assign (resid 3    and name HG2#  )(resid 86   and name HB    )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 86   and name HG1#  )     4.0  2.2 3.0
assign (resid 3    and name HG2#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
assign (resid 3    and name HD1#  )(resid 86   and name HB    )     4.0  2.2 2.0
assign (resid 3    and name HD1#  )(resid 86   and name HG2#  )     4.0  2.2 3.0
assign (resid 3    and name HD1#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
!K4
assign (resid 4    and name HN    )(resid 4    and name HA    )     4.0  2.2 1.0
assign (resid 4    and name HN    )(resid 4    and name HB#   )     4.0  2.2 2.0
assign (resid 4    and name HN    )(resid 4    and name HG2   )     4.0  2.2 1.0
assign (resid 4    and name HN    )(resid 4    and name HG1   )     4.0  2.2 1.0
assign (resid 4    and name HN    )(resid 4    and name HD#   )     4.0  2.2 2.0
assign (resid 4    and name HN    )(resid 5    and name HN    )     4.0  2.2 1.0
assign (resid 4    and name HN    )(resid 27   and name HD2#  )     4.0  2.2 2.0
assign (resid 4    and name HN    )(resid 86   and name HD1#  )     4.0  2.2 2.0
!assign (resid 4    and name HA    )(resid 4    and name HB2   )     4.0  2.2 1.0
!assign (resid 4    and name HA    )(resid 4    and name HB1   )     4.0  2.2 1.0
assign (resid 4    and name HA    )(resid 4    and name HG2   )     4.0  2.2 1.0
assign (resid 4    and name HA    )(resid 4    and name HG1   )     4.0  2.2 1.0
assign (resid 4    and name HA    )(resid 4    and name HD#   )     4.0  2.2 2.0
assign (resid 4    and name HA    )(resid 4    and name HE#   )     4.0  2.2 2.0
assign (resid 4    and name HA    )(resid 5    and name HN    )     4.0  2.2 1.0
assign (resid 4    and name HA    )(resid 84   and name HG2#  )     4.0  2.2 2.0
assign (resid 4    and name HA    )(resid 85   and name HA    )     3.0  1.2 0.5
assign (resid 4    and name HA    )(resid 86   and name HN    )     4.0  2.2 1.0
!assign (resid 4    and name HB2   )(resid 4    and name HG2   )     4.0  2.2 1.0
!assign (resid 4    and name HB2   )(resid 4    and name HG1   )     4.0  2.2 1.0
!assign (resid 4    and name HB1   )(resid 4    and name HG2   )     4.0  2.2 1.0
!assign (resid 4    and name HB1   )(resid 4    and name HG1   )     4.0  2.2 1.0
assign (resid 4    and name HB2   )(resid 4    and name HD#   )     4.0  2.2 2.0
assign (resid 4    and name HB1   )(resid 4    and name HD#   )     4.0  2.2 2.0
assign (resid 4    and name HB#   )(resid 4    and name HE#   )     4.0  2.2 3.0
assign (resid 4    and name HB2   )(resid 5    and name HN    )     4.0  2.2 1.0
assign (resid 4    and name HB1   )(resid 5    and name HN    )     4.0  2.2 1.0
assign (resid 4    and name HB#   )(resid 27   and name HD1#  )     4.0  2.2 3.0
assign (resid 4    and name HB#   )(resid 85   and name HG2   )     4.0  2.2 2.0
assign (resid 4    and name HB#   )(resid 85   and name HG1   )     4.0  2.2 2.0
assign (resid 4    and name HB#   )(resid 83   and name HD#   )     4.0  2.2 4.0
assign (resid 4    and name HB#   )(resid 83   and name HE#   )     4.0  2.2 4.0
!assign (resid 4    and name HG2   )(resid 4    and name HG1   )     4.0  2.2 1.0
!assign (resid 4    and name HG1   )(resid 4    and name HG2   )     4.0  2.2 1.0
!assign (resid 4    and name HG2   )(resid 4    and name HD#   )     4.0  2.2 2.0
!assign (resid 4    and name HG1   )(resid 4    and name HD#   )     4.0  2.2 2.0
assign (resid 4    and name HG2   )(resid 4    and name HE#   )     4.0  2.2 2.0
assign (resid 4    and name HG1   )(resid 4    and name HE#   )     4.0  2.2 2.0
assign (resid 4    and name HG#   )(resid 5    and name HN    )     4.0  2.2 2.0
assign (resid 4    and name HG#   )(resid 27   and name HB2   )     4.0  2.2 2.0
assign (resid 4    and name HG#   )(resid 27   and name HB1   )     4.0  2.2 2.0
assign (resid 4    and name HG2   )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 4    and name HG2   )(resid 27   and name HD2#  )     4.0  2.2 2.0
assign (resid 4    and name HG1   )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 4    and name HG1   )(resid 27   and name HD2#  )     4.0  2.2 2.0
assign (resid 4    and name HG#   )(resid 83   and name HD#   )     4.0  2.2 4.0
!assign (resid 4    and name HD#   )(resid 4    and name HE#   )     4.0  2.2 3.0
assign (resid 4    and name HD#   )(resid 27   and name HD1#  )     4.0  2.2 3.0
assign (resid 4    and name HD#   )(resid 27   and name HD2#  )     4.0  2.2 3.0
assign (resid 4    and name HD#   )(resid 83   and name HD#   )     4.0  2.2 4.0
assign (resid 4    and name HD#   )(resid 83   and name HE#   )     4.0  2.2 4.0
assign (resid 4    and name HE#   )(resid 27   and name HD1#  )     4.0  2.2 3.0
assign (resid 4    and name HE#   )(resid 27   and name HD2#  )     4.0  2.2 3.0
assign (resid 4    and name HE#   )(resid 85   and name HB#   )     4.0  2.2 3.0
assign (resid 4    and name HE#   )(resid 83   and name HD#   )     4.0  2.2 4.0
assign (resid 4    and name HE#   )(resid 83   and name HE#   )     4.0  2.2 4.0
!G5
assign (resid 5    and name HN    )(resid 5    and name HA2   )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 5    and name HA1   )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 6    and name HN    )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 84   and name HG2#  )     4.0  2.2 2.0
assign (resid 5    and name HN    )(resid 85   and name HA    )     4.0  2.2 1.0
!assign (resid 5    and name HA2   )(resid 5    and name HA1   )     3.0  1.2 0.5
!assign (resid 5    and name HA1   )(resid 5    and name HA2   )     3.0  1.2 0.5
assign (resid 5    and name HA2   )(resid 6    and name HN    )     4.0  2.2 1.0
assign (resid 5    and name HA1   )(resid 6    and name HN    )     4.0  2.2 1.0
assign (resid 5    and name HA2   )(resid 6    and name HG##  )     4.0  2.2 3.4
assign (resid 5    and name HA1   )(resid 6    and name HG##  )     4.0  2.2 3.4
assign (resid 5    and name HA2   )(resid 24   and name HG2#  )     4.0  2.2 2.0
assign (resid 5    and name HA1   )(resid 24   and name HG2#  )     4.0  2.2 2.0
assign (resid 5    and name HA2   )(resid 26   and name HA    )     4.0  2.2 1.0
assign (resid 5    and name HA1   )(resid 26   and name HA    )     4.0  2.2 1.0
assign (resid 5    and name HA2   )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 5    and name HA1   )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 5    and name HA2   )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 5    and name HA1   )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 5    and name HA2   )(resid 84   and name HG2#  )     4.0  2.2 2.0
assign (resid 5    and name HA1   )(resid 84   and name HG2#  )     4.0  2.2 2.0
assign (resid 5    and name HA#   )(resid 86   and name HD1#  )     4.0  2.2 3.0
!V6
assign (resid 6    and name HN    )(resid 6    and name HB    )     3.0  1.2 0.5
assign (resid 6    and name HN    )(resid 6    and name HG##  )     4.0  2.2 2.7
assign (resid 6    and name HN    )(resid 7    and name HN    )     4.0  2.2 1.0
assign (resid 6    and name HN    )(resid 24   and name HA    )     4.0  2.2 1.0
assign (resid 6    and name HN    )(resid 24   and name HG2#  )     4.0  2.2 2.0
assign (resid 6    and name HN    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 6    and name HN    )(resid 26   and name HA    )     4.0  2.2 1.0
assign (resid 6    and name HN    )(resid 27   and name HD1#  )     4.0  2.2 2.0
!assign (resid 6    and name HA    )(resid 6    and name HB    )     4.0  2.2 1.0
assign (resid 6    and name HA    )(resid 6    and name HG##  )     4.0  2.2 1.6
assign (resid 6    and name HA    )(resid 7    and name HN    )     4.0  2.2 1.0
assign (resid 6    and name HA    )(resid 83   and name HA    )     4.0  2.2 1.0
assign (resid 6    and name HA    )(resid 84   and name HG2#  )     4.0  2.2 2.0
assign (resid 6    and name HA    )(resid 83   and name HD#   )     4.0  2.2 3.0
!assign (resid 6    and name HB    )(resid 6    and name HG##  )     4.0  2.2 3.4
assign (resid 6    and name HB    )(resid 7    and name HN    )     4.0  2.2 1.0
assign (resid 6    and name HB    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 6    and name HB    )(resid 25   and name HB#   )     4.0  2.2 2.0
assign (resid 6    and name HB    )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 6    and name HG##  )(resid 7    and name HN    )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 25   and name HN    )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 26   and name HA    )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 27   and name HG    )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 27   and name HD1#  )     4.0  2.2 4.4
assign (resid 6    and name HG##  )(resid 27   and name HD2#  )     4.0  2.2 4.4
assign (resid 6    and name HG##  )(resid 81   and name HA2   )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 81   and name HA1   )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 83   and name HN    )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 83   and name HA    )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 84   and name HN    )     4.0  2.2 3.4
assign (resid 6    and name HG##  )(resid 83   and name HD#   )     4.0  2.2 5.4
assign (resid 6    and name HG##  )(resid 83   and name HE#   )     4.0  2.2 5.4
!V7
assign (resid 7    and name HN    )(resid 7    and name HA    )     4.0  2.2 1.0
assign (resid 7    and name HN    )(resid 7    and name HB    )     3.0  1.2 0.5
assign (resid 7    and name HN    )(resid 7    and name HG1#  )     4.0  2.2 2.0
assign (resid 7    and name HN    )(resid 7    and name HG2#  )     4.0  2.2 2.0
!assign (resid 7    and name HA    )(resid 7    and name HB    )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 7    and name HG1#  )     4.0  2.2 2.0
assign (resid 7    and name HA    )(resid 7    and name HG2#  )     4.0  2.2 2.0
assign (resid 7    and name HA    )(resid 8    and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 8    and name HG    )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 24   and name HA    )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 24   and name HG12  )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 24   and name HG11  )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 24   and name HG2#  )     4.0  2.2 2.0
assign (resid 7    and name HA    )(resid 24   and name HD1#  )     4.0  2.2 2.0
!assign (resid 7    and name HB    )(resid 7    and name HG1#  )     4.0  2.2 2.0
!assign (resid 7    and name HB    )(resid 7    and name HG2#  )     4.0  2.2 2.0
assign (resid 7    and name HB    )(resid 80   and name HA    )     4.0  2.2 1.0
assign (resid 7    and name HB    )(resid 81   and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HB    )(resid 82   and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HB    )(resid 82   and name HB#   )     4.0  2.2 2.0
!assign (resid 7    and name HG1#  )(resid 7    and name HG2#  )     4.0  2.2 3.0
assign (resid 7    and name HG1#  )(resid 8    and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG1#  )(resid 9    and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG1#  )(resid 9    and name HA    )     4.0  2.2 2.0
assign (resid 7    and name HG1#  )(resid 22   and name HG#   )     4.0  2.2 3.0
assign (resid 7    and name HG2#  )(resid 22   and name HG#   )     4.0  2.2 3.0
assign (resid 7    and name HG2#  )(resid 24   and name HA    )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 24   and name HG12  )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 24   and name HG11  )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 24   and name HG2#  )     4.0  2.2 3.0
assign (resid 7    and name HG1#  )(resid 80   and name HA    )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 80   and name HA    )     4.0  2.2 2.0
assign (resid 7    and name HG1#  )(resid 80   and name HD1#  )     4.0  2.2 3.0
assign (resid 7    and name HG1#  )(resid 81   and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG1#  )(resid 82   and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 82   and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 82   and name HB#   )     4.0  2.2 3.0
assign (resid 7    and name HG2#  )(resid 84   and name HG1#  )     4.0  2.2 3.0
!L8
assign (resid 8    and name HN    )(resid 8    and name HA    )     4.0  2.2 1.0
assign (resid 8    and name HN    )(resid 8    and name HB#   )     4.0  2.2 2.0
assign (resid 8    and name HN    )(resid 8    and name HG    )     4.0  2.2 1.0
assign (resid 8    and name HN    )(resid 8    and name HD##  )     4.0  2.2 2.7
assign (resid 8    and name HN    )(resid 9    and name HN    )     4.0  2.2 1.0
assign (resid 8    and name HN    )(resid 23   and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HN    )(resid 24   and name HA    )     4.0  2.2 1.0
!assign (resid 8    and name HA    )(resid 8    and name HB#   )     4.0  2.2 2.0
assign (resid 8    and name HA    )(resid 8    and name HG    )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 8    and name HD##  )     4.0  2.2 2.7
assign (resid 8    and name HA    )(resid 8    and name HD2#  )     4.0  2.2 2.0
assign (resid 8    and name HA    )(resid 9    and name HN    )     4.0  2.2 1.0
!assign (resid 8    and name HB#   )(resid 8    and name HG    )     4.0  2.2 2.0
assign (resid 8    and name HB#   )(resid 8    and name HD1#  )     4.0  2.2 3.0
assign (resid 8    and name HB#   )(resid 8    and name HD##  )     4.0  2.2 4.4
assign (resid 8    and name HB#   )(resid 9    and name HN    )     3.0  1.2 1.5
assign (resid 8    and name HB#   )(resid 23   and name HG2#  )     4.0  2.2 3.0
!assign (resid 8    and name HG    )(resid 8    and name HD##  )     4.0  2.2 3.4
!assign (resid 8    and name HG    )(resid 8    and name HD2#  )     4.0  2.2 2.0
assign (resid 8    and name HG    )(resid 23   and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HG    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 8    and name HG    )(resid 25   and name HB#   )     4.0  2.2 2.0
assign (resid 8    and name HD##  )(resid 9    and name HN    )     4.0  2.2 3.4
assign (resid 8    and name HD1#  )(resid 23   and name HG2#  )     4.0  2.2 3.0
assign (resid 8    and name HD2#  )(resid 23   and name HG2#  )     4.0  2.2 3.0
assign (resid 8    and name HD##  )(resid 23   and name HD1#  )     4.0  2.2 4.4
assign (resid 8    and name HD##  )(resid 25   and name HN    )     4.0  2.2 3.4
assign (resid 8    and name HD2#  )(resid 25   and name HN    )     4.0  2.2 2.0
assign (resid 8    and name HD1#  )(resid 25   and name HB2   )     4.0  2.2 2.0
assign (resid 8    and name HD1#  )(resid 25   and name HB1   )     4.0  2.2 2.0
assign (resid 8    and name HD2#  )(resid 25   and name HB2   )     4.0  2.2 2.0
assign (resid 8    and name HD2#  )(resid 25   and name HB1   )     4.0  2.2 2.0
assign (resid 8    and name HD1#  )(resid 25   and name HG#   )     4.0  2.2 3.0
assign (resid 8    and name HD2#  )(resid 25   and name HG#   )     4.0  2.2 3.0
assign (resid 8    and name HD##  )(resid 66   and name HB#   )     4.0  2.2 4.4
!S9
assign (resid 9    and name HN    )(resid 9    and name HA    )     3.0  1.2 0.5
assign (resid 9    and name HN    )(resid 9    and name HB#   )     4.0  2.2 2.0
assign (resid 9    and name HN    )(resid 23   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 23   and name HB    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 23   and name HG2#  )     4.0  2.2 2.0
!assign (resid 9    and name HA    )(resid 9    and name HB2   )     4.0  2.2 1.0
!assign (resid 9    and name HA    )(resid 9    and name HB1   )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 80   and name HD1#  )     4.0  2.2 2.0
assign (resid 9    and name HA    )(resid 80   and name HD2#  )     4.0  2.2 2.0
!assign (resid 9    and name HB2   )(resid 9    and name HB1   )     2.5  0.7 0.4
!assign (resid 9    and name HB1   )(resid 9    and name HB2   )     2.5  0.7 0.4
assign (resid 9    and name HB2   )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HB1   )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HB2   )(resid 23   and name HB    )     4.0  2.2 1.0
assign (resid 9    and name HB1   )(resid 23   and name HB    )     4.0  2.2 1.0
assign (resid 9    and name HB#   )(resid 80   and name HD1#  )     4.0  2.2 3.0
!Y10
assign (resid 10   and name HN    )(resid 10   and name HA    )     4.0  2.2 1.0
assign (resid 10   and name HN    )(resid 10   and name HB2   )     4.0  2.2 1.0
assign (resid 10   and name HN    )(resid 10   and name HB1   )     4.0  2.2 1.0
assign (resid 10   and name HN    )(resid 80   and name HD1#  )     4.0  2.2 2.0
assign (resid 10   and name HN    )(resid 80   and name HD2#  )     4.0  2.2 2.0
assign (resid 10   and name HN    )(resid 10   and name HD#   )     4.0  2.2 3.0
!assign (resid 10   and name HA    )(resid 10   and name HB2   )     4.0  2.2 1.0
!assign (resid 10   and name HA    )(resid 10   and name HB1   )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 11   and name HN    )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 22   and name HA    )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 23   and name HN    )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 10   and name HD#   )     4.0  2.2 2.0
!assign (resid 10   and name HB2   )(resid 10   and name HB1   )     3.0  1.2 0.5
!assign (resid 10   and name HB1   )(resid 10   and name HB2   )     3.0  1.2 0.5
assign (resid 10   and name HB2   )(resid 10   and name HD#   )     4.0  2.2 3.0
assign (resid 10   and name HB1   )(resid 10   and name HD#   )     4.0  2.2 3.0
assign (resid 10   and name HB#   )(resid 10   and name HE#   )     4.0  2.2 4.0
!R11
assign (resid 11   and name HN    )(resid 11   and name HA    )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 11   and name HB2   )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 11   and name HB1   )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 11   and name HG#   )     4.0  2.2 2.0
assign (resid 11   and name HN    )(resid 12   and name HN    )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 22   and name HA    )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 23   and name HN    )     4.0  2.2 1.0
!assign (resid 11   and name HA    )(resid 11   and name HB2   )     4.0  2.2 1.0
!assign (resid 11   and name HA    )(resid 11   and name HB1   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 11   and name HG2   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 11   and name HG1   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 11   and name HD2   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 11   and name HD1   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 12   and name HN    )     3.0  1.2 0.5
!assign (resid 11   and name HB2   )(resid 11   and name HB1   )     4.0  2.2 1.0
!assign (resid 11   and name HB1   )(resid 11   and name HB2   )     4.0  2.2 1.0
!assign (resid 11   and name HB2   )(resid 11   and name HG2   )     4.0  2.2 1.0
!assign (resid 11   and name HB2   )(resid 11   and name HG1   )     4.0  2.2 1.0
!assign (resid 11   and name HB1   )(resid 11   and name HG2   )     4.0  2.2 1.0
!assign (resid 11   and name HB1   )(resid 11   and name HG1   )     4.0  2.2 1.0
assign (resid 11   and name HB2   )(resid 11   and name HD2   )     4.0  2.2 1.0
assign (resid 11   and name HB2   )(resid 11   and name HD1   )     4.0  2.2 1.0
assign (resid 11   and name HB1   )(resid 11   and name HD2   )     4.0  2.2 1.0
assign (resid 11   and name HB1   )(resid 11   and name HD1   )     4.0  2.2 1.0
assign (resid 11   and name HB2   )(resid 12   and name HN    )     4.0  2.2 1.0
assign (resid 11   and name HB1   )(resid 12   and name HN    )     4.0  2.2 1.0
assign (resid 11   and name HB#   )(resid 21   and name HB    )     4.0  2.2 2.0
!assign (resid 11   and name HG2   )(resid 11   and name HD2   )     4.0  2.2 1.0
!assign (resid 11   and name HG2   )(resid 11   and name HD1   )     4.0  2.2 1.0
!assign (resid 11   and name HG1   )(resid 11   and name HD2   )     4.0  2.2 1.0
!assign (resid 11   and name HG1   )(resid 11   and name HD1   )     4.0  2.2 1.0
assign (resid 11   and name HG#   )(resid 21   and name HB    )     4.0  2.2 2.0
assign (resid 11   and name HD#   )(resid 21   and name HB    )     4.0  2.2 2.0
assign (resid 11   and name HD#   )(resid 21   and name HG##  )     4.0  2.2 4.4
!R12
assign (resid 12   and name HN    )(resid 12   and name HA    )     4.0  2.2 1.0
assign (resid 12   and name HN    )(resid 12   and name HB#   )     4.0  2.2 2.0
assign (resid 12   and name HN    )(resid 12   and name HG#   )     4.0  2.2 2.0
assign (resid 12   and name HN    )(resid 13   and name HN    )     3.0  1.2 0.5
!assign (resid 12   and name HA    )(resid 12   and name HB2   )     4.0  2.2 1.0
!assign (resid 12   and name HA    )(resid 12   and name HB1   )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 12   and name HG#   )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 12   and name HD#   )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 20   and name HA    )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 20   and name HD2#  )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 21   and name HN    )     4.0  2.2 1.0
!assign (resid 12   and name HB2   )(resid 12   and name HB1   )     2.5  0.7 0.4
!assign (resid 12   and name HB1   )(resid 12   and name HB2   )     2.5  0.7 0.4
!assign (resid 12   and name HB2   )(resid 12   and name HG#   )     4.0  2.2 2.0
!assign (resid 12   and name HB1   )(resid 12   and name HG#   )     4.0  2.2 2.0
assign (resid 12   and name HB2   )(resid 12   and name HD#   )     4.0  2.2 2.0
assign (resid 12   and name HB1   )(resid 12   and name HD#   )     4.0  2.2 2.0
assign (resid 12   and name HB#   )(resid 13   and name HN    )     4.0  2.2 2.0
!assign (resid 12   and name HG#   )(resid 12   and name HD#   )     4.0  2.2 3.0
assign (resid 12   and name HG#   )(resid 13   and name HN    )     4.0  2.2 2.0
!S13
assign (resid 13   and name HN    )(resid 13   and name HA    )     4.0  2.2 1.0
assign (resid 13   and name HN    )(resid 13   and name HB2   )     4.0  2.2 1.0
assign (resid 13   and name HN    )(resid 13   and name HB1   )     4.0  2.2 1.0
assign (resid 13   and name HN    )(resid 20   and name HA    )     3.0  1.2 0.5
!assign (resid 13   and name HA    )(resid 13   and name HB2   )     3.0  1.2 0.5
!assign (resid 13   and name HA    )(resid 13   and name HB1   )     3.0  1.2 0.5
assign (resid 13   and name HA    )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 20   and name HA    )     4.0  2.2 1.0
!assign (resid 13   and name HB2   )(resid 13   and name HB1   )     2.5  0.7 0.4
!assign (resid 13   and name HB1   )(resid 13   and name HB2   )     2.5  0.7 0.4
assign (resid 13   and name HB2   )(resid 20   and name HA    )     4.0  2.2 1.0
assign (resid 13   and name HB1   )(resid 20   and name HA    )     4.0  2.2 1.0
!K14
assign (resid 14   and name HN    )(resid 14   and name HB#   )     4.0  2.2 2.0
!assign (resid 14   and name HA    )(resid 14   and name HB#   )     3.0  1.2 1.5
assign (resid 14   and name HA    )(resid 14   and name HG#   )     4.0  2.2 2.0
assign (resid 14   and name HA    )(resid 14   and name HD#   )     4.0  2.2 2.0
assign (resid 14   and name HA    )(resid 15   and name HN    )     4.0  2.2 1.0
!assign (resid 14   and name HB#   )(resid 14   and name HG#   )     4.0  2.2 3.0
assign (resid 14   and name HB#   )(resid 14   and name HD#   )     4.0  2.2 3.0
assign (resid 14   and name HB#   )(resid 14   and name HE#   )     4.0  2.2 3.0
assign (resid 14   and name HB#   )(resid 15   and name HN    )     4.0  2.2 2.0
!assign (resid 14   and name HG#   )(resid 14   and name HD#   )     4.0  2.2 3.0
assign (resid 14   and name HG#   )(resid 14   and name HE#   )     4.0  2.2 3.0
!assign (resid 14   and name HD#   )(resid 14   and name HE#   )     4.0  2.2 3.0
!E15
assign (resid 15   and name HN    )(resid 15   and name HA    )     4.0  2.2 1.0
assign (resid 15   and name HN    )(resid 15   and name HB2   )     4.0  2.2 1.0
assign (resid 15   and name HN    )(resid 15   and name HB1   )     4.0  2.2 1.0
assign (resid 15   and name HN    )(resid 15   and name HG#   )     4.0  2.2 2.0
assign (resid 15   and name HN    )(resid 16   and name HN    )     4.0  2.2 1.0
!assign (resid 15   and name HA    )(resid 15   and name HB2   )     4.0  2.2 1.0
!assign (resid 15   and name HA    )(resid 15   and name HB1   )     4.0  2.2 1.0
assign (resid 15   and name HA    )(resid 15   and name HG#   )     4.0  2.2 2.0
assign (resid 15   and name HA    )(resid 16   and name HN    )     4.0  2.2 1.0
!assign (resid 15   and name HB2   )(resid 15   and name HB1   )     2.5  0.7 0.4
!assign (resid 15   and name HB1   )(resid 15   and name HB2   )     2.5  0.7 0.4
!assign (resid 15   and name HB2   )(resid 15   and name HG#   )     4.0  2.2 2.0
!assign (resid 15   and name HB1   )(resid 15   and name HG#   )     4.0  2.2 2.0
assign (resid 15   and name HB#   )(resid 16   and name HN    )     4.0  2.2 2.0
!N16
assign (resid 16   and name HN    )(resid 16   and name HA    )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 16   and name HB2   )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 16   and name HB1   )     4.0  2.2 1.0
!assign (resid 16   and name HA    )(resid 16   and name HB2   )     3.0  1.2 0.5
!assign (resid 16   and name HA    )(resid 16   and name HB1   )     3.0  1.2 0.5
assign (resid 16   and name HA    )(resid 16   and name HD21  )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 16   and name HD22  )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 17   and name HN    )     4.0  2.2 1.0
!assign (resid 16   and name HB2   )(resid 16   and name HB1   )     2.5  0.7 0.4
!assign (resid 16   and name HB1   )(resid 16   and name HB2   )     2.5  0.7 0.4
assign (resid 16   and name HB2   )(resid 16   and name HD21  )     4.0  2.2 1.0
assign (resid 16   and name HB2   )(resid 16   and name HD22  )     4.0  2.2 1.0
assign (resid 16   and name HB1   )(resid 16   and name HD21  )     4.0  2.2 1.0
assign (resid 16   and name HB1   )(resid 16   and name HD22  )     4.0  2.2 1.0
!assign (resid 16   and name HD21  )(resid 16   and name HD22  )     4.0  2.2 1.0
!assign (resid 16   and name HD22  )(resid 16   and name HD21  )     4.0  2.2 1.0
!Q17
assign (resid 17   and name HN    )(resid 17   and name HA    )     4.0  2.2 1.0
assign (resid 17   and name HN    )(resid 17   and name HB2   )     4.0  2.2 1.0
assign (resid 17   and name HN    )(resid 17   and name HB1   )     4.0  2.2 1.0
assign (resid 17   and name HN    )(resid 17   and name HG#   )     4.0  2.2 2.0
!assign (resid 17   and name HA    )(resid 17   and name HB2   )     4.0  2.2 1.0
!assign (resid 17   and name HA    )(resid 17   and name HB1   )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 17   and name HG2   )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 17   and name HG1   )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 17   and name HE21  )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 17   and name HE22  )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 18   and name HN    )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 18   and name HB#   )     4.0  2.2 2.0
!assign (resid 17   and name HB2   )(resid 17   and name HB1   )     4.0  2.2 1.0
!assign (resid 17   and name HB1   )(resid 17   and name HB2   )     4.0  2.2 1.0
!assign (resid 17   and name HB2   )(resid 17   and name HG2   )     4.0  2.2 1.0
!assign (resid 17   and name HB2   )(resid 17   and name HG1   )     4.0  2.2 1.0
!assign (resid 17   and name HB1   )(resid 17   and name HG2   )     4.0  2.2 1.0
!assign (resid 17   and name HB1   )(resid 17   and name HG1   )     4.0  2.2 1.0
assign (resid 17   and name HB2   )(resid 17   and name HE21  )     4.0  2.2 1.0
assign (resid 17   and name HB2   )(resid 17   and name HE22  )     4.0  2.2 1.0
assign (resid 17   and name HB1   )(resid 17   and name HE21  )     4.0  2.2 1.0
!assign (resid 17   and name HG2   )(resid 17   and name HG1   )     4.0  2.2 1.0
!assign (resid 17   and name HG1   )(resid 17   and name HG2   )     4.0  2.2 1.0
assign (resid 17   and name HG2   )(resid 17   and name HE21  )     4.0  2.2 1.0
assign (resid 17   and name HG2   )(resid 17   and name HE22  )     4.0  2.2 1.0
assign (resid 17   and name HG1   )(resid 17   and name HE21  )     4.0  2.2 1.0
!assign (resid 17   and name HE21  )(resid 17   and name HE22  )     4.0  2.2 1.0
!assign (resid 17   and name HE22  )(resid 17   and name HE21  )     4.0  2.2 1.0
!H18
assign (resid 18   and name HN    )(resid 18   and name HA    )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 18   and name HB2   )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 18   and name HB1   )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 19   and name HA    )     3.0  1.2 0.5
!assign (resid 18   and name HA    )(resid 18   and name HB2   )     4.0  2.2 1.0
!assign (resid 18   and name HA    )(resid 18   and name HB1   )     4.0  2.2 1.0
!assign (resid 18   and name HB2   )(resid 18   and name HB1   )     2.5  0.7 0.4
!assign (resid 18   and name HB1   )(resid 18   and name HB2   )     2.5  0.7 0.4
!N19
!assign (resid 19   and name HA    )(resid 19   and name HB2   )     4.0  2.2 1.0
!assign (resid 19   and name HA    )(resid 19   and name HB1   )     4.0  2.2 1.0
assign (resid 19   and name HA    )(resid 19   and name HD21  )     4.0  2.2 1.0
assign (resid 19   and name HA    )(resid 19   and name HD22  )     4.0  2.2 1.0
assign (resid 19   and name HA    )(resid 20   and name HN    )     4.0  2.2 1.0
!assign (resid 19   and name HB2   )(resid 19   and name HB1   )     2.5  0.7 0.4
!assign (resid 19   and name HB1   )(resid 19   and name HB2   )     2.5  0.7 0.4
assign (resid 19   and name HB#   )(resid 19   and name HD21  )     4.0  2.2 2.0
assign (resid 19   and name HB2   )(resid 19   and name HD2#  )     4.0  2.2 2.0
assign (resid 19   and name HB1   )(resid 19   and name HD2#  )     4.0  2.2 2.0
assign (resid 19   and name HB#   )(resid 20   and name HN    )     4.0  2.2 2.0
!assign (resid 19   and name HD21  )(resid 19   and name HD22  )     4.0  2.2 1.0
!assign (resid 19   and name HD22  )(resid 19   and name HD21  )     4.0  2.2 1.0
assign (resid 19   and name HD2#  )(resid 20   and name HD21  )     4.0  2.2 2.0
assign (resid 19   and name HD2#  )(resid 20   and name HD22  )     4.0  2.2 2.0
!N20
assign (resid 20   and name HN    )(resid 20   and name HA    )     4.0  2.2 1.0
assign (resid 20   and name HN    )(resid 20   and name HB#   )     4.0  2.2 2.0
!assign (resid 20   and name HA    )(resid 20   and name HB2   )     4.0  2.2 1.0
!assign (resid 20   and name HA    )(resid 20   and name HB1   )     4.0  2.2 1.0
assign (resid 20   and name HA    )(resid 21   and name HN    )     3.0  1.2 0.5
assign (resid 20   and name HA    )(resid 21   and name HA    )     4.0  2.2 1.0
assign (resid 20   and name HA    )(resid 21   and name HG##  )     4.0  2.2 3.4
!assign (resid 20   and name HB2   )(resid 20   and name HB1   )     4.0  2.2 1.0
!assign (resid 20   and name HB1   )(resid 20   and name HB2   )     4.0  2.2 1.0
assign (resid 20   and name HB2   )(resid 20   and name HD21  )     4.0  2.2 1.0
assign (resid 20   and name HB2   )(resid 20   and name HD22  )     4.0  2.2 1.0
assign (resid 20   and name HB1   )(resid 20   and name HD21  )     4.0  2.2 1.0
assign (resid 20   and name HB1   )(resid 20   and name HD22  )     4.0  2.2 1.0
!assign (resid 20   and name HD21  )(resid 20   and name HD22  )     4.0  2.2 1.0
!assign (resid 20   and name HD22  )(resid 20   and name HD21  )     4.0  2.2 1.0
!V21
assign (resid 21   and name HN    )(resid 21   and name HA    )     4.0  2.2 1.0
assign (resid 21   and name HN    )(resid 21   and name HB    )     3.0  1.2 0.5
assign (resid 21   and name HN    )(resid 21   and name HG##  )     4.0  2.2 2.7
!assign (resid 21   and name HA    )(resid 21   and name HB    )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 21   and name HG1#  )     4.0  2.2 2.0
assign (resid 21   and name HA    )(resid 21   and name HG2#  )     4.0  2.2 2.0
assign (resid 21   and name HA    )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 70   and name HG2   )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 70   and name HG1   )     4.0  2.2 1.0
!assign (resid 21   and name HB    )(resid 21   and name HG1#  )     4.0  2.2 2.0
!assign (resid 21   and name HB    )(resid 21   and name HG2#  )     4.0  2.2 2.0
assign (resid 21   and name HG1#  )(resid 22   and name HN    )     4.0  2.2 2.0
assign (resid 21   and name HG##  )(resid 22   and name HN    )     4.0  2.2 3.4
assign (resid 21   and name HG##  )(resid 23   and name HD1#  )     4.0  2.2 4.4
assign (resid 21   and name HG##  )(resid 68   and name HB#   )     4.0  2.2 4.4
assign (resid 21   and name HG1#  )(resid 68   and name HG2   )     4.0  2.2 2.0
assign (resid 21   and name HG1#  )(resid 68   and name HG1   )     4.0  2.2 2.0
assign (resid 21   and name HG2#  )(resid 68   and name HG2   )     4.0  2.2 2.0
assign (resid 21   and name HG2#  )(resid 68   and name HG1   )     4.0  2.2 2.0
assign (resid 21   and name HG1#  )(resid 68   and name HD#   )     4.0  2.2 3.0
assign (resid 21   and name HG2#  )(resid 68   and name HD#   )     4.0  2.2 3.0
assign (resid 21   and name HG##  )(resid 69   and name HN    )     4.0  2.2 3.4
assign (resid 21   and name HG1#  )(resid 70   and name HG2   )     4.0  2.2 2.0
assign (resid 21   and name HG1#  )(resid 70   and name HG1   )     4.0  2.2 2.0
assign (resid 21   and name HG2#  )(resid 70   and name HG2   )     4.0  2.2 2.0
assign (resid 21   and name HG2#  )(resid 70   and name HG1   )     4.0  2.2 2.0
assign (resid 21   and name HG##  )(resid 70   and name HD#   )     4.0  2.2 4.4
!M22
assign (resid 22   and name HN    )(resid 22   and name HA    )     4.0  2.2 1.0
assign (resid 22   and name HN    )(resid 22   and name HB2   )     4.0  2.2 1.0
assign (resid 22   and name HN    )(resid 22   and name HB1   )     4.0  2.2 1.0
assign (resid 22   and name HN    )(resid 22   and name HG#   )     4.0  2.2 2.0
assign (resid 22   and name HN    )(resid 23   and name HN    )     4.0  2.2 1.0
assign (resid 22   and name HN    )(resid 69   and name HN    )     4.0  2.2 1.0
assign (resid 22   and name HN    )(resid 69   and name HB#   )     4.0  2.2 2.0
!assign (resid 22   and name HA    )(resid 22   and name HB2   )     4.0  2.2 1.0
!assign (resid 22   and name HA    )(resid 22   and name HB1   )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 22   and name HG2   )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 22   and name HG1   )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 23   and name HN    )     4.0  2.2 1.0
!assign (resid 22   and name HB2   )(resid 22   and name HB1   )     4.0  2.2 1.0
!assign (resid 22   and name HB1   )(resid 22   and name HB2   )     4.0  2.2 1.0
!assign (resid 22   and name HB2   )(resid 22   and name HG#   )     4.0  2.2 2.0
!assign (resid 22   and name HB1   )(resid 22   and name HG#   )     4.0  2.2 2.0
assign (resid 22   and name HB#   )(resid 23   and name HN    )     4.0  2.2 2.0
assign (resid 22   and name HB#   )(resid 71   and name HE#   )     4.0  2.2 4.0
!assign (resid 22   and name HG2   )(resid 22   and name HG1   )     4.0  2.2 1.0
!assign (resid 22   and name HG1   )(resid 22   and name HG2   )     4.0  2.2 1.0
assign (resid 22   and name HG#   )(resid 23   and name HA    )     4.0  2.2 2.0
assign (resid 22   and name HG2   )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 22   and name HG1   )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 22   and name HG2   )(resid 69   and name HB#   )     4.0  2.2 2.0
assign (resid 22   and name HG1   )(resid 69   and name HB#   )     4.0  2.2 2.0
assign (resid 22   and name HG2   )(resid 71   and name HD#   )     4.0  2.2 3.0
assign (resid 22   and name HG1   )(resid 71   and name HD#   )     4.0  2.2 3.0
assign (resid 22   and name HG2   )(resid 71   and name HE#   )     4.0  2.2 3.0
assign (resid 22   and name HG1   )(resid 71   and name HE#   )     4.0  2.2 3.0
!I23
assign (resid 23   and name HN    )(resid 23   and name HA    )     4.0  2.2 1.0
assign (resid 23   and name HN    )(resid 23   and name HB    )     4.0  2.2 1.0
assign (resid 23   and name HN    )(resid 23   and name HG1#  )     4.0  2.2 2.0
assign (resid 23   and name HN    )(resid 23   and name HG2#  )     4.0  2.2 2.0
assign (resid 23   and name HN    )(resid 23   and name HD1#  )     4.0  2.2 2.0
assign (resid 23   and name HN    )(resid 24   and name HN    )     4.0  2.2 1.0
!assign (resid 23   and name HA    )(resid 23   and name HB    )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 23   and name HG1#  )     4.0  2.2 2.0
assign (resid 23   and name HA    )(resid 23   and name HG2#  )     4.0  2.2 1.6
assign (resid 23   and name HA    )(resid 23   and name HD1#  )     4.0  2.2 2.0
assign (resid 23   and name HA    )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 24   and name HG1#  )     4.0  2.2 2.0
assign (resid 23   and name HA    )(resid 68   and name HA    )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 69   and name HN    )     4.0  2.2 1.0
!assign (resid 23   and name HB    )(resid 23   and name HG1#  )     4.0  2.2 2.0
!assign (resid 23   and name HB    )(resid 23   and name HG2#  )     4.0  2.2 2.0
assign (resid 23   and name HB    )(resid 23   and name HD1#  )     4.0  2.2 2.0
!assign (resid 23   and name HG12  )(resid 23   and name HG11  )     4.0  2.2 1.0
!assign (resid 23   and name HG11  )(resid 23   and name HG12  )     4.0  2.2 1.0
assign (resid 23   and name HG12  )(resid 23   and name HG2#  )     4.0  2.2 2.0
assign (resid 23   and name HG11  )(resid 23   and name HG2#  )     4.0  2.2 2.0
!assign (resid 23   and name HG12  )(resid 23   and name HD1#  )     4.0  2.2 2.0
!assign (resid 23   and name HG11  )(resid 23   and name HD1#  )     4.0  2.2 2.0
assign (resid 23   and name HG1#  )(resid 68   and name HA    )     4.0  2.2 2.0
assign (resid 23   and name HG2#  )(resid 23   and name HD1#  )     4.0  2.2 3.0
assign (resid 23   and name HG2#  )(resid 24   and name HN    )     4.0  2.2 2.0
assign (resid 23   and name HG2#  )(resid 24   and name HA    )     4.0  2.2 2.0
assign (resid 23   and name HG2#  )(resid 61   and name HB#   )     4.0  2.2 3.0
assign (resid 23   and name HG2#  )(resid 66   and name HB#   )     4.0  2.2 3.0
assign (resid 23   and name HG2#  )(resid 67   and name HN    )     4.0  2.2 2.0
assign (resid 23   and name HD1#  )(resid 24   and name HN    )     4.0  2.2 2.0
assign (resid 23   and name HD1#  )(resid 68   and name HA    )     4.0  2.2 2.0
! assign (resid 23   and name HD1#  )(resid 66   and name HN    )     4.0  2.2 2.0 !!! violated by new structure !!!
assign (resid 23   and name HD1#  )(resid 66   and name HB#   )     4.0  2.2 3.0

!I24
assign (resid 24   and name HN    )(resid 24   and name HA    )     4.0  2.2 1.0
assign (resid 24   and name HN    )(resid 24   and name HB    )     3.0  1.2 0.5
assign (resid 24   and name HN    )(resid 24   and name HG1#  )     4.0  2.2 2.0
assign (resid 24   and name HN    )(resid 24   and name HG2#  )     4.0  2.2 2.0
assign (resid 24   and name HN    )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 24   and name HN    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HN    )(resid 67   and name HG2#  )     4.0  2.2 2.0
assign (resid 24   and name HN    )(resid 68   and name HA    )     4.0  2.2 1.0
!assign (resid 24   and name HA    )(resid 24   and name HB    )     4.0  2.2 1.0
assign (resid 24   and name HA    )(resid 24   and name HG1#  )     4.0  2.2 2.0
assign (resid 24   and name HA    )(resid 24   and name HG2#  )     4.0  2.2 1.6
assign (resid 24   and name HA    )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 24   and name HA    )(resid 25   and name HN    )     3.0  1.2 0.5
!assign (resid 24   and name HB    )(resid 24   and name HG1#  )     4.0  2.2 2.0
!assign (resid 24   and name HB    )(resid 24   and name HG2#  )     4.0  2.2 2.0
assign (resid 24   and name HB    )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 24   and name HB    )(resid 67   and name HG2#  )     4.0  2.2 2.0
!assign (resid 24   and name HG12  )(resid 24   and name HG11  )     4.0  2.2 1.0
!assign (resid 24   and name HG11  )(resid 24   and name HG12  )     4.0  2.2 1.0
assign (resid 24   and name HG12  )(resid 24   and name HG2#  )     4.0  2.2 2.0
assign (resid 24   and name HG11  )(resid 24   and name HG2#  )     4.0  2.2 2.0
!assign (resid 24   and name HG12  )(resid 24   and name HD1#  )     4.0  2.2 2.0
!assign (resid 24   and name HG11  )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 24   and name HG2#  )(resid 24   and name HD1#  )     4.0  2.2 3.0
assign (resid 24   and name HG2#  )(resid 25   and name HN    )     4.0  2.2 2.0
assign (resid 24   and name HG2#  )(resid 25   and name HA    )     4.0  2.2 2.0
assign (resid 24   and name HG2#  )(resid 26   and name HB#   )     4.0  2.2 3.0
assign (resid 24   and name HG2#  )(resid 26   and name HD#   )     4.0  2.2 3.0
assign (resid 24   and name HG2#  )(resid 67   and name HG2#  )     4.0  2.2 3.0
assign (resid 24   and name HG2#  )(resid 84   and name HG2#  )     4.0  2.2 3.0
assign (resid 24   and name HG2#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
assign (resid 24   and name HD1#  )(resid 57   and name HG1#  )     4.0  2.2 3.0
assign (resid 24   and name HD1#  )(resid 69   and name HB#   )     4.0  2.2 3.0
assign (resid 24   and name HD1#  )(resid 84   and name HB    )     4.0  2.2 2.0
assign (resid 24   and name HD1#  )(resid 84   and name HG2#  )     4.0  2.2 3.0
assign (resid 24   and name HD1#  )(resid 71   and name HE#   )     4.0  2.2 4.0
assign (resid 24   and name HD1#  )(resid 71   and name HZ    )     4.0  2.2 2.0
!K25
assign (resid 25   and name HN    )(resid 25   and name HA    )     4.0  2.2 1.0
assign (resid 25   and name HN    )(resid 25   and name HB2   )     3.0  1.2 0.5
assign (resid 25   and name HN    )(resid 25   and name HB1   )     3.0  1.2 0.5
assign (resid 25   and name HN    )(resid 25   and name HG#   )     4.0  2.2 2.0
assign (resid 25   and name HN    )(resid 26   and name HD#   )     4.0  2.2 2.0
!assign (resid 25   and name HA    )(resid 25   and name HB#   )     4.0  2.2 2.0
assign (resid 25   and name HA    )(resid 25   and name HG#   )     4.0  2.2 2.0
assign (resid 25   and name HA    )(resid 26   and name HD2   )     4.0  2.2 1.0
assign (resid 25   and name HA    )(resid 26   and name HD1   )     4.0  2.2 1.0
assign (resid 25   and name HA    )(resid 66   and name HA    )     4.0  2.2 1.0
assign (resid 25   and name HA    )(resid 66   and name HB#   )     4.0  2.2 2.0
assign (resid 25   and name HA    )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 25   and name HA    )(resid 67   and name HG1#  )     4.0  2.2 2.0
assign (resid 25   and name HA    )(resid 67   and name HG2#  )     4.0  2.2 2.0
!assign (resid 25   and name HB2   )(resid 25   and name HB1   )     4.0  2.2 1.0
!assign (resid 25   and name HB1   )(resid 25   and name HB2   )     4.0  2.2 1.0
!assign (resid 25   and name HB#   )(resid 25   and name HG#   )     4.0  2.2 3.0
assign (resid 25   and name HB#   )(resid 26   and name HD#   )     4.0  2.2 3.0
assign (resid 25   and name HB#   )(resid 66   and name HN    )     4.0  2.2 2.0
assign (resid 25   and name HG#   )(resid 26   and name HD2   )     4.0  2.2 2.0
assign (resid 25   and name HG#   )(resid 26   and name HD1   )     4.0  2.2 2.0
assign (resid 25   and name HG#   )(resid 66   and name HN    )     4.0  2.2 2.0
!P26
!assign (resid 26   and name HA    )(resid 26   and name HB2   )     4.0  2.2 1.0
!assign (resid 26   and name HA    )(resid 26   and name HB1   )     4.0  2.2 1.0
assign (resid 26   and name HA    )(resid 27   and name HN    )     3.0  1.2 0.5
!assign (resid 26   and name HB2   )(resid 26   and name HB1   )     4.0  2.2 1.0
!assign (resid 26   and name HB1   )(resid 26   and name HB2   )     4.0  2.2 1.0
!assign (resid 26   and name HB2   )(resid 26   and name HG#   )     4.0  2.2 2.0
!assign (resid 26   and name HB1   )(resid 26   and name HG#   )     4.0  2.2 2.0
!assign (resid 26   and name HB#   )(resid 26   and name HD2   )     4.0  2.2 2.0
!assign (resid 26   and name HB#   )(resid 26   and name HD1   )     4.0  2.2 2.0
assign (resid 26   and name HB#   )(resid 29   and name HB    )     4.0  2.2 2.0
assign (resid 26   and name HB2   )(resid 29   and name HG2#  )     4.0  2.2 2.0
assign (resid 26   and name HB1   )(resid 29   and name HG2#  )     4.0  2.2 2.0
assign (resid 26   and name HB#   )(resid 38   and name HD1#  )     4.0  2.2 3.0
assign (resid 26   and name HB2   )(resid 86   and name HD1#  )     4.0  2.2 2.0
assign (resid 26   and name HB1   )(resid 86   and name HD1#  )     4.0  2.2 2.0
!assign (resid 26   and name HG2   )(resid 26   and name HG1   )     4.0  2.2 1.0
!assign (resid 26   and name HG1   )(resid 26   and name HG2   )     4.0  2.2 1.0
!assign (resid 26   and name HG2   )(resid 26   and name HD2   )     4.0  2.2 1.0
!assign (resid 26   and name HG2   )(resid 26   and name HD1   )     4.0  2.2 1.0
!assign (resid 26   and name HG1   )(resid 26   and name HD2   )     4.0  2.2 1.0
!assign (resid 26   and name HG1   )(resid 26   and name HD1   )     4.0  2.2 1.0
assign (resid 26   and name HG2   )(resid 29   and name HG1#  )     4.0  2.2 2.0
assign (resid 26   and name HG2   )(resid 29   and name HG2#  )     4.0  2.2 2.0
assign (resid 26   and name HG1   )(resid 29   and name HG1#  )     4.0  2.2 2.0
assign (resid 26   and name HG1   )(resid 29   and name HG2#  )     4.0  2.2 2.0
assign (resid 26   and name HG#   )(resid 35   and name HB#   )     4.0  2.2 3.0
assign (resid 26   and name HG2   )(resid 38   and name HD1#  )     4.0  2.2 2.0
assign (resid 26   and name HG1   )(resid 38   and name HD1#  )     4.0  2.2 2.0
assign (resid 26   and name HG#   )(resid 57   and name HD1#  )     4.0  2.2 3.0
assign (resid 26   and name HG2   )(resid 67   and name HG1#  )     4.0  2.2 2.0
assign (resid 26   and name HG2   )(resid 67   and name HG2#  )     4.0  2.2 2.0
assign (resid 26   and name HG1   )(resid 67   and name HG2#  )     4.0  2.2 2.0
!assign (resid 26   and name HD2   )(resid 26   and name HD1   )     4.0  2.2 1.0
!assign (resid 26   and name HD1   )(resid 26   and name HD2   )     4.0  2.2 1.0
assign (resid 26   and name HD2   )(resid 66   and name HA    )     4.0  2.2 1.0
assign (resid 26   and name HD1   )(resid 66   and name HA    )     4.0  2.2 1.0
assign (resid 26   and name HD#   )(resid 67   and name HN    )     4.0  2.2 2.0
assign (resid 26   and name HD#   )(resid 67   and name HG2#  )     4.0  2.2 3.0
assign (resid 26   and name HD#   )(resid 66   and name HB#   )     4.0  2.2 3.0
!L27
assign (resid 27   and name HN    )(resid 27   and name HA    )     4.0  2.2 1.0
assign (resid 27   and name HN    )(resid 27   and name HB2   )     3.0  1.2 0.5
assign (resid 27   and name HN    )(resid 27   and name HB1   )     3.0  1.2 0.5
assign (resid 27   and name HN    )(resid 27   and name HG    )     4.0  2.2 1.0
assign (resid 27   and name HN    )(resid 27   and name HD1#  )     4.0  2.2 2.0
!assign (resid 27   and name HA    )(resid 27   and name HB2   )     4.0  2.2 1.0
!assign (resid 27   and name HA    )(resid 27   and name HB1   )     4.0  2.2 1.0
assign (resid 27   and name HA    )(resid 27   and name HG    )     4.0  2.2 1.0
assign (resid 27   and name HA    )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 27   and name HA    )(resid 27   and name HD2#  )     4.0  2.2 2.0
assign (resid 27   and name HA    )(resid 28   and name HN    )     3.0  1.2 0.5
!assign (resid 27   and name HB2   )(resid 27   and name HB1   )     3.0  1.2 0.5
!assign (resid 27   and name HB1   )(resid 27   and name HB2   )     3.0  1.2 0.5
!assign (resid 27   and name HB2   )(resid 27   and name HG    )     4.0  2.2 1.0
!assign (resid 27   and name HB1   )(resid 27   and name HG    )     4.0  2.2 1.0
assign (resid 27   and name HB2   )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 27   and name HB2   )(resid 27   and name HD2#  )     4.0  2.2 2.0
assign (resid 27   and name HB1   )(resid 27   and name HD1#  )     4.0  2.2 2.0
assign (resid 27   and name HB1   )(resid 27   and name HD2#  )     4.0  2.2 2.0
assign (resid 27   and name HB2   )(resid 28   and name HN    )     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 HB#   )(resid 29   and name HG2#  )     4.0  2.2 3.0
!assign (resid 27   and name HG    )(resid 27   and name HD1#  )     4.0  2.2 2.0
!assign (resid 27   and name HG    )(resid 27   and name HD2#  )     4.0  2.2 2.0
!assign (resid 27   and name HD1#  )(resid 27   and name HD2#  )     4.0  2.2 3.0
assign (resid 27   and name HD2#  )(resid 28   and name HN    )     4.0  2.2 2.0
assign (resid 27   and name HD1#  )(resid 83   and name HD#   )     4.0  2.2 4.0
assign (resid 27   and name HD1#  )(resid 83   and name HE#   )     4.0  2.2 4.0
assign (resid 27   and name HD2#  )(resid 83   and name HE#   )     4.0  2.2 4.0
!D28
assign (resid 28   and name HN    )(resid 28   and name HA    )     4.0  2.2 1.0
assign (resid 28   and name HN    )(resid 28   and name HB2   )     4.0  2.2 1.0
assign (resid 28   and name HN    )(resid 28   and name HB1   )     4.0  2.2 1.0
assign (resid 28   and name HN    )(resid 29   and name HN    )     4.0  2.2 1.0
assign (resid 28   and name HN    )(resid 29   and name HG2#  )     4.0  2.2 2.0
!assign (resid 28   and name HA    )(resid 28   and name HB2   )     4.0  2.2 1.0
!assign (resid 28   and name HA    )(resid 28   and name HB1   )     4.0  2.2 1.0
assign (resid 28   and name HA    )(resid 29   and name HN    )     4.0  2.2 1.0
assign (resid 28   and name HA    )(resid 30   and name HB#   )     4.0  2.2 2.0
assign (resid 28   and name HA    )(resid 30   and name HD21  )     4.0  2.2 1.0
assign (resid 28   and name HA    )(resid 30   and name HD22  )     4.0  2.2 1.0
!assign (resid 28   and name HB2   )(resid 28   and name HB1   )     3.0  1.2 0.5
!assign (resid 28   and name HB1   )(resid 28   and name HB2   )     3.0  1.2 0.5
assign (resid 28   and name HB2   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 28   and name HB2   )(resid 30   and name HA    )     4.0  2.2 1.0
assign (resid 28   and name HB2   )(resid 30   and name HB2   )     4.0  2.2 1.0
assign (resid 28   and name HB2   )(resid 30   and name HB1   )     4.0  2.2 1.0
assign (resid 28   and name HB1   )(resid 30   and name HB1   )     4.0  2.2 1.0
assign (resid 28   and name HB2   )(resid 30   and name HD2#  )     4.0  2.2 2.0
!V29
assign (resid 29   and name HN    )(resid 29   and name HA    )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 29   and name HB    )     3.0  1.2 0.5
assign (resid 29   and name HN    )(resid 29   and name HG1#  )     4.0  2.2 2.0
assign (resid 29   and name HN    )(resid 29   and name HG2#  )     4.0  2.2 2.0
assign (resid 29   and name HN    )(resid 30   and name HN    )     4.0  2.2 1.0
!assign (resid 29   and name HA    )(resid 29   and name HB    )     4.0  2.2 1.0
assign (resid 29   and name HA    )(resid 29   and name HG1#  )     4.0  2.2 2.0
assign (resid 29   and name HA    )(resid 29   and name HG2#  )     4.0  2.2 2.0
assign (resid 29   and name HA    )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HA    )(resid 31   and name HN    )     4.0  2.2 1.0
!assign (resid 29   and name HB    )(resid 29   and name HG1#  )     4.0  2.2 2.0
!assign (resid 29   and name HB    )(resid 29   and name HG2#  )     4.0  2.2 2.0
assign (resid 29   and name HB    )(resid 30   and name HN    )     4.0  2.2 1.0
!assign (resid 29   and name HG1#  )(resid 29   and name HG2#  )     4.0  2.2 3.0
assign (resid 29   and name HG1#  )(resid 30   and name HN    )     4.0  2.2 2.0
assign (resid 29   and name HG2#  )(resid 30   and name HN    )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 31   and name HN    )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 32   and name HA    )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 34   and name HA    )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 34   and name HB2   )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 34   and name HB1   )     4.0  2.2 2.0
assign (resid 29   and name HG2#  )(resid 34   and name HB2   )     4.0  2.2 2.0
assign (resid 29   and name HG2#  )(resid 34   and name HB1   )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 34   and name HG#   )     4.0  2.2 3.0
assign (resid 29   and name HG2#  )(resid 34   and name HG#   )     4.0  2.2 3.0
assign (resid 29   and name HG1#  )(resid 35   and name HN    )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 35   and name HA    )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 35   and name HB#   )     4.0  2.2 3.0
assign (resid 29   and name HG2#  )(resid 35   and name HB#   )     4.0  2.2 3.0
assign (resid 29   and name HG1#  )(resid 38   and name HB#   )     4.0  2.2 3.0
assign (resid 29   and name HG1#  )(resid 38   and name HD2#  )     4.0  2.2 3.0
assign (resid 29   and name HG2#  )(resid 38   and name HD1#  )     4.0  2.2 3.0
assign (resid 29   and name HG1#  )(resid 65   and name HN    )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 65   and name HA2   )     4.0  2.2 2.0
assign (resid 29   and name HG1#  )(resid 65   and name HA1   )     4.0  2.2 2.0
!N30
assign (resid 30   and name HN    )(resid 30   and name HA    )     4.0  2.2 1.0
assign (resid 30   and name HN    )(resid 30   and name HB2   )     4.0  2.2 1.0
assign (resid 30   and name HN    )(resid 30   and name HB1   )     4.0  2.2 1.0
assign (resid 30   and name HN    )(resid 31   and name HN    )     3.0  1.2 0.5
!assign (resid 30   and name HA    )(resid 30   and name HB2   )     4.0  2.2 1.0
!assign (resid 30   and name HA    )(resid 30   and name HB1   )     4.0  2.2 1.0
assign (resid 30   and name HA    )(resid 31   and name HN    )     3.0  1.2 0.5
assign (resid 30   and name HA    )(resid 65   and name HA#   )     4.0  2.2 2.0
!assign (resid 30   and name HB2   )(resid 30   and name HB1   )     4.0  2.2 1.0
!assign (resid 30   and name HB1   )(resid 30   and name HB2   )     4.0  2.2 1.0
assign (resid 30   and name HB2   )(resid 30   and name HD2#  )     4.0  2.2 2.0
assign (resid 30   and name HB2   )(resid 30   and name HD22  )     4.0  2.2 1.0
assign (resid 30   and name HB1   )(resid 30   and name HD21  )     4.0  2.2 1.0
assign (resid 30   and name HB1   )(resid 30   and name HD22  )     4.0  2.2 1.0
!assign (resid 30   and name HD21  )(resid 30   and name HD22  )     4.0  2.2 1.0
!assign (resid 30   and name HD22  )(resid 30   and name HD21  )     4.0  2.2 1.0
!S31
assign (resid 31   and name HN    )(resid 31   and name HA    )     3.0  1.2 0.5
assign (resid 31   and name HN    )(resid 31   and name HB2   )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 31   and name HB1   )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 34   and name HB2   )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 34   and name HB1   )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 35   and name HB#   )     4.0  2.2 2.0
!assign (resid 31   and name HA    )(resid 31   and name HB2   )     3.0  1.2 0.5
!assign (resid 31   and name HA    )(resid 31   and name HB1   )     3.0  1.2 0.5
assign (resid 31   and name HA    )(resid 32   and name HN    )     2.5  0.7 0.4
assign (resid 31   and name HA    )(resid 32   and name HA    )     4.0  2.2 1.0
assign (resid 31   and name HA    )(resid 33   and name HN    )     3.0  1.2 0.5
assign (resid 31   and name HA    )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HA    )(resid 35   and name HB#   )     4.0  2.2 2.0
assign (resid 31   and name HA    )(resid 64   and name HA    )     4.0  2.2 1.0
!assign (resid 31   and name HB2   )(resid 31   and name HB1   )     3.0  1.2 0.5
!assign (resid 31   and name HB1   )(resid 31   and name HB2   )     3.0  1.2 0.5
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 HN    )     4.0  2.2 1.0
assign (resid 31   and name HB#   )(resid 33   and name HN    )     4.0  2.2 2.0
assign (resid 31   and name HB#   )(resid 34   and name HN    )     4.0  2.2 2.0
assign (resid 31   and name HB#   )(resid 35   and name HB#   )     4.0  2.2 3.0
!R32
assign (resid 32   and name HN    )(resid 32   and name HA    )     3.0  1.2 0.5
assign (resid 32   and name HN    )(resid 32   and name HB2   )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 32   and name HB1   )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 32   and name HG#   )     4.0  2.2 2.0
assign (resid 32   and name HN    )(resid 32   and name HD#   )     4.0  2.2 2.0
assign (resid 32   and name HN    )(resid 33   and name HN    )     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 HB#   )     4.0  2.2 2.0
!assign (resid 32   and name HA    )(resid 32   and name HB2   )     4.0  2.2 1.0
!assign (resid 32   and name HA    )(resid 32   and name HB1   )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 32   and name HG#   )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 32   and name HD#   )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 33   and name HN    )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 35   and name HB#   )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 36   and name HN    )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 60   and name HG1#  )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 60   and name HG2#  )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 63   and name HA    )     4.0  2.2 1.0
!assign (resid 32   and name HB2   )(resid 32   and name HB1   )     4.0  2.2 1.0
!assign (resid 32   and name HB1   )(resid 32   and name HB2   )     4.0  2.2 1.0
!assign (resid 32   and name HB2   )(resid 32   and name HG#   )     4.0  2.2 2.0
!assign (resid 32   and name HB1   )(resid 32   and name HG#   )     4.0  2.2 2.0
assign (resid 32   and name HB2   )(resid 32   and name HD#   )     4.0  2.2 2.0
assign (resid 32   and name HB1   )(resid 32   and name HD#   )     4.0  2.2 2.0
assign (resid 32   and name HB#   )(resid 33   and name HN    )     4.0  2.2 2.0
assign (resid 32   and name HB#   )(resid 35   and name HB#   )     4.0  2.2 3.0
assign (resid 32   and name HB2   )(resid 63   and name HA    )     4.0  2.2 1.0
assign (resid 32   and name HB1   )(resid 63   and name HA    )     4.0  2.2 1.0
assign (resid 32   and name HB2   )(resid 63   and name HG2#  )     4.0  2.2 2.0
assign (resid 32   and name HB1   )(resid 63   and name HG2#  )     4.0  2.2 2.0
!assign (resid 32   and name HG#   )(resid 32   and name HD#   )     4.0  2.2 3.0
assign (resid 32   and name HG#   )(resid 33   and name HN    )     4.0  2.2 2.0
assign (resid 32   and name HG#   )(resid 33   and name HA    )     4.0  2.2 2.0
assign (resid 32   and name HG#   )(resid 35   and name HB#   )     4.0  2.2 3.0
assign (resid 32   and name HG#   )(resid 36   and name HB#   )     4.0  2.2 3.0
assign (resid 32   and name HG#   )(resid 60   and name HG1#  )     4.0  2.2 3.0
assign (resid 32   and name HG#   )(resid 60   and name HG2#  )     4.0  2.2 3.0
assign (resid 32   and name HG#   )(resid 63   and name HA    )     4.0  2.2 2.0
assign (resid 32   and name HG#   )(resid 63   and name HB    )     4.0  2.2 2.0
assign (resid 32   and name HG#   )(resid 63   and name HG2#  )     4.0  2.2 3.0
assign (resid 32   and name HD#   )(resid 60   and name HG1#  )     4.0  2.2 3.0
assign (resid 32   and name HD#   )(resid 63   and name HA    )     4.0  2.2 2.0
assign (resid 32   and name HD#   )(resid 63   and name HG2#  )     4.0  2.2 3.0
!E33
assign (resid 33   and name HN    )(resid 33   and name HA    )     3.0  1.2 0.5
assign (resid 33   and name HN    )(resid 33   and name HB2   )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 33   and name HB1   )     3.0  1.2 0.5
assign (resid 33   and name HN    )(resid 33   and name HG2   )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 33   and name HG1   )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 34   and name HN    )     3.0  1.2 0.5
!assign (resid 33   and name HA    )(resid 33   and name HB2   )     4.0  2.2 1.0
!assign (resid 33   and name HA    )(resid 33   and name HB1   )     4.0  2.2 1.0
assign (resid 33   and name HA    )(resid 33   and name HG2   )     4.0  2.2 1.0
assign (resid 33   and name HA    )(resid 33   and name HG1   )     4.0  2.2 1.0
assign (resid 33   and name HA    )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 33   and name HA    )(resid 36   and name HN    )     4.0  2.2 1.0
assign (resid 33   and name HA    )(resid 36   and name HB#   )     2.5  0.7 1.4
!assign (resid 33   and name HB2   )(resid 33   and name HB1   )     3.0  1.2 0.5
!assign (resid 33   and name HB1   )(resid 33   and name HB2   )     3.0  1.2 0.5
!assign (resid 33   and name HB2   )(resid 33   and name HG2   )     4.0  2.2 1.0
!assign (resid 33   and name HB2   )(resid 33   and name HG1   )     4.0  2.2 1.0
!assign (resid 33   and name HB1   )(resid 33   and name HG2   )     4.0  2.2 1.0
!assign (resid 33   and name HB1   )(resid 33   and name HG1   )     4.0  2.2 1.0
assign (resid 33   and name HB2   )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 33   and name HB1   )(resid 34   and name HN    )     4.0  2.2 1.0
!assign (resid 33   and name HG2   )(resid 33   and name HG1   )     4.0  2.2 1.0
!assign (resid 33   and name HG1   )(resid 33   and name HG2   )     4.0  2.2 1.0
!E34
assign (resid 34   and name HN    )(resid 34   and name HA    )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HB2   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HG2   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HG1   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 35   and name HN    )     3.0  1.2 0.5
assign (resid 34   and name HN    )(resid 35   and name HB#   )     4.0  2.2 2.0
assign (resid 34   and name HN    )(resid 36   and name HN    )     4.0  2.2 1.0
!assign (resid 34   and name HA    )(resid 34   and name HB2   )     4.0  2.2 1.0
!assign (resid 34   and name HA    )(resid 34   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 34   and name HG2   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 34   and name HG1   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 37   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 37   and name HB2   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 37   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 37   and name HG2   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 37   and name HG1   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 37   and name HD#   )     4.0  2.2 2.0
assign (resid 34   and name HA    )(resid 37   and name HE#   )     4.0  2.2 2.0
!assign (resid 34   and name HB2   )(resid 34   and name HB1   )     4.0  2.2 1.0
!assign (resid 34   and name HB1   )(resid 34   and name HB2   )     4.0  2.2 1.0
!assign (resid 34   and name HB2   )(resid 34   and name HG2   )     4.0  2.2 1.0
!assign (resid 34   and name HB2   )(resid 34   and name HG1   )     4.0  2.2 1.0
!assign (resid 34   and name HB1   )(resid 34   and name HG2   )     4.0  2.2 1.0
!assign (resid 34   and name HB1   )(resid 34   and name HG1   )     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 HN    )     4.0  2.2 1.0
assign (resid 34   and name HB#   )(resid 35   and name HB#   )     4.0  2.2 3.0
!assign (resid 34   and name HG2   )(resid 34   and name HG1   )     4.0  2.2 1.0
!assign (resid 34   and name HG1   )(resid 34   and name HG2   )     4.0  2.2 1.0
assign (resid 34   and name HG2   )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HG1   )(resid 35   and name HN    )     4.0  2.2 1.0
!A35
assign (resid 35   and name HN    )(resid 35   and name HA    )     4.0  2.2 1.0
assign (resid 35   and name HN    )(resid 35   and name HB#   )     4.0  2.2 1.6
assign (resid 35   and name HN    )(resid 36   and name HN    )     3.0  1.2 0.5
!assign (resid 35   and name HA    )(resid 35   and name HB#   )     4.0  2.2 1.2
assign (resid 35   and name HA    )(resid 36   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HA    )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HA    )(resid 38   and name HB#   )     4.0  2.2 2.0
assign (resid 35   and name HA    )(resid 38   and name HG    )     4.0  2.2 1.0
assign (resid 35   and name HA    )(resid 38   and name HD1#  )     4.0  2.2 2.0
assign (resid 35   and name HA    )(resid 38   and name HD2#  )     4.0  2.2 2.0
assign (resid 35   and name HB#   )(resid 36   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HB#   )(resid 38   and name HD1#  )     4.0  2.2 3.0
assign (resid 35   and name HB#   )(resid 38   and name HD2#  )     4.0  2.2 3.0
assign (resid 35   and name HB#   )(resid 60   and name HA    )     4.0  2.2 2.0
assign (resid 35   and name HB#   )(resid 60   and name HB    )     4.0  2.2 2.0
assign (resid 35   and name HB#   )(resid 60   and name HG1#  )     4.0  2.2 3.0
assign (resid 35   and name HB#   )(resid 60   and name HG2#  )     4.0  2.2 3.0
assign (resid 35   and name HB#   )(resid 65   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HB#   )(resid 65   and name HA2   )     4.0  2.2 2.0
assign (resid 35   and name HB#   )(resid 65   and name HA1   )     4.0  2.2 2.0
assign (resid 35   and name HB#   )(resid 67   and name HG1#  )     4.0  2.2 3.0
!S36
assign (resid 36   and name HN    )(resid 36   and name HA    )     3.0  1.2 0.5
assign (resid 36   and name HN    )(resid 36   and name HB#   )     4.0  2.2 2.0
assign (resid 36   and name HN    )(resid 37   and name HN    )     3.0  1.2 0.5
assign (resid 36   and name HN    )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 60   and name HG1#  )     4.0  2.2 2.0
!assign (resid 36   and name HA    )(resid 36   and name HB#   )     3.0  1.2 1.5
assign (resid 36   and name HA    )(resid 37   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 39   and name HB    )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 39   and name HG12  )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 39   and name HG11  )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 36   and name HA    )(resid 60   and name HG1#  )     4.0  2.2 2.0
assign (resid 36   and name HA    )(resid 60   and name HG2#  )     4.0  2.2 2.0
assign (resid 36   and name HB#   )(resid 37   and name HN    )     3.0  1.2 1.5
assign (resid 36   and name HB#   )(resid 60   and name HG1#  )     4.0  2.2 3.0
!K37
assign (resid 37   and name HN    )(resid 37   and name HA    )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 37   and name HB2   )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 37   and name HB1   )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 37   and name HG2   )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 37   and name HG1   )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 37   and name HD#   )     4.0  2.2 2.0
assign (resid 37   and name HN    )(resid 38   and name HN    )     3.0  1.2 0.5
assign (resid 37   and name HN    )(resid 38   and name HD2#  )     4.0  2.2 2.0
assign (resid 37   and name HN    )(resid 39   and name HN    )     4.0  2.2 1.0
!assign (resid 37   and name HA    )(resid 37   and name HB2   )     4.0  2.2 1.0
!assign (resid 37   and name HA    )(resid 37   and name HB1   )     4.0  2.2 1.0
assign (resid 37   and name HA    )(resid 37   and name HG2   )     4.0  2.2 1.0
assign (resid 37   and name HA    )(resid 37   and name HG1   )     4.0  2.2 1.0
assign (resid 37   and name HA    )(resid 37   and name HD#   )     4.0  2.2 2.0
assign (resid 37   and name HA    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 37   and name HA    )(resid 39   and name HB    )     4.0  2.2 1.0
!assign (resid 37   and name HB2   )(resid 37   and name HB1   )     4.0  2.2 1.0
!assign (resid 37   and name HB1   )(resid 37   and name HB2   )     4.0  2.2 1.0
!assign (resid 37   and name HB2   )(resid 37   and name HG2   )     4.0  2.2 1.0
!assign (resid 37   and name HB2   )(resid 37   and name HG1   )     4.0  2.2 1.0
!assign (resid 37   and name HB1   )(resid 37   and name HG2   )     4.0  2.2 1.0
!assign (resid 37   and name HB1   )(resid 37   and name HG1   )     4.0  2.2 1.0
assign (resid 37   and name HB2   )(resid 37   and name HD#   )     4.0  2.2 2.0
assign (resid 37   and name HB1   )(resid 37   and name HD#   )     4.0  2.2 2.0
assign (resid 37   and name HB#   )(resid 37   and name HE#   )     4.0  2.2 3.0
assign (resid 37   and name HB#   )(resid 38   and name HN    )     4.0  2.2 2.0
!assign (resid 37   and name HG2   )(resid 37   and name HG1   )     4.0  2.2 1.0
!assign (resid 37   and name HG1   )(resid 37   and name HG2   )     4.0  2.2 1.0
!assign (resid 37   and name HG2   )(resid 37   and name HD#   )     4.0  2.2 2.0
!assign (resid 37   and name HG1   )(resid 37   and name HD#   )     4.0  2.2 2.0
assign (resid 37   and name HG#   )(resid 37   and name HE#   )     4.0  2.2 3.0
!assign (resid 37   and name HD#   )(resid 37   and name HE#   )     4.0  2.2 3.0
!L38
assign (resid 38   and name HN    )(resid 38   and name HA    )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 38   and name HB2   )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 38   and name HB1   )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 38   and name HG    )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 38   and name HD1#  )     4.0  2.2 2.0
assign (resid 38   and name HN    )(resid 38   and name HD2#  )     4.0  2.2 2.0
assign (resid 38   and name HN    )(resid 39   and name HN    )     3.0  1.2 0.5
!assign (resid 38   and name HA    )(resid 38   and name HB2   )     4.0  2.2 1.0
!assign (resid 38   and name HA    )(resid 38   and name HB1   )     4.0  2.2 1.0
assign (resid 38   and name HA    )(resid 38   and name HG    )     4.0  2.2 1.0
assign (resid 38   and name HA    )(resid 38   and name HD1#  )     4.0  2.2 2.0
assign (resid 38   and name HA    )(resid 38   and name HD2#  )     4.0  2.2 2.0
assign (resid 38   and name HA    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HA    )(resid 39   and name HA    )     4.0  2.2 1.0
assign (resid 38   and name HA    )(resid 41   and name HB#   )     4.0  2.2 2.0
!assign (resid 38   and name HB2   )(resid 38   and name HB1   )     4.0  2.2 1.0
!assign (resid 38   and name HB1   )(resid 38   and name HB2   )     4.0  2.2 1.0
!assign (resid 38   and name HB2   )(resid 38   and name HG    )     4.0  2.2 1.0
!assign (resid 38   and name HB1   )(resid 38   and name HG    )     4.0  2.2 1.0
assign (resid 38   and name HB2   )(resid 38   and name HD1#  )     4.0  2.2 2.0
assign (resid 38   and name HB2   )(resid 38   and name HD2#  )     4.0  2.2 2.0
assign (resid 38   and name HB1   )(resid 38   and name HD1#  )     4.0  2.2 2.0
assign (resid 38   and name HB1   )(resid 38   and name HD2#  )     4.0  2.2 2.0
assign (resid 38   and name HB2   )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HB1   )(resid 39   and name HN    )     4.0  2.2 1.0
!assign (resid 38   and name HG    )(resid 38   and name HD1#  )     4.0  2.2 2.0
!assign (resid 38   and name HG    )(resid 38   and name HD2#  )     4.0  2.2 2.0
!assign (resid 38   and name HD1#  )(resid 38   and name HD2#  )     4.0  2.2 3.0
assign (resid 38   and name HD2#  )(resid 39   and name HN    )     4.0  2.2 2.0
assign (resid 38   and name HD2#  )(resid 39   and name HA    )     4.0  2.2 2.0
assign (resid 38   and name HD2#  )(resid 39   and name HB    )     4.0  2.2 2.0
assign (resid 38   and name HD2#  )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 38   and name HD1#  )(resid 41   and name HB2   )     4.0  2.2 2.0
assign (resid 38   and name HD1#  )(resid 41   and name HB1   )     4.0  2.2 2.0
assign (resid 38   and name HD2#  )(resid 57   and name HG2#  )     4.0  2.2 3.0
assign (resid 38   and name HD2#  )(resid 57   and name HD1#  )     4.0  2.2 3.0
assign (resid 38   and name HD2#  )(resid 67   and name HG1#  )     4.0  2.2 3.0
assign (resid 38   and name HD1#  )(resid 86   and name HG2#  )     4.0  2.2 3.0
assign (resid 38   and name HD1#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
!I39
assign (resid 39   and name HN    )(resid 39   and name HA    )     3.0  1.2 0.5
assign (resid 39   and name HN    )(resid 39   and name HB    )     2.5  0.7 0.4
assign (resid 39   and name HN    )(resid 39   and name HG12  )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 39   and name HG11  )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 39   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HN    )(resid 39   and name HD1#  )     4.0  2.2 2.0
!assign (resid 39   and name HA    )(resid 39   and name HB    )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 39   and name HG12  )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 39   and name HG11  )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 39   and name HG2#  )     4.0  2.2 1.6
assign (resid 39   and name HA    )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 39   and name HA    )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 57   and name HB    )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 57   and name HG2#  )     4.0  2.2 2.0
!assign (resid 39   and name HB    )(resid 39   and name HG12  )     4.0  2.2 1.0
!assign (resid 39   and name HB    )(resid 39   and name HG11  )     4.0  2.2 1.0
!assign (resid 39   and name HB    )(resid 39   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HB    )(resid 39   and name HD1#  )     4.0  2.2 2.0
!assign (resid 39   and name HG12  )(resid 39   and name HG11  )     4.0  2.2 1.0
!assign (resid 39   and name HG11  )(resid 39   and name HG12  )     4.0  2.2 1.0
assign (resid 39   and name HG12  )(resid 39   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HG11  )(resid 39   and name HG2#  )     4.0  2.2 2.0
!assign (resid 39   and name HG12  )(resid 39   and name HD1#  )     4.0  2.2 2.0
!assign (resid 39   and name HG11  )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 39   and name HG12  )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HG11  )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HG12  )(resid 59   and name HA    )     4.0  2.2 1.0
assign (resid 39   and name HG11  )(resid 59   and name HA    )     4.0  2.2 1.0
assign (resid 39   and name HG2#  )(resid 39   and name HD1#  )     4.0  2.2 3.0
assign (resid 39   and name HG2#  )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 40   and name HA2   )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 40   and name HA1   )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 41   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 57   and name HG2#  )     4.0  2.2 3.0
assign (resid 39   and name HG2#  )(resid 59   and name HA    )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 57   and name HG2#  )     4.0  2.2 3.0
assign (resid 39   and name HD1#  )(resid 59   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 59   and name HA    )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 59   and name HB#   )     4.0  2.2 3.0
assign (resid 39   and name HD1#  )(resid 60   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 60   and name HB    )     4.0  2.2 2.0
!G40
assign (resid 40   and name HN    )(resid 40   and name HA2   )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 40   and name HA1   )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 57   and name HB    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 40   and name HN    )(resid 57   and name HD1#  )     4.0  2.2 2.0
!assign (resid 40   and name HA2   )(resid 40   and name HA1   )     2.5  0.7 0.4
!assign (resid 40   and name HA1   )(resid 40   and name HA2   )     2.5  0.7 0.4
assign (resid 40   and name HA2   )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HA1   )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HA2   )(resid 56   and name HG#   )     4.0  2.2 2.0
assign (resid 40   and name HA1   )(resid 56   and name HG#   )     4.0  2.2 2.0
assign (resid 40   and name HA2   )(resid 56   and name HE#   )     4.0  2.2 2.0
assign (resid 40   and name HA1   )(resid 56   and name HE#   )     4.0  2.2 2.0
assign (resid 40   and name HA#   )(resid 57   and name HG2#  )     4.0  2.2 3.0
!R41
assign (resid 41   and name HN    )(resid 41   and name HA    )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HB2   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HB1   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HG2   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HG1   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 57   and name HB    )     3.0  1.2 0.5
assign (resid 41   and name HN    )(resid 57   and name HG1#  )     4.0  2.2 2.0
assign (resid 41   and name HN    )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 41   and name HN    )(resid 57   and name HD1#  )     4.0  2.2 2.0
!assign (resid 41   and name HA    )(resid 41   and name HB2   )     4.0  2.2 1.0
!assign (resid 41   and name HA    )(resid 41   and name HB1   )     4.0  2.2 1.0
assign (resid 41   and name HA    )(resid 41   and name HG2   )     4.0  2.2 1.0
assign (resid 41   and name HA    )(resid 41   and name HG1   )     4.0  2.2 1.0
assign (resid 41   and name HA    )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HA    )(resid 86   and name HG2#  )     4.0  2.2 2.0
!assign (resid 41   and name HB2   )(resid 41   and name HB1   )     4.0  2.2 1.0
!assign (resid 41   and name HB1   )(resid 41   and name HB2   )     4.0  2.2 1.0
!assign (resid 41   and name HB2   )(resid 41   and name HG#   )     4.0  2.2 2.0
!assign (resid 41   and name HB1   )(resid 41   and name HG#   )     4.0  2.2 2.0
assign (resid 41   and name HB#   )(resid 41   and name HD#   )     4.0  2.2 3.0
assign (resid 41   and name HB2   )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HB1   )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HB#   )(resid 42   and name HA    )     4.0  2.2 2.0
assign (resid 41   and name HB2   )(resid 57   and name HD1#  )     4.0  2.2 2.0
assign (resid 41   and name HB1   )(resid 57   and name HD1#  )     4.0  2.2 2.0
assign (resid 41   and name HB2   )(resid 86   and name HG2#  )     4.0  2.2 2.0
assign (resid 41   and name HB1   )(resid 86   and name HG2#  )     4.0  2.2 2.0
!assign (resid 41   and name HG#   )(resid 41   and name HD#   )     4.0  2.2 3.0
assign (resid 41   and name HG#   )(resid 42   and name HN    )     4.0  2.2 2.0
assign (resid 41   and name HG#   )(resid 86   and name HG2#  )     4.0  2.2 3.0
assign (resid 41   and name HD#   )(resid 42   and name HB#   )     4.0  2.2 3.0
!L42
assign (resid 42   and name HN    )(resid 42   and name HB2   )     3.0  1.2 0.5
assign (resid 42   and name HN    )(resid 42   and name HB1   )     3.0  1.2 0.5
assign (resid 42   and name HN    )(resid 42   and name HG    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 42   and name HD1#  )     4.0  2.2 2.0
assign (resid 42   and name HN    )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 42   and name HN    )(resid 43   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 86   and name HG2#  )     4.0  2.2 2.0
!assign (resid 42   and name HA    )(resid 42   and name HB2   )     4.0  2.2 1.0
!assign (resid 42   and name HA    )(resid 42   and name HB1   )     4.0  2.2 1.0
assign (resid 42   and name HA    )(resid 42   and name HG    )     4.0  2.2 1.0
assign (resid 42   and name HA    )(resid 42   and name HD1#  )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 43   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HA    )(resid 43   and name HG2#  )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 56   and name HA    )     4.0  2.2 1.0
assign (resid 42   and name HA    )(resid 56   and name HB#   )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 56   and name HG#   )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 57   and name HN    )     4.0  2.2 1.0
!assign (resid 42   and name HB2   )(resid 42   and name HB1   )     4.0  2.2 1.0
!assign (resid 42   and name HB1   )(resid 42   and name HB2   )     4.0  2.2 1.0
!assign (resid 42   and name HB2   )(resid 42   and name HG    )     4.0  2.2 1.0
!assign (resid 42   and name HB1   )(resid 42   and name HG    )     4.0  2.2 1.0
assign (resid 42   and name HB2   )(resid 42   and name HD1#  )     4.0  2.2 2.0
assign (resid 42   and name HB2   )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 42   and name HB1   )(resid 42   and name HD1#  )     4.0  2.2 2.0
assign (resid 42   and name HB1   )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 42   and name HB#   )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 42   and name HB#   )(resid 56   and name HE#   )     4.0  2.2 3.0
!assign (resid 42   and name HG    )(resid 42   and name HD1#  )     4.0  2.2 2.0
!assign (resid 42   and name HG    )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 42   and name HG    )(resid 43   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HG    )(resid 43   and name HA    )     4.0  2.2 1.0
!assign (resid 42   and name HD1#  )(resid 42   and name HD2#  )     4.0  2.2 3.0
assign (resid 42   and name HD1#  )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 42   and name HD2#  )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 42   and name HD2#  )(resid 44   and name HD##  )     4.0  2.2 4.4
assign (resid 42   and name HD1#  )(resid 54   and name HA    )     4.0  2.2 2.0
assign (resid 42   and name HD1#  )(resid 54   and name HB#   )     4.0  2.2 3.0
assign (resid 42   and name HD2#  )(resid 54   and name HB#   )     4.0  2.2 3.0
assign (resid 42   and name HD2#  )(resid 54   and name HG#   )     4.0  2.2 3.0
assign (resid 42   and name HD1#  )(resid 54   and name HD#   )     4.0  2.2 3.0
assign (resid 42   and name HD2#  )(resid 54   and name HD#   )     4.0  2.2 3.0
assign (resid 42   and name HD1#  )(resid 55   and name HN    )     4.0  2.2 2.0
assign (resid 42   and name HD1#  )(resid 56   and name HA    )     4.0  2.2 2.0
assign (resid 42   and name HD1#  )(resid 56   and name HB#   )     4.0  2.2 3.0
assign (resid 42   and name HD1#  )(resid 56   and name HG#   )     4.0  2.2 3.0
assign (resid 42   and name HD1#  )(resid 56   and name HE#   )     4.0  2.2 3.0
!V43
assign (resid 43   and name HN    )(resid 43   and name HA    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 43   and name HB    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 43   and name HG1#  )     4.0  2.2 2.0
assign (resid 43   and name HN    )(resid 43   and name HG2#  )     4.0  2.2 2.0
assign (resid 43   and name HN    )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 56   and name HA    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 56   and name HG#   )     4.0  2.2 2.0
!assign (resid 43   and name HA    )(resid 43   and name HB    )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 43   and name HG1#  )     4.0  2.2 2.0
assign (resid 43   and name HA    )(resid 43   and name HG2#  )     4.0  2.2 2.0
assign (resid 43   and name HA    )(resid 44   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 85   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 86   and name HG1#  )     4.0  2.2 2.0
assign (resid 43   and name HA    )(resid 86   and name HG2#  )     4.0  2.2 2.0
assign (resid 43   and name HA    )(resid 86   and name HD1#  )     4.0  2.2 2.0
!assign (resid 43   and name HB    )(resid 43   and name HG1#  )     4.0  2.2 2.0
!assign (resid 43   and name HB    )(resid 43   and name HG2#  )     4.0  2.2 2.0
assign (resid 43   and name HB    )(resid 44   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB    )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB    )(resid 71   and name HZ    )     4.0  2.2 1.0
assign (resid 43   and name HG1#  )(resid 44   and name HN    )     4.0  2.2 2.0
assign (resid 43   and name HG2#  )(resid 44   and name HN    )     4.0  2.2 2.0
assign (resid 43   and name HG2#  )(resid 56   and name HN    )     4.0  2.2 2.0
assign (resid 43   and name HG1#  )(resid 56   and name HA    )     4.0  2.2 2.0
assign (resid 43   and name HG2#  )(resid 56   and name HA    )     4.0  2.2 2.0
assign (resid 43   and name HG1#  )(resid 56   and name HG#   )     4.0  2.2 3.0
assign (resid 43   and name HG1#  )(resid 57   and name HN    )     4.0  2.2 2.0
assign (resid 43   and name HG1#  )(resid 57   and name HA    )     4.0  2.2 2.0
assign (resid 43   and name HG1#  )(resid 57   and name HG1#  )     4.0  2.2 3.0
assign (resid 43   and name HG2#  )(resid 57   and name HG1#  )     4.0  2.2 3.0
assign (resid 43   and name HG1#  )(resid 57   and name HD1#  )     4.0  2.2 3.0
assign (resid 43   and name HG1#  )(resid 69   and name HB#   )     4.0  2.2 3.0
assign (resid 43   and name HG2#  )(resid 69   and name HB#   )     4.0  2.2 3.0
assign (resid 43   and name HG1#  )(resid 84   and name HB    )     4.0  2.2 2.0
assign (resid 43   and name HG2#  )(resid 84   and name HB    )     4.0  2.2 2.0
assign (resid 43   and name HG2#  )(resid 71   and name HE#   )     4.0  2.2 4.0
assign (resid 43   and name HG1#  )(resid 71   and name HZ    )     4.0  2.2 2.0
assign (resid 43   and name HG2#  )(resid 71   and name HZ    )     4.0  2.2 2.0
!L44
assign (resid 44   and name HN    )(resid 44   and name HA    )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 44   and name HB2   )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 44   and name HB1   )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 44   and name HG    )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 44   and name HD##  )     4.0  2.2 2.7
assign (resid 44   and name HN    )(resid 85   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 86   and name HA    )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 86   and name HG2#  )     4.0  2.2 2.0
assign (resid 44   and name HN    )(resid 87   and name HN    )     4.0  2.2 1.0
!assign (resid 44   and name HA    )(resid 44   and name HB2   )     4.0  2.2 1.0
!assign (resid 44   and name HA    )(resid 44   and name HB1   )     4.0  2.2 1.0
assign (resid 44   and name HA    )(resid 44   and name HG    )     4.0  2.2 1.0
assign (resid 44   and name HA    )(resid 44   and name HD##  )     4.0  2.2 2.7
assign (resid 44   and name HA    )(resid 45   and name HN    )     3.0  1.2 0.5
assign (resid 44   and name HA    )(resid 52   and name HG2#  )     4.0  2.2 2.0
!assign (resid 44   and name HB2   )(resid 44   and name HB1   )     4.0  2.2 1.0
!assign (resid 44   and name HB1   )(resid 44   and name HB2   )     4.0  2.2 1.0
!assign (resid 44   and name HB2   )(resid 44   and name HG    )     4.0  2.2 1.0
!assign (resid 44   and name HB1   )(resid 44   and name HG    )     4.0  2.2 1.0
assign (resid 44   and name HB2   )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 44   and name HB1   )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 44   and name HB2   )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HB1   )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HB#   )(resid 54   and name HG#   )     4.0  2.2 3.0
assign (resid 44   and name HB#   )(resid 85   and name HB#   )     4.0  2.2 3.0
assign (resid 44   and name HB#   )(resid 87   and name HG2#  )     4.0  2.2 3.0
assign (resid 44   and name HB#   )(resid 87   and name HG1#  )     4.0  2.2 3.0
!assign (resid 44   and name HG    )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 44   and name HG    )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HG    )(resid 54   and name HG2   )     4.0  2.2 1.0
assign (resid 44   and name HG    )(resid 54   and name HG1   )     4.0  2.2 1.0
assign (resid 44   and name HD##  )(resid 45   and name HN    )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 52   and name HG2#  )     4.0  2.2 4.4
assign (resid 44   and name HD##  )(resid 54   and name HA    )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 54   and name HB2   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 54   and name HB1   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 54   and name HG2   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 54   and name HG1   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 54   and name HD#   )     4.0  2.2 4.4
assign (resid 44   and name HD##  )(resid 54   and name HE#   )     4.0  2.2 4.4
assign (resid 44   and name HD##  )(resid 85   and name HB#   )     4.0  2.2 4.4
assign (resid 44   and name HD##  )(resid 89   and name HN    )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 89   and name HB#   )     4.0  2.2 4.4
assign (resid 44   and name HD##  )(resid 89   and name HG#   )     4.0  2.2 4.4
!W45
assign (resid 45   and name HN    )(resid 45   and name HA    )     4.0  2.2 1.0
assign (resid 45   and name HN    )(resid 45   and name HB2   )     4.0  2.2 1.0
assign (resid 45   and name HN    )(resid 45   and name HB1   )     4.0  2.2 1.0
assign (resid 45   and name HN    )(resid 52   and name HG2#  )     4.0  2.2 2.0
assign (resid 45   and name HN    )(resid 53   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HN    )(resid 53   and name HB#   )     4.0  2.2 2.0
assign (resid 45   and name HN    )(resid 54   and name HA    )     4.0  2.2 1.0
!assign (resid 45   and name HA    )(resid 45   and name HB2   )     4.0  2.2 1.0
!assign (resid 45   and name HA    )(resid 45   and name HB1   )     4.0  2.2 1.0
assign (resid 45   and name HA    )(resid 46   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HA    )(resid 84   and name HG1#  )     4.0  2.2 2.0
assign (resid 45   and name HA    )(resid 45   and name HD1   )     4.0  2.2 1.0
assign (resid 45   and name HB2   )(resid 46   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HB1   )(resid 46   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HB#   )(resid 84   and name HA    )     4.0  2.2 2.0
assign (resid 45   and name HB2   )(resid 84   and name HG1#  )     4.0  2.2 2.0
assign (resid 45   and name HB1   )(resid 84   and name HG1#  )     4.0  2.2 2.0
assign (resid 45   and name HB#   )(resid 45   and name HD1   )     4.0  2.2 2.0
assign (resid 45   and name HB2   )(resid 45   and name HE3   )     4.0  2.2 1.0
assign (resid 45   and name HB1   )(resid 45   and name HE3   )     4.0  2.2 1.0
assign (resid 45   and name HB#   )(resid 71   and name HZ    )     4.0  2.2 2.0
!K46
assign (resid 46   and name HN    )(resid 46   and name HA    )     4.0  2.2 1.0
assign (resid 46   and name HN    )(resid 46   and name HB2   )     3.0  1.2 0.5
assign (resid 46   and name HN    )(resid 46   and name HB1   )     3.0  1.2 0.5
assign (resid 46   and name HN    )(resid 46   and name HG#   )     4.0  2.2 2.0
assign (resid 46   and name HN    )(resid 52   and name HG2#  )     4.0  2.2 2.0
assign (resid 46   and name HN    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 46   and name HA    )(resid 46   and name HB2   )     4.0  2.2 1.0
!assign (resid 46   and name HA    )(resid 46   and name HB1   )     4.0  2.2 1.0
assign (resid 46   and name HA    )(resid 46   and name HG2   )     4.0  2.2 1.0
assign (resid 46   and name HA    )(resid 46   and name HG1   )     4.0  2.2 1.0
assign (resid 46   and name HA    )(resid 46   and name HD#   )     4.0  2.2 2.0
assign (resid 46   and name HA    )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 46   and name HA    )(resid 52   and name HA    )     3.0  1.2 0.5
assign (resid 46   and name HA    )(resid 52   and name HG1#  )     4.0  2.2 2.0
assign (resid 46   and name HA    )(resid 52   and name HG2#  )     4.0  2.2 2.0
assign (resid 46   and name HA    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 46   and name HA    )(resid 53   and name HN    )     4.0  2.2 1.0
!assign (resid 46   and name HB2   )(resid 46   and name HB1   )     3.0  1.2 0.5
!assign (resid 46   and name HB1   )(resid 46   and name HB2   )     3.0  1.2 0.5
!assign (resid 46   and name HB2   )(resid 46   and name HG2   )     4.0  2.2 1.0
!assign (resid 46   and name HB2   )(resid 46   and name HG1   )     4.0  2.2 1.0
!assign (resid 46   and name HB1   )(resid 46   and name HG2   )     4.0  2.2 1.0
!assign (resid 46   and name HB1   )(resid 46   and name HG1   )     4.0  2.2 1.0
assign (resid 46   and name HB2   )(resid 46   and name HD#   )     4.0  2.2 2.0
assign (resid 46   and name HB1   )(resid 46   and name HD#   )     4.0  2.2 2.0
assign (resid 46   and name HB#   )(resid 46   and name HE#   )     4.0  2.2 3.0
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 HN    )     4.0  2.2 1.0
assign (resid 46   and name HB#   )(resid 52   and name HA    )     4.0  2.2 2.0
assign (resid 46   and name HB#   )(resid 52   and name HG1#  )     4.0  2.2 3.0
assign (resid 46   and name HB#   )(resid 52   and name HG2#  )     4.0  2.2 3.0
assign (resid 46   and name HB2   )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 46   and name HB1   )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 46   and name HG2   )(resid 46   and name HG1   )     4.0  2.2 1.0
!assign (resid 46   and name HG1   )(resid 46   and name HG2   )     4.0  2.2 1.0
!assign (resid 46   and name HG2   )(resid 46   and name HD#   )     4.0  2.2 2.0
!assign (resid 46   and name HG1   )(resid 46   and name HD#   )     4.0  2.2 2.0
assign (resid 46   and name HG#   )(resid 46   and name HE#   )     4.0  2.2 3.0
assign (resid 46   and name HG2   )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 46   and name HG1   )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 46   and name HG#   )(resid 52   and name HG2#  )     4.0  2.2 3.0
assign (resid 46   and name HG2   )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 46   and name HG1   )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 46   and name HD#   )(resid 46   and name HE#   )     4.0  2.2 3.0
assign (resid 46   and name HD#   )(resid 52   and name HG1#  )     4.0  2.2 3.0
assign (resid 46   and name HD#   )(resid 52   and name HD1#  )     4.0  2.2 3.0
!S47
assign (resid 47   and name HN    )(resid 47   and name HA    )     4.0  2.2 1.0
assign (resid 47   and name HN    )(resid 47   and name HB2   )     4.0  2.2 1.0
assign (resid 47   and name HN    )(resid 47   and name HB1   )     4.0  2.2 1.0
assign (resid 47   and name HN    )(resid 48   and name HD#   )     4.0  2.2 2.0
assign (resid 47   and name HN    )(resid 51   and name HN    )     4.0  2.2 1.0
assign (resid 47   and name HN    )(resid 52   and name HA    )     4.0  2.2 1.0
assign (resid 47   and name HN    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 47   and name HN    )(resid 53   and name HN    )     4.0  2.2 1.0
!assign (resid 47   and name HA    )(resid 47   and name HB2   )     4.0  2.2 1.0
!assign (resid 47   and name HA    )(resid 47   and name HB1   )     4.0  2.2 1.0
assign (resid 47   and name HA    )(resid 48   and name HD#   )     4.0  2.2 2.0
assign (resid 47   and name HA    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 47   and name HB2   )(resid 47   and name HB1   )     3.0  1.2 0.5
!assign (resid 47   and name HB1   )(resid 47   and name HB2   )     3.0  1.2 0.5
assign (resid 47   and name HB2   )(resid 48   and name HD#   )     4.0  2.2 2.0
assign (resid 47   and name HB1   )(resid 48   and name HD#   )     4.0  2.2 2.0
assign (resid 47   and name HB2   )(resid 53   and name HG    )     4.0  2.2 1.0
assign (resid 47   and name HB1   )(resid 53   and name HG    )     4.0  2.2 1.0
assign (resid 47   and name HB2   )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 47   and name HB1   )(resid 53   and name HD1#  )     4.0  2.2 2.0
!P48
!assign (resid 48   and name HA    )(resid 48   and name HB2   )     4.0  2.2 1.0
!assign (resid 48   and name HA    )(resid 48   and name HB1   )     4.0  2.2 1.0
!assign (resid 48   and name HA    )(resid 48   and name HG2   )     4.0  2.2 1.0
!assign (resid 48   and name HA    )(resid 48   and name HG1   )     4.0  2.2 1.0
!assign (resid 48   and name HA    )(resid 48   and name HD#   )     4.0  2.2 2.0
assign (resid 48   and name HA    )(resid 49   and name HA    )     4.0  2.2 1.0
assign (resid 48   and name HA    )(resid 50   and name HN    )     4.0  2.2 1.0
!assign (resid 48   and name HB2   )(resid 48   and name HB1   )     3.0  1.2 0.5
!assign (resid 48   and name HB1   )(resid 48   and name HB2   )     3.0  1.2 0.5
!assign (resid 48   and name HB2   )(resid 48   and name HG2   )     4.0  2.2 1.0
!assign (resid 48   and name HB2   )(resid 48   and name HG1   )     4.0  2.2 1.0
!assign (resid 48   and name HB1   )(resid 48   and name HG2   )     4.0  2.2 1.0
!assign (resid 48   and name HB1   )(resid 48   and name HG1   )     4.0  2.2 1.0
!assign (resid 48   and name HB2   )(resid 48   and name HD#   )     4.0  2.2 2.0
!assign (resid 48   and name HB1   )(resid 48   and name HD#   )     4.0  2.2 2.0
!assign (resid 48   and name HG2   )(resid 48   and name HG1   )     4.0  2.2 1.0
!assign (resid 48   and name HG1   )(resid 48   and name HG2   )     4.0  2.2 1.0
!assign (resid 48   and name HG2   )(resid 48   and name HD#   )     4.0  2.2 2.0
!assign (resid 48   and name HG1   )(resid 48   and name HD#   )     4.0  2.2 2.0
!S49
assign (resid 49   and name HN    )(resid 50   and name HN    )     4.0  2.2 1.0
!assign (resid 49   and name HA    )(resid 49   and name HB2   )     3.0  1.2 0.5
!assign (resid 49   and name HA    )(resid 49   and name HB1   )     3.0  1.2 0.5
assign (resid 49   and name HA    )(resid 50   and name HN    )     4.0  2.2 1.0
!assign (resid 49   and name HB2   )(resid 49   and name HB1   )     2.5  0.7 0.4
!assign (resid 49   and name HB1   )(resid 49   and name HB2   )     2.5  0.7 0.4
!G50
assign (resid 50   and name HN    )(resid 50   and name HA2   )     4.0  2.2 1.0
assign (resid 50   and name HN    )(resid 50   and name HA1   )     4.0  2.2 1.0
assign (resid 50   and name HN    )(resid 51   and name HN    )     2.5  0.7 0.4
assign (resid 50   and name HN    )(resid 51   and name HB#   )     4.0  2.2 2.0
!assign (resid 50   and name HA2   )(resid 50   and name HA1   )     4.0  2.2 1.0
!assign (resid 50   and name HA1   )(resid 50   and name HA2   )     4.0  2.2 1.0
assign (resid 50   and name HA2   )(resid 51   and name HN    )     4.0  2.2 1.0
assign (resid 50   and name HA1   )(resid 51   and name HN    )     4.0  2.2 1.0
!K51
assign (resid 51   and name HN    )(resid 51   and name HA    )     4.0  2.2 1.0
assign (resid 51   and name HN    )(resid 51   and name HB2   )     3.0  1.2 0.5
assign (resid 51   and name HN    )(resid 51   and name HB1   )     3.0  1.2 0.5
assign (resid 51   and name HN    )(resid 51   and name HG2   )     4.0  2.2 1.0
assign (resid 51   and name HN    )(resid 51   and name HG1   )     4.0  2.2 1.0
assign (resid 51   and name HN    )(resid 52   and name HN    )     4.0  2.2 1.0
!assign (resid 51   and name HA    )(resid 51   and name HB2   )     4.0  2.2 1.0
!assign (resid 51   and name HA    )(resid 51   and name HB1   )     4.0  2.2 1.0
assign (resid 51   and name HA    )(resid 51   and name HG2   )     4.0  2.2 1.0
assign (resid 51   and name HA    )(resid 51   and name HG1   )     4.0  2.2 1.0
assign (resid 51   and name HA    )(resid 51   and name HD#   )     4.0  2.2 2.0
assign (resid 51   and name HA    )(resid 51   and name HE#   )     4.0  2.2 2.0
assign (resid 51   and name HA    )(resid 52   and name HN    )     3.0  1.2 0.5
assign (resid 51   and name HA    )(resid 52   and name HG1#  )     4.0  2.2 2.0
assign (resid 51   and name HA    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 51   and name HB2   )(resid 51   and name HB1   )     3.0  1.2 0.5
!assign (resid 51   and name HB1   )(resid 51   and name HB2   )     3.0  1.2 0.5
!assign (resid 51   and name HB2   )(resid 51   and name HG2   )     4.0  2.2 1.0
!assign (resid 51   and name HB2   )(resid 51   and name HG1   )     4.0  2.2 1.0
!assign (resid 51   and name HB1   )(resid 51   and name HG2   )     4.0  2.2 1.0
!assign (resid 51   and name HB1   )(resid 51   and name HG1   )     4.0  2.2 1.0
assign (resid 51   and name HB2   )(resid 51   and name HD#   )     4.0  2.2 2.0
assign (resid 51   and name HB1   )(resid 51   and name HD#   )     4.0  2.2 2.0
assign (resid 51   and name HB2   )(resid 52   and name HN    )     4.0  2.2 1.0
assign (resid 51   and name HB1   )(resid 52   and name HN    )     4.0  2.2 1.0
assign (resid 51   and name HB#   )(resid 52   and name HD1#  )     4.0  2.2 3.0
assign (resid 51   and name HB#   )(resid 53   and name HD1#  )     4.0  2.2 3.0
assign (resid 51   and name HB2   )(resid 53   and name HD2#  )     4.0  2.2 2.0
assign (resid 51   and name HB1   )(resid 53   and name HD1#  )     4.0  2.2 2.0
!assign (resid 51   and name HG2   )(resid 51   and name HG1   )     4.0  2.2 1.0
!assign (resid 51   and name HG1   )(resid 51   and name HG2   )     4.0  2.2 1.0
!assign (resid 51   and name HG2   )(resid 51   and name HD#   )     4.0  2.2 2.0
!assign (resid 51   and name HG1   )(resid 51   and name HD#   )     4.0  2.2 2.0
assign (resid 51   and name HG2   )(resid 51   and name HE#   )     4.0  2.2 2.0
assign (resid 51   and name HG1   )(resid 51   and name HE#   )     4.0  2.2 2.0
assign (resid 51   and name HG#   )(resid 52   and name HN    )     4.0  2.2 2.0
assign (resid 51   and name HG2   )(resid 53   and name HD2#  )     4.0  2.2 2.0
assign (resid 51   and name HG1   )(resid 53   and name HD2#  )     4.0  2.2 2.0
!assign (resid 51   and name HD#   )(resid 51   and name HE#   )     4.0  2.2 3.0
assign (resid 51   and name HD#   )(resid 53   and name HD1#  )     4.0  2.2 3.0
assign (resid 51   and name HD#   )(resid 53   and name HD2#  )     4.0  2.2 3.0
assign (resid 51   and name HE#   )(resid 53   and name HD1#  )     4.0  2.2 3.0
assign (resid 51   and name HE#   )(resid 53   and name HD2#  )     4.0  2.2 3.0
!I52
assign (resid 52   and name HN    )(resid 52   and name HA    )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 52   and name HB    )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 52   and name HG12  )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 52   and name HG11  )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 52   and name HG2#  )     4.0  2.2 2.0
assign (resid 52   and name HN    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 52   and name HN    )(resid 53   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 53   and name HG    )     4.0  2.2 1.0
!assign (resid 52   and name HA    )(resid 52   and name HB    )     4.0  2.2 1.0
assign (resid 52   and name HA    )(resid 52   and name HG12  )     4.0  2.2 1.0
assign (resid 52   and name HA    )(resid 52   and name HG11  )     4.0  2.2 1.0
assign (resid 52   and name HA    )(resid 52   and name HG2#  )     4.0  2.2 1.6
assign (resid 52   and name HA    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 52   and name HA    )(resid 53   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HA    )(resid 53   and name HA    )     4.0  2.2 1.0
!assign (resid 52   and name HB    )(resid 52   and name HG12  )     4.0  2.2 1.0
!assign (resid 52   and name HB    )(resid 52   and name HG11  )     4.0  2.2 1.0
!assign (resid 52   and name HB    )(resid 52   and name HG2#  )     4.0  2.2 2.0
assign (resid 52   and name HB    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 52   and name HG12  )(resid 52   and name HG11  )     4.0  2.2 1.0
!assign (resid 52   and name HG11  )(resid 52   and name HG12  )     4.0  2.2 1.0
assign (resid 52   and name HG12  )(resid 52   and name HG2#  )     4.0  2.2 2.0
assign (resid 52   and name HG11  )(resid 52   and name HG2#  )     4.0  2.2 2.0
!assign (resid 52   and name HG12  )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 52   and name HG11  )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 52   and name HG2#  )(resid 52   and name HD1#  )     4.0  2.2 3.0
assign (resid 52   and name HG2#  )(resid 53   and name HN    )     4.0  2.2 2.0
assign (resid 52   and name HG2#  )(resid 54   and name HN    )     4.0  2.2 2.0
assign (resid 52   and name HG2#  )(resid 54   and name HG2   )     4.0  2.2 2.0
assign (resid 52   and name HG2#  )(resid 54   and name HG1   )     4.0  2.2 2.0
assign (resid 52   and name HG2#  )(resid 54   and name HD#   )     4.0  2.2 3.0
assign (resid 52   and name HG2#  )(resid 54   and name HE#   )     4.0  2.2 3.0
!L53
assign (resid 53   and name HN    )(resid 53   and name HA    )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 53   and name HB2   )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 53   and name HB1   )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 53   and name HG    )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 53   and name HN    )(resid 54   and name HN    )     4.0  2.2 1.0
!assign (resid 53   and name HA    )(resid 53   and name HB2   )     4.0  2.2 1.0
!assign (resid 53   and name HA    )(resid 53   and name HB1   )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 53   and name HG    )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 53   and name HA    )(resid 53   and name HD2#  )     4.0  2.2 2.0
assign (resid 53   and name HA    )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 54   and name HB#   )     4.0  2.2 2.0
!assign (resid 53   and name HB2   )(resid 53   and name HB1   )     4.0  2.2 1.0
!assign (resid 53   and name HB1   )(resid 53   and name HB2   )     4.0  2.2 1.0
!assign (resid 53   and name HB2   )(resid 53   and name HG    )     4.0  2.2 1.0
!assign (resid 53   and name HB1   )(resid 53   and name HG    )     4.0  2.2 1.0
assign (resid 53   and name HB2   )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 53   and name HB2   )(resid 53   and name HD2#  )     4.0  2.2 2.0
assign (resid 53   and name HB1   )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 53   and name HB1   )(resid 53   and name HD2#  )     4.0  2.2 2.0
assign (resid 53   and name HB2   )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HB1   )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HB2   )(resid 75   and name HD2#  )     4.0  2.2 2.0
assign (resid 53   and name HB1   )(resid 75   and name HD2#  )     4.0  2.2 2.0
assign (resid 53   and name HB2   )(resid 71   and name HD#   )     4.0  2.2 3.0
assign (resid 53   and name HB1   )(resid 71   and name HD#   )     4.0  2.2 3.0
assign (resid 53   and name HB2   )(resid 71   and name HE#   )     4.0  2.2 3.0
assign (resid 53   and name HB1   )(resid 71   and name HE#   )     4.0  2.2 3.0
!assign (resid 53   and name HG    )(resid 53   and name HD1#  )     4.0  2.2 2.0
!assign (resid 53   and name HG    )(resid 53   and name HD2#  )     4.0  2.2 2.0
assign (resid 53   and name HD1#  )(resid 54   and name HN    )     4.0  2.2 2.0
assign (resid 53   and name HD2#  )(resid 54   and name HN    )     4.0  2.2 2.0
assign (resid 53   and name HD2#  )(resid 71   and name HB#   )     4.0  2.2 3.0
assign (resid 53   and name HD2#  )(resid 73   and name HB#   )     4.0  2.2 3.0
assign (resid 53   and name HD2#  )(resid 73   and name HE#   )     4.0  2.2 3.0
assign (resid 53   and name HD1#  )(resid 75   and name HA    )     4.0  2.2 2.0
assign (resid 53   and name HD2#  )(resid 75   and name HA    )     4.0  2.2 2.0
assign (resid 53   and name HD1#  )(resid 75   and name HD1#  )     4.0  2.2 3.0
assign (resid 53   and name HD1#  )(resid 75   and name HD2#  )     4.0  2.2 3.0
assign (resid 53   and name HD2#  )(resid 75   and name HD2#  )     4.0  2.2 3.0
assign (resid 53   and name HD1#  )(resid 76   and name HD2   )     4.0  2.2 2.0
assign (resid 53   and name HD1#  )(resid 76   and name HD1   )     4.0  2.2 2.0
assign (resid 53   and name HD2#  )(resid 71   and name HD#   )     4.0  2.2 4.0
assign (resid 53   and name HD1#  )(resid 71   and name HE#   )     4.0  2.2 4.0
!K54
assign (resid 54   and name HN    )(resid 54   and name HA    )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 54   and name HB2   )     3.0  1.2 0.5
assign (resid 54   and name HN    )(resid 54   and name HB1   )     3.0  1.2 0.5
assign (resid 54   and name HN    )(resid 54   and name HG2   )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 54   and name HG1   )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 54   and name HD#   )     4.0  2.2 2.0
!assign (resid 54   and name HA    )(resid 54   and name HB2   )     4.0  2.2 1.0
!assign (resid 54   and name HA    )(resid 54   and name HB1   )     4.0  2.2 1.0
assign (resid 54   and name HA    )(resid 54   and name HG2   )     4.0  2.2 1.0
assign (resid 54   and name HA    )(resid 54   and name HG1   )     4.0  2.2 1.0
assign (resid 54   and name HA    )(resid 55   and name HN    )     3.0  1.2 0.5
!assign (resid 54   and name HB2   )(resid 54   and name HB1   )     4.0  2.2 1.0
!assign (resid 54   and name HB1   )(resid 54   and name HB2   )     4.0  2.2 1.0
!assign (resid 54   and name HB2   )(resid 54   and name HG2   )     4.0  2.2 1.0
!assign (resid 54   and name HB2   )(resid 54   and name HG1   )     4.0  2.2 1.0
!assign (resid 54   and name HB1   )(resid 54   and name HG2   )     4.0  2.2 1.0
!assign (resid 54   and name HB1   )(resid 54   and name HG1   )     4.0  2.2 1.0
assign (resid 54   and name HB#   )(resid 54   and name HD#   )     4.0  2.2 3.0
assign (resid 54   and name HB2   )(resid 54   and name HE2   )     4.0  2.2 1.0
assign (resid 54   and name HB2   )(resid 54   and name HE1   )     4.0  2.2 1.0
assign (resid 54   and name HB1   )(resid 54   and name HE2   )     4.0  2.2 1.0
assign (resid 54   and name HB1   )(resid 54   and name HE1   )     4.0  2.2 1.0
assign (resid 54   and name HB2   )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HB1   )(resid 55   and name HN    )     4.0  2.2 1.0
!assign (resid 54   and name HG2   )(resid 54   and name HG1   )     4.0  2.2 1.0
!assign (resid 54   and name HG1   )(resid 54   and name HG2   )     4.0  2.2 1.0
!assign (resid 54   and name HG2   )(resid 54   and name HD#   )     4.0  2.2 2.0
!assign (resid 54   and name HG1   )(resid 54   and name HD#   )     4.0  2.2 2.0
assign (resid 54   and name HG2   )(resid 54   and name HE#   )     4.0  2.2 2.0
assign (resid 54   and name HG1   )(resid 54   and name HE#   )     4.0  2.2 2.0
!assign (resid 54   and name HD#   )(resid 54   and name HE2   )     4.0  2.2 2.0
!assign (resid 54   and name HD#   )(resid 54   and name HE1   )     4.0  2.2 2.0
!G55
assign (resid 55   and name HN    )(resid 55   and name HA2   )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 55   and name HA1   )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 71   and name HE#   )     4.0  2.2 3.0
!assign (resid 55   and name HA2   )(resid 55   and name HA1   )     3.0  1.2 0.5
!assign (resid 55   and name HA1   )(resid 55   and name HA2   )     3.0  1.2 0.5
assign (resid 55   and name HA2   )(resid 56   and name HN    )     3.0  1.2 0.5
assign (resid 55   and name HA1   )(resid 56   and name HN    )     3.0  1.2 0.5
assign (resid 55   and name HA2   )(resid 71   and name HA    )     4.0  2.2 1.0
assign (resid 55   and name HA1   )(resid 71   and name HA    )     4.0  2.2 1.0
!K56
assign (resid 56   and name HN    )(resid 56   and name HA    )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 56   and name HB#   )     4.0  2.2 2.0
assign (resid 56   and name HN    )(resid 56   and name HG#   )     4.0  2.2 2.0
assign (resid 56   and name HN    )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 69   and name HB#   )     4.0  2.2 2.0
assign (resid 56   and name HN    )(resid 70   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 71   and name HA    )     4.0  2.2 1.0
!assign (resid 56   and name HA    )(resid 56   and name HB#   )     4.0  2.2 2.0
assign (resid 56   and name HA    )(resid 56   and name HG#   )     4.0  2.2 2.0
assign (resid 56   and name HA    )(resid 56   and name HE#   )     4.0  2.2 2.0
assign (resid 56   and name HA    )(resid 57   and name HN    )     3.0  1.2 0.5
!assign (resid 56   and name HB#   )(resid 56   and name HG#   )     4.0  2.2 3.0
assign (resid 56   and name HB#   )(resid 56   and name HD#   )     4.0  2.2 3.0
assign (resid 56   and name HB#   )(resid 56   and name HE#   )     4.0  2.2 3.0
assign (resid 56   and name HB#   )(resid 57   and name HN    )     4.0  2.2 2.0
assign (resid 56   and name HB#   )(resid 58   and name HG1#  )     4.0  2.2 3.0
!assign (resid 56   and name HG#   )(resid 56   and name HD#   )     4.0  2.2 3.0
assign (resid 56   and name HG#   )(resid 56   and name HE#   )     4.0  2.2 3.0
assign (resid 56   and name HG#   )(resid 57   and name HN    )     4.0  2.2 2.0
assign (resid 56   and name HG#   )(resid 57   and name HB    )     4.0  2.2 2.0
assign (resid 56   and name HG#   )(resid 58   and name HG1#  )     4.0  2.2 3.0
!assign (resid 56   and name HD#   )(resid 56   and name HE#   )     4.0  2.2 3.0
!I57
assign (resid 57   and name HN    )(resid 57   and name HA    )     4.0  2.2 1.0
assign (resid 57   and name HN    )(resid 57   and name HB    )     4.0  2.2 1.0
assign (resid 57   and name HN    )(resid 57   and name HG1#  )     4.0  2.2 2.0
assign (resid 57   and name HN    )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 57   and name HN    )(resid 57   and name HD1#  )     4.0  2.2 2.0
assign (resid 57   and name HN    )(resid 58   and name HN    )     4.0  2.2 1.0
!assign (resid 57   and name HA    )(resid 57   and name HB    )     4.0  2.2 1.0
assign (resid 57   and name HA    )(resid 57   and name HG1#  )     4.0  2.2 2.0
assign (resid 57   and name HA    )(resid 57   and name HG2#  )     4.0  2.2 1.6
assign (resid 57   and name HA    )(resid 57   and name HD1#  )     4.0  2.2 2.0
assign (resid 57   and name HA    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 57   and name HA    )(resid 58   and name HG2#  )     4.0  2.2 2.0
assign (resid 57   and name HA    )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 57   and name HA    )(resid 69   and name HA    )     4.0  2.2 1.0
assign (resid 57   and name HA    )(resid 69   and name HB#   )     4.0  2.2 2.0
assign (resid 57   and name HA    )(resid 70   and name HN    )     4.0  2.2 1.0
!assign (resid 57   and name HB    )(resid 57   and name HG1#  )     4.0  2.2 2.0
!assign (resid 57   and name HB    )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 57   and name HB    )(resid 57   and name HD1#  )     4.0  2.2 2.0
assign (resid 57   and name HB    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 57   and name HG1#  )(resid 57   and name HG2#  )     4.0  2.2 3.0
!assign (resid 57   and name HG1#  )(resid 57   and name HD1#  )     4.0  2.2 3.0
assign (resid 57   and name HG1#  )(resid 58   and name HN    )     4.0  2.2 2.0
assign (resid 57   and name HG1#  )(resid 67   and name HG2#  )     4.0  2.2 3.0
assign (resid 57   and name HG1#  )(resid 69   and name HB#   )     4.0  2.2 3.0
assign (resid 57   and name HG2#  )(resid 57   and name HD1#  )     4.0  2.2 3.0
assign (resid 57   and name HG2#  )(resid 58   and name HN    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 58   and name HA    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 59   and name HN    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 67   and name HB    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 67   and name HG1#  )     4.0  2.2 3.0
assign (resid 57   and name HG2#  )(resid 68   and name HN    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 69   and name HA    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 69   and name HB#   )     4.0  2.2 3.0
assign (resid 57   and name HD1#  )(resid 67   and name HG1#  )     4.0  2.2 3.0
assign (resid 57   and name HD1#  )(resid 67   and name HG2#  )     4.0  2.2 3.0
assign (resid 57   and name HD1#  )(resid 69   and name HB#   )     4.0  2.2 3.0
assign (resid 57   and name HD1#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
!V58
assign (resid 58   and name HN    )(resid 58   and name HA    )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 58   and name HB    )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 58   and name HG1#  )     4.0  2.2 2.0
assign (resid 58   and name HN    )(resid 58   and name HG2#  )     4.0  2.2 2.0
assign (resid 58   and name HN    )(resid 59   and name HN    )     3.0  1.2 0.5
assign (resid 58   and name HN    )(resid 69   and name HA    )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 69   and name HB#   )     4.0  2.2 2.0
assign (resid 58   and name HN    )(resid 70   and name HN    )     4.0  2.2 1.0
!assign (resid 58   and name HA    )(resid 58   and name HB    )     3.0  1.2 0.5
assign (resid 58   and name HA    )(resid 58   and name HG1#  )     4.0  2.2 2.0
assign (resid 58   and name HA    )(resid 58   and name HG2#  )     4.0  2.2 2.0
assign (resid 58   and name HA    )(resid 59   and name HN    )     4.0  2.2 1.0
!assign (resid 58   and name HB    )(resid 58   and name HG1#  )     4.0  2.2 2.0
!assign (resid 58   and name HB    )(resid 58   and name HG2#  )     4.0  2.2 2.0
assign (resid 58   and name HB    )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HB    )(resid 59   and name HG#   )     4.0  2.2 2.0
!assign (resid 58   and name HG1#  )(resid 58   and name HG2#  )     4.0  2.2 3.0
assign (resid 58   and name HG1#  )(resid 59   and name HN    )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 59   and name HN    )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 59   and name HB#   )     4.0  2.2 3.0
assign (resid 58   and name HG2#  )(resid 59   and name HG2   )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 59   and name HG1   )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 59   and name HD#   )     4.0  2.2 3.0
assign (resid 58   and name HG2#  )(resid 68   and name HA    )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 68   and name HB2   )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 68   and name HB1   )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 68   and name HG#   )     4.0  2.2 3.0
assign (resid 58   and name HG2#  )(resid 68   and name HD#   )     4.0  2.2 3.0
assign (resid 58   and name HG1#  )(resid 69   and name HA    )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 69   and name HA    )     4.0  2.2 2.0
assign (resid 58   and name HG1#  )(resid 70   and name HN    )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 70   and name HN    )     4.0  2.2 2.0
assign (resid 58   and name HG1#  )(resid 70   and name HB#   )     4.0  2.2 3.0
assign (resid 58   and name HG2#  )(resid 70   and name HB2   )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 70   and name HB1   )     4.0  2.2 2.0
assign (resid 58   and name HG2#  )(resid 70   and name HG#   )     4.0  2.2 3.0
assign (resid 58   and name HG1#  )(resid 70   and name HD#   )     4.0  2.2 3.0
assign (resid 58   and name HG2#  )(resid 70   and name HD#   )     4.0  2.2 3.0
!R59
assign (resid 59   and name HN    )(resid 59   and name HA    )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 59   and name HB#   )     4.0  2.2 2.0
assign (resid 59   and name HN    )(resid 59   and name HG#   )     4.0  2.2 2.0
assign (resid 59   and name HN    )(resid 60   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 68   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 68   and name HB2   )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 68   and name HB1   )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 69   and name HA    )     4.0  2.2 1.0
!assign (resid 59   and name HA    )(resid 59   and name HB2   )     4.0  2.2 1.0
!assign (resid 59   and name HA    )(resid 59   and name HB1   )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 59   and name HG2   )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 59   and name HG1   )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 59   and name HD#   )     4.0  2.2 2.0
assign (resid 59   and name HA    )(resid 60   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 60   and name HA    )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 60   and name HG1#  )     4.0  2.2 2.0
!assign (resid 59   and name HB2   )(resid 59   and name HB1   )     3.0  1.2 0.5
!assign (resid 59   and name HB1   )(resid 59   and name HB2   )     3.0  1.2 0.5
!assign (resid 59   and name HB2   )(resid 59   and name HG2   )     4.0  2.2 1.0
!assign (resid 59   and name HB2   )(resid 59   and name HG1   )     4.0  2.2 1.0
!assign (resid 59   and name HB1   )(resid 59   and name HG2   )     4.0  2.2 1.0
!assign (resid 59   and name HB1   )(resid 59   and name HG1   )     4.0  2.2 1.0
assign (resid 59   and name HB2   )(resid 59   and name HD#   )     4.0  2.2 2.0
assign (resid 59   and name HB1   )(resid 59   and name HD#   )     4.0  2.2 2.0
assign (resid 59   and name HB2   )(resid 60   and name HN    )     3.0  1.2 0.5
assign (resid 59   and name HB1   )(resid 60   and name HN    )     3.0  1.2 0.5
assign (resid 59   and name HB#   )(resid 60   and name HG1#  )     4.0  2.2 3.0
assign (resid 59   and name HB2   )(resid 68   and name HB#   )     4.0  2.2 2.0
assign (resid 59   and name HB1   )(resid 68   and name HB#   )     4.0  2.2 2.0
!assign (resid 59   and name HG2   )(resid 59   and name HG1   )     4.0  2.2 1.0
!assign (resid 59   and name HG1   )(resid 59   and name HG2   )     4.0  2.2 1.0
!assign (resid 59   and name HG2   )(resid 59   and name HD#   )     4.0  2.2 2.0
!assign (resid 59   and name HG1   )(resid 59   and name HD#   )     4.0  2.2 2.0
assign (resid 59   and name HG#   )(resid 60   and name HN    )     4.0  2.2 2.0
assign (resid 59   and name HD#   )(resid 68   and name HD2   )     4.0  2.2 2.0
assign (resid 59   and name HD#   )(resid 68   and name HD1   )     4.0  2.2 2.0
!V60
assign (resid 60   and name HN    )(resid 60   and name HA    )     4.0  2.2 1.0
assign (resid 60   and name HN    )(resid 60   and name HB    )     3.0  1.2 0.5
assign (resid 60   and name HN    )(resid 60   and name HG1#  )     4.0  2.2 2.0
assign (resid 60   and name HN    )(resid 60   and name HG2#  )     4.0  2.2 2.0
assign (resid 60   and name HN    )(resid 61   and name HN    )     4.0  2.2 1.0
!assign (resid 60   and name HA    )(resid 60   and name HB    )     4.0  2.2 1.0
assign (resid 60   and name HA    )(resid 60   and name HG1#  )     4.0  2.2 2.0
assign (resid 60   and name HA    )(resid 60   and name HG2#  )     4.0  2.2 2.0
assign (resid 60   and name HA    )(resid 61   and name HN    )     4.0  2.2 1.0
assign (resid 60   and name HA    )(resid 67   and name HA    )     3.0  1.2 0.5
assign (resid 60   and name HA    )(resid 67   and name HB    )     4.0  2.2 1.0
assign (resid 60   and name HA    )(resid 67   and name HG1#  )     4.0  2.2 2.0
assign (resid 60   and name HA    )(resid 68   and name HN    )     4.0  2.2 1.0
!assign (resid 60   and name HB    )(resid 60   and name HG1#  )     4.0  2.2 2.0
!assign (resid 60   and name HB    )(resid 60   and name HG2#  )     4.0  2.2 2.0
assign (resid 60   and name HB    )(resid 61   and name HN    )     4.0  2.2 1.0
assign (resid 60   and name HB    )(resid 67   and name HA    )     4.0  2.2 1.0
!assign (resid 60   and name HG1#  )(resid 60   and name HG2#  )     4.0  2.2 3.0
assign (resid 60   and name HG1#  )(resid 61   and name HN    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 61   and name HN    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 61   and name HA    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 62   and name HN    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 63   and name HA    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 63   and name HG2#  )     4.0  2.2 3.0
assign (resid 60   and name HG2#  )(resid 65   and name HN    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 65   and name HA#   )     4.0  2.2 3.0
assign (resid 60   and name HG1#  )(resid 67   and name HA    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 67   and name HA    )     4.0  2.2 2.0
assign (resid 60   and name HG2#  )(resid 67   and name HG1#  )     4.0  2.2 3.0
!H61
assign (resid 61   and name HN    )(resid 61   and name HB2   )     4.0  2.2 1.0
assign (resid 61   and name HN    )(resid 61   and name HB1   )     4.0  2.2 1.0
assign (resid 61   and name HN    )(resid 62   and name HN    )     4.0  2.2 1.0
assign (resid 61   and name HN    )(resid 66   and name HB#   )     4.0  2.2 2.0
assign (resid 61   and name HN    )(resid 67   and name HA    )     3.0  1.2 0.5
assign (resid 61   and name HN    )(resid 67   and name HB    )     4.0  2.2 1.0
assign (resid 61   and name HN    )(resid 67   and name HG1#  )     4.0  2.2 2.0
assign (resid 61   and name HN    )(resid 67   and name HG2#  )     4.0  2.2 2.0
assign (resid 61   and name HN    )(resid 68   and name HN    )     4.0  2.2 1.0
!assign (resid 61   and name HA    )(resid 61   and name HB2   )     4.0  2.2 1.0
!assign (resid 61   and name HA    )(resid 61   and name HB1   )     4.0  2.2 1.0
assign (resid 61   and name HA    )(resid 62   and name HN    )     3.0  1.2 0.5
assign (resid 61   and name HA    )(resid 62   and name HA2   )     4.0  2.2 1.0
assign (resid 61   and name HA    )(resid 62   and name HA1   )     4.0  2.2 1.0
assign (resid 61   and name HA    )(resid 63   and name HN    )     3.0  1.2 0.5
assign (resid 61   and name HA    )(resid 63   and name HG2#  )     4.0  2.2 2.0
!assign (resid 61   and name HB2   )(resid 61   and name HB1   )     4.0  2.2 1.0
!assign (resid 61   and name HB1   )(resid 61   and name HB2   )     4.0  2.2 1.0
assign (resid 61   and name HB2   )(resid 66   and name HB#   )     4.0  2.2 2.0
assign (resid 61   and name HB1   )(resid 66   and name HB#   )     4.0  2.2 2.0
assign (resid 61   and name HB2   )(resid 68   and name HB#   )     4.0  2.2 2.0
assign (resid 61   and name HB1   )(resid 68   and name HB#   )     4.0  2.2 2.0
!G62
assign (resid 62   and name HN    )(resid 62   and name HA2   )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 62   and name HA1   )     4.0  2.2 1.0
!assign (resid 62   and name HA2   )(resid 62   and name HA1   )     3.0  1.2 0.5
!assign (resid 62   and name HA1   )(resid 62   and name HA2   )     3.0  1.2 0.5
assign (resid 62   and name HA2   )(resid 63   and name HN    )     4.0  2.2 1.0
assign (resid 62   and name HA1   )(resid 63   and name HN    )     4.0  2.2 1.0
assign (resid 62   and name HA2   )(resid 63   and name HG2#  )     4.0  2.2 2.0
assign (resid 62   and name HA1   )(resid 63   and name HG2#  )     4.0  2.2 2.0
!T63
assign (resid 63   and name HN    )(resid 63   and name HA    )     4.0  2.2 1.0
assign (resid 63   and name HN    )(resid 63   and name HG2#  )     4.0  2.2 2.0
assign (resid 63   and name HN    )(resid 64   and name HN    )     4.0  2.2 1.0
!assign (resid 63   and name HA    )(resid 63   and name HB    )     4.0  2.2 1.0
assign (resid 63   and name HA    )(resid 63   and name HG2#  )     4.0  2.2 1.6
assign (resid 63   and name HA    )(resid 64   and name HN    )     4.0  2.2 1.0
assign (resid 63   and name HA    )(resid 64   and name HA    )     4.0  2.2 1.0
!assign (resid 63   and name HB    )(resid 63   and name HG2#  )     4.0  2.2 2.0
!K64
assign (resid 64   and name HN    )(resid 64   and name HA    )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HB2   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HB1   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HG2   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HG1   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 65   and name HN    )     3.0  1.2 0.5
!assign (resid 64   and name HA    )(resid 64   and name HB2   )     4.0  2.2 1.0
!assign (resid 64   and name HA    )(resid 64   and name HB1   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 64   and name HG2   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 64   and name HG1   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 64   and name HD#   )     4.0  2.2 2.0
assign (resid 64   and name HA    )(resid 65   and name HA#   )     4.0  2.2 1.6
!assign (resid 64   and name HB2   )(resid 64   and name HB1   )     3.0  1.2 0.5
!assign (resid 64   and name HB1   )(resid 64   and name HB2   )     3.0  1.2 0.5
!assign (resid 64   and name HB2   )(resid 64   and name HG2   )     4.0  2.2 1.0
!assign (resid 64   and name HB2   )(resid 64   and name HG1   )     4.0  2.2 1.0
!assign (resid 64   and name HB1   )(resid 64   and name HG2   )     4.0  2.2 1.0
!assign (resid 64   and name HB1   )(resid 64   and name HG1   )     4.0  2.2 1.0
assign (resid 64   and name HB2   )(resid 64   and name HD#   )     4.0  2.2 2.0
assign (resid 64   and name HB1   )(resid 64   and name HD#   )     4.0  2.2 2.0
!assign (resid 64   and name HG2   )(resid 64   and name HD#   )     4.0  2.2 2.0
!assign (resid 64   and name HG1   )(resid 64   and name HD#   )     4.0  2.2 2.0
!G65
assign (resid 65   and name HN    )(resid 65   and name HA2   )     4.0  2.2 1.0
assign (resid 65   and name HN    )(resid 65   and name HA1   )     4.0  2.2 1.0
assign (resid 65   and name HN    )(resid 66   and name HN    )     3.0  1.2 0.5
assign (resid 65   and name HN    )(resid 66   and name HB#   )     4.0  2.2 2.0
!assign (resid 65   and name HA2   )(resid 65   and name HA1   )     3.0  1.2 0.5
!assign (resid 65   and name HA1   )(resid 65   and name HA2   )     3.0  1.2 0.5
assign (resid 65   and name HA2   )(resid 66   and name HN    )     4.0  2.2 1.0
assign (resid 65   and name HA1   )(resid 66   and name HN    )     4.0  2.2 1.0
!A66
assign (resid 66   and name HN    )(resid 66   and name HB#   )     4.0  2.2 1.6
assign (resid 66   and name HN    )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 66   and name HN    )(resid 67   and name HG1#  )     4.0  2.2 2.0
!assign (resid 66   and name HA    )(resid 66   and name HB#   )     4.0  2.2 1.2
assign (resid 66   and name HA    )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 66   and name HB#   )(resid 67   and name HN    )     4.0  2.2 2.0
assign (resid 66   and name HB#   )(resid 67   and name HG1#  )     4.0  2.2 3.0
assign (resid 66   and name HB#   )(resid 67   and name HG2#  )     4.0  2.2 3.0
!V67
assign (resid 67   and name HN    )(resid 67   and name HA    )     4.0  2.2 1.0
assign (resid 67   and name HN    )(resid 67   and name HG1#  )     4.0  2.2 2.0
assign (resid 67   and name HN    )(resid 67   and name HG2#  )     4.0  2.2 2.0
!assign (resid 67   and name HA    )(resid 67   and name HB    )     4.0  2.2 1.0
assign (resid 67   and name HA    )(resid 67   and name HG1#  )     4.0  2.2 2.0
assign (resid 67   and name HA    )(resid 67   and name HG2#  )     4.0  2.2 2.0
assign (resid 67   and name HA    )(resid 68   and name HN    )     3.0  1.2 0.5
!assign (resid 67   and name HB    )(resid 67   and name HG1#  )     4.0  2.2 2.0
!assign (resid 67   and name HB    )(resid 67   and name HG2#  )     4.0  2.2 2.0
assign (resid 67   and name HB    )(resid 68   and name HN    )     3.0  1.2 0.5
!assign (resid 67   and name HG1#  )(resid 67   and name HG2#  )     4.0  2.2 3.0
assign (resid 67   and name HG1#  )(resid 68   and name HN    )     4.0  2.2 2.0
!R68
assign (resid 68   and name HN    )(resid 68   and name HA    )     4.0  2.2 1.0
assign (resid 68   and name HN    )(resid 68   and name HB2   )     4.0  2.2 1.0
assign (resid 68   and name HN    )(resid 68   and name HB1   )     4.0  2.2 1.0
assign (resid 68   and name HN    )(resid 69   and name HN    )     4.0  2.2 1.0
!assign (resid 68   and name HA    )(resid 68   and name HB2   )     4.0  2.2 1.0
!assign (resid 68   and name HA    )(resid 68   and name HB1   )     4.0  2.2 1.0
assign (resid 68   and name HA    )(resid 68   and name HG2   )     4.0  2.2 1.0
assign (resid 68   and name HA    )(resid 68   and name HG1   )     4.0  2.2 1.0
assign (resid 68   and name HA    )(resid 69   and name HN    )     4.0  2.2 1.0
assign (resid 68   and name HA    )(resid 69   and name HB#   )     4.0  2.2 2.0
!assign (resid 68   and name HB2   )(resid 68   and name HG2   )     4.0  2.2 1.0
!assign (resid 68   and name HB2   )(resid 68   and name HG1   )     4.0  2.2 1.0
!assign (resid 68   and name HB1   )(resid 68   and name HG2   )     4.0  2.2 1.0
!assign (resid 68   and name HB1   )(resid 68   and name HG1   )     4.0  2.2 1.0
assign (resid 68   and name HB2   )(resid 68   and name HD#   )     4.0  2.2 2.0
assign (resid 68   and name HB1   )(resid 68   and name HD#   )     4.0  2.2 2.0
assign (resid 68   and name HB#   )(resid 69   and name HN    )     4.0  2.2 2.0
!assign (resid 68   and name HG2   )(resid 68   and name HG1   )     4.0  2.2 1.0
!assign (resid 68   and name HG1   )(resid 68   and name HG2   )     4.0  2.2 1.0
!assign (resid 68   and name HG2   )(resid 68   and name HD#   )     4.0  2.2 2.0
!assign (resid 68   and name HG1   )(resid 68   and name HD#   )     4.0  2.2 2.0
assign (resid 68   and name HG#   )(resid 69   and name HN    )     4.0  2.2 2.0
!A69
assign (resid 69   and name HN    )(resid 69   and name HA    )     4.0  2.2 1.0
assign (resid 69   and name HN    )(resid 69   and name HB#   )     4.0  2.2 1.6
!assign (resid 69   and name HA    )(resid 69   and name HB#   )     4.0  2.2 1.2
assign (resid 69   and name HA    )(resid 70   and name HN    )     4.0  2.2 1.0
assign (resid 69   and name HB#   )(resid 70   and name HN    )     4.0  2.2 2.0
assign (resid 69   and name HB#   )(resid 70   and name HA    )     4.0  2.2 2.0
assign (resid 69   and name HB#   )(resid 71   and name HD#   )     4.0  2.2 4.0
assign (resid 69   and name HB#   )(resid 71   and name HE#   )     4.0  2.2 4.0
assign (resid 69   and name HB#   )(resid 71   and name HZ    )     4.0  2.2 2.0
!R70
assign (resid 70   and name HN    )(resid 70   and name HA    )     4.0  2.2 1.0
assign (resid 70   and name HN    )(resid 70   and name HB2   )     4.0  2.2 1.0
assign (resid 70   and name HN    )(resid 70   and name HB1   )     4.0  2.2 1.0
!assign (resid 70   and name HA    )(resid 70   and name HB2   )     4.0  2.2 1.0
!assign (resid 70   and name HA    )(resid 70   and name HB1   )     4.0  2.2 1.0
assign (resid 70   and name HA    )(resid 70   and name HG2   )     4.0  2.2 1.0
assign (resid 70   and name HA    )(resid 70   and name HG1   )     4.0  2.2 1.0
assign (resid 70   and name HA    )(resid 70   and name HD#   )     4.0  2.2 2.0
assign (resid 70   and name HA    )(resid 71   and name HN    )     4.0  2.2 1.0
!assign (resid 70   and name HB2   )(resid 70   and name HB1   )     4.0  2.2 1.0
!assign (resid 70   and name HB1   )(resid 70   and name HB2   )     4.0  2.2 1.0
!assign (resid 70   and name HB#   )(resid 70   and name HG2   )     4.0  2.2 2.0
!assign (resid 70   and name HB#   )(resid 70   and name HG1   )     4.0  2.2 2.0
assign (resid 70   and name HB2   )(resid 70   and name HD#   )     4.0  2.2 2.0
assign (resid 70   and name HB1   )(resid 70   and name HD#   )     4.0  2.2 2.0
assign (resid 70   and name HB#   )(resid 71   and name HN    )     4.0  2.2 2.0
!assign (resid 70   and name HG2   )(resid 70   and name HG1   )     4.0  2.2 1.0
!assign (resid 70   and name HG1   )(resid 70   and name HG2   )     4.0  2.2 1.0
!assign (resid 70   and name HG2   )(resid 70   and name HD#   )     4.0  2.2 2.0
!assign (resid 70   and name HG1   )(resid 70   and name HD#   )     4.0  2.2 2.0
!F71
assign (resid 71   and name HN    )(resid 71   and name HA    )     4.0  2.2 1.0
assign (resid 71   and name HN    )(resid 71   and name HB2   )     4.0  2.2 1.0
assign (resid 71   and name HN    )(resid 71   and name HB1   )     4.0  2.2 1.0
assign (resid 71   and name HN    )(resid 71   and name HD#   )     4.0  2.2 3.0
assign (resid 71   and name HN    )(resid 71   and name HE#   )     4.0  2.2 3.0
!assign (resid 71   and name HA    )(resid 71   and name HB#   )     4.0  2.2 2.0
assign (resid 71   and name HA    )(resid 72   and name HN    )     3.0  1.2 0.5
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 HG#   )     4.0  2.2 2.0
assign (resid 71   and name HA    )(resid 73   and name HN    )     3.0  1.2 0.5
assign (resid 71   and name HA    )(resid 74   and name HN    )     4.0  2.2 1.0
assign (resid 71   and name HA    )(resid 71   and name HD#   )     4.0  2.2 2.0
!assign (resid 71   and name HB2   )(resid 71   and name HB1   )     4.0  2.2 1.0
!assign (resid 71   and name HB1   )(resid 71   and name HB2   )     4.0  2.2 1.0
assign (resid 71   and name HB2   )(resid 73   and name HN    )     4.0  2.2 1.0
assign (resid 71   and name HB1   )(resid 73   and name HN    )     4.0  2.2 1.0
assign (resid 71   and name HB2   )(resid 75   and name HD2#  )     4.0  2.2 2.0
assign (resid 71   and name HB1   )(resid 75   and name HD2#  )     4.0  2.2 2.0
assign (resid 71   and name HB2   )(resid 71   and name HD#   )     4.0  2.2 3.0
assign (resid 71   and name HB1   )(resid 71   and name HD#   )     4.0  2.2 3.0
!E72
assign (resid 72   and name HN    )(resid 72   and name HA    )     4.0  2.2 1.0
assign (resid 72   and name HN    )(resid 72   and name HB#   )     4.0  2.2 2.0
assign (resid 72   and name HN    )(resid 72   and name HG#   )     4.0  2.2 2.0
assign (resid 72   and name HN    )(resid 73   and name HN    )     4.0  2.2 1.0
!assign (resid 72   and name HA    )(resid 72   and name HB#   )     3.0  1.2 1.5
assign (resid 72   and name HA    )(resid 72   and name HG#   )     4.0  2.2 2.0
assign (resid 72   and name HA    )(resid 73   and name HN    )     3.0  1.2 0.5
!assign (resid 72   and name HB#   )(resid 72   and name HG#   )     4.0  2.2 3.0
assign (resid 72   and name HB#   )(resid 73   and name HN    )     3.0  1.2 1.5
assign (resid 72   and name HG#   )(resid 73   and name HN    )     4.0  2.2 2.0
!K73
assign (resid 73   and name HN    )(resid 73   and name HA    )     4.0  2.2 1.0
assign (resid 73   and name HN    )(resid 73   and name HB2   )     3.0  1.2 0.5
assign (resid 73   and name HN    )(resid 73   and name HB1   )     3.0  1.2 0.5
assign (resid 73   and name HN    )(resid 73   and name HG#   )     4.0  2.2 2.0
assign (resid 73   and name HN    )(resid 74   and name HN    )     2.5  0.7 0.4
!assign (resid 73   and name HA    )(resid 73   and name HB2   )     4.0  2.2 1.0
!assign (resid 73   and name HA    )(resid 73   and name HB1   )     4.0  2.2 1.0
assign (resid 73   and name HA    )(resid 73   and name HG2   )     4.0  2.2 1.0
assign (resid 73   and name HA    )(resid 73   and name HG1   )     4.0  2.2 1.0
assign (resid 73   and name HA    )(resid 73   and name HD#   )     4.0  2.2 2.0
assign (resid 73   and name HA    )(resid 73   and name HE#   )     4.0  2.2 2.0
!assign (resid 73   and name HB2   )(resid 73   and name HB1   )     3.0  1.2 0.5
!assign (resid 73   and name HB1   )(resid 73   and name HB2   )     3.0  1.2 0.5
!assign (resid 73   and name HB2   )(resid 73   and name HG2   )     4.0  2.2 1.0
!assign (resid 73   and name HB2   )(resid 73   and name HG1   )     4.0  2.2 1.0
!assign (resid 73   and name HB1   )(resid 73   and name HG2   )     4.0  2.2 1.0
!assign (resid 73   and name HB1   )(resid 73   and name HG1   )     4.0  2.2 1.0
assign (resid 73   and name HB2   )(resid 73   and name HD#   )     4.0  2.2 2.0
assign (resid 73   and name HB1   )(resid 73   and name HD#   )     4.0  2.2 2.0
assign (resid 73   and name HB2   )(resid 73   and name HE#   )     4.0  2.2 2.0
assign (resid 73   and name HB1   )(resid 73   and name HE#   )     4.0  2.2 2.0
assign (resid 73   and name HB2   )(resid 74   and name HN    )     3.0  1.2 0.5
assign (resid 73   and name HB1   )(resid 74   and name HN    )     3.0  1.2 0.5
!assign (resid 73   and name HG2   )(resid 73   and name HD2   )     4.0  2.2 1.0
!assign (resid 73   and name HG2   )(resid 73   and name HD1   )     4.0  2.2 1.0
!assign (resid 73   and name HG1   )(resid 73   and name HD2   )     4.0  2.2 1.0
!assign (resid 73   and name HG1   )(resid 73   and name HD1   )     4.0  2.2 1.0
assign (resid 73   and name HG2   )(resid 73   and name HE#   )     4.0  2.2 2.0
assign (resid 73   and name HG1   )(resid 73   and name HE#   )     4.0  2.2 2.0
assign (resid 73   and name HG#   )(resid 74   and name HN    )     4.0  2.2 2.0
!assign (resid 73   and name HD2   )(resid 73   and name HE#   )     4.0  2.2 2.0
!assign (resid 73   and name HD1   )(resid 73   and name HE#   )     4.0  2.2 2.0
!G74
assign (resid 74   and name HN    )(resid 74   and name HA#   )     4.0  2.2 1.6
assign (resid 74   and name HN    )(resid 75   and name HN    )     4.0  2.2 1.0
assign (resid 74   and name HA#   )(resid 75   and name HN    )     4.0  2.2 1.6
assign (resid 74   and name HA#   )(resid 75   and name HD2#  )     4.0  2.2 2.6
!L75
assign (resid 75   and name HN    )(resid 75   and name HA    )     4.0  2.2 1.0
assign (resid 75   and name HN    )(resid 75   and name HB2   )     4.0  2.2 1.0
assign (resid 75   and name HN    )(resid 75   and name HB1   )     4.0  2.2 1.0
assign (resid 75   and name HN    )(resid 75   and name HG    )     4.0  2.2 1.0
assign (resid 75   and name HN    )(resid 75   and name HD2#  )     4.0  2.2 2.0
!assign (resid 75   and name HA    )(resid 75   and name HB2   )     4.0  2.2 1.0
!assign (resid 75   and name HA    )(resid 75   and name HB1   )     4.0  2.2 1.0
assign (resid 75   and name HA    )(resid 75   and name HD1#  )     4.0  2.2 2.0
assign (resid 75   and name HA    )(resid 75   and name HD2#  )     4.0  2.2 2.0
assign (resid 75   and name HA    )(resid 76   and name HD2   )     4.0  2.2 1.0
assign (resid 75   and name HA    )(resid 76   and name HD1   )     4.0  2.2 1.0
!assign (resid 75   and name HB2   )(resid 75   and name HB1   )     4.0  2.2 1.0
!assign (resid 75   and name HB1   )(resid 75   and name HB2   )     4.0  2.2 1.0
!assign (resid 75   and name HB#   )(resid 75   and name HG    )     4.0  2.2 2.0
assign (resid 75   and name HB2   )(resid 75   and name HD1#  )     4.0  2.2 2.0
assign (resid 75   and name HB2   )(resid 75   and name HD2#  )     4.0  2.2 2.0
assign (resid 75   and name HB1   )(resid 75   and name HD1#  )     4.0  2.2 2.0
assign (resid 75   and name HB1   )(resid 75   and name HD2#  )     4.0  2.2 2.0
!assign (resid 75   and name HG    )(resid 75   and name HD1#  )     4.0  2.2 2.0
!assign (resid 75   and name HG    )(resid 75   and name HD2#  )     4.0  2.2 2.0
!assign (resid 75   and name HD1#  )(resid 75   and name HD2#  )     4.0  2.2 3.0
assign (resid 75   and name HD1#  )(resid 76   and name HD#   )     4.0  2.2 3.0
assign (resid 75   and name HD2#  )(resid 76   and name HD#   )     4.0  2.2 3.0
assign (resid 75   and name HD1#  )(resid 79   and name HB#   )     4.0  2.2 3.0
assign (resid 75   and name HD2#  )(resid 79   and name HB#   )     4.0  2.2 3.0
!P76
!assign (resid 76   and name HA    )(resid 76   and name HB#   )     4.0  2.2 2.0
!assign (resid 76   and name HA    )(resid 76   and name HG#   )     4.0  2.2 2.0
assign (resid 76   and name HA    )(resid 77   and name HN    )     4.0  2.2 1.0
!assign (resid 76   and name HB#   )(resid 76   and name HG2   )     4.0  2.2 2.0
!assign (resid 76   and name HB#   )(resid 76   and name HG1   )     4.0  2.2 2.0
!assign (resid 76   and name HB#   )(resid 76   and name HD2   )     4.0  2.2 2.0
!assign (resid 76   and name HB#   )(resid 76   and name HD1   )     4.0  2.2 2.0
assign (resid 76   and name HB#   )(resid 77   and name HN    )     4.0  2.2 2.0
!assign (resid 76   and name HG2   )(resid 76   and name HG1   )     4.0  2.2 1.0
!assign (resid 76   and name HG1   )(resid 76   and name HG2   )     4.0  2.2 1.0
!assign (resid 76   and name HG2   )(resid 76   and name HD2   )     4.0  2.2 1.0
!assign (resid 76   and name HG2   )(resid 76   and name HD1   )     4.0  2.2 1.0
!assign (resid 76   and name HG1   )(resid 76   and name HD2   )     4.0  2.2 1.0
!assign (resid 76   and name HG1   )(resid 76   and name HD1   )     4.0  2.2 1.0
!assign (resid 76   and name HD2   )(resid 76   and name HD1   )     4.0  2.2 1.0
!assign (resid 76   and name HD1   )(resid 76   and name HD2   )     4.0  2.2 1.0
!G77
assign (resid 77   and name HN    )(resid 77   and name HA#   )     4.0  2.2 1.6
!assign (resid 77   and name HA2   )(resid 77   and name HA1   )     3.0  1.2 0.5
!assign (resid 77   and name HA1   )(resid 77   and name HA2   )     3.0  1.2 0.5
assign (resid 77   and name HA#   )(resid 78   and name HN    )     4.0  2.2 1.6
!Q78
assign (resid 78   and name HN    )(resid 78   and name HA    )     4.0  2.2 1.0
assign (resid 78   and name HN    )(resid 78   and name HB2   )     4.0  2.2 1.0
assign (resid 78   and name HN    )(resid 78   and name HB1   )     4.0  2.2 1.0
assign (resid 78   and name HN    )(resid 78   and name HG#   )     4.0  2.2 2.0
assign (resid 78   and name HN    )(resid 79   and name HN    )     4.0  2.2 1.0
!assign (resid 78   and name HA    )(resid 78   and name HB2   )     4.0  2.2 1.0
!assign (resid 78   and name HA    )(resid 78   and name HB1   )     4.0  2.2 1.0
assign (resid 78   and name HA    )(resid 78   and name HG#   )     4.0  2.2 2.0
assign (resid 78   and name HA    )(resid 78   and name HE22  )     4.0  2.2 1.0
assign (resid 78   and name HA    )(resid 79   and name HN    )     4.0  2.2 1.0
assign (resid 78   and name HA    )(resid 80   and name HN    )     4.0  2.2 1.0
!assign (resid 78   and name HB2   )(resid 78   and name HG#   )     4.0  2.2 2.0
!assign (resid 78   and name HB1   )(resid 78   and name HG#   )     4.0  2.2 2.0
assign (resid 78   and name HB#   )(resid 78   and name HE21  )     4.0  2.2 2.0
assign (resid 78   and name HB#   )(resid 78   and name HE22  )     4.0  2.2 2.0
assign (resid 78   and name HB#   )(resid 79   and name HN    )     4.0  2.2 2.0
assign (resid 78   and name HB#   )(resid 80   and name HB#   )     4.0  2.2 3.0
assign (resid 78   and name HG#   )(resid 78   and name HE21  )     4.0  2.2 2.0
assign (resid 78   and name HG#   )(resid 78   and name HE22  )     4.0  2.2 2.0
assign (resid 78   and name HG#   )(resid 80   and name HN    )     4.0  2.2 2.0
!assign (resid 78   and name HE21  )(resid 78   and name HE22  )     4.0  2.2 1.0
!assign (resid 78   and name HE22  )(resid 78   and name HE21  )     4.0  2.2 1.0
assign (resid 78   and name HE22  )(resid 79   and name HB#   )     4.0  2.2 2.0
!A79
assign (resid 79   and name HN    )(resid 79   and name HA    )     4.0  2.2 1.0
assign (resid 79   and name HN    )(resid 79   and name HB#   )     4.0  2.2 1.6
assign (resid 79   and name HN    )(resid 80   and name HN    )     3.0  1.2 0.5
!assign (resid 79   and name HA    )(resid 79   and name HB#   )     4.0  2.2 1.2
assign (resid 79   and name HA    )(resid 80   and name HN    )     4.0  2.2 1.0
assign (resid 79   and name HA    )(resid 82   and name HB#   )     4.0  2.2 2.0
assign (resid 79   and name HB#   )(resid 80   and name HN    )     4.0  2.2 2.0
assign (resid 79   and name HB#   )(resid 82   and name HN    )     4.0  2.2 2.0
!L80
assign (resid 80   and name HN    )(resid 80   and name HA    )     4.0  2.2 1.0
assign (resid 80   and name HN    )(resid 80   and name HB2   )     3.0  1.2 0.5
assign (resid 80   and name HN    )(resid 80   and name HB1   )     3.0  1.2 0.5
assign (resid 80   and name HN    )(resid 80   and name HG    )     4.0  2.2 1.0
assign (resid 80   and name HN    )(resid 80   and name HD1#  )     4.0  2.2 2.0
assign (resid 80   and name HN    )(resid 80   and name HD2#  )     4.0  2.2 2.0
!assign (resid 80   and name HA    )(resid 80   and name HB2   )     4.0  2.2 1.0
!assign (resid 80   and name HA    )(resid 80   and name HB1   )     4.0  2.2 1.0
assign (resid 80   and name HA    )(resid 80   and name HG    )     4.0  2.2 1.0
assign (resid 80   and name HA    )(resid 80   and name HD1#  )     4.0  2.2 2.0
assign (resid 80   and name HA    )(resid 80   and name HD2#  )     4.0  2.2 2.0
assign (resid 80   and name HA    )(resid 81   and name HN    )     4.0  2.2 1.0
assign (resid 80   and name HA    )(resid 81   and name HA#   )     4.0  2.2 1.6
assign (resid 80   and name HA    )(resid 82   and name HN    )     4.0  2.2 1.0
!assign (resid 80   and name HB2   )(resid 80   and name HB1   )     3.0  1.2 0.5
!assign (resid 80   and name HB1   )(resid 80   and name HB2   )     3.0  1.2 0.5
!assign (resid 80   and name HB2   )(resid 80   and name HG    )     4.0  2.2 1.0
!assign (resid 80   and name HB1   )(resid 80   and name HG    )     4.0  2.2 1.0
assign (resid 80   and name HB2   )(resid 80   and name HD1#  )     4.0  2.2 2.0
assign (resid 80   and name HB2   )(resid 80   and name HD2#  )     4.0  2.2 2.0
assign (resid 80   and name HB1   )(resid 80   and name HD1#  )     4.0  2.2 2.0
assign (resid 80   and name HB1   )(resid 80   and name HD2#  )     4.0  2.2 2.0
!assign (resid 80   and name HG    )(resid 80   and name HD1#  )     4.0  2.2 2.0
!assign (resid 80   and name HG    )(resid 80   and name HD2#  )     4.0  2.2 2.0
!assign (resid 80   and name HD1#  )(resid 80   and name HD2#  )     4.0  2.2 3.0
assign (resid 80   and name HD1#  )(resid 81   and name HN    )     4.0  2.2 2.0
assign (resid 80   and name HD2#  )(resid 81   and name HN    )     4.0  2.2 2.0
!G81
assign (resid 81   and name HN    )(resid 81   and name HA2   )     3.0  1.2 0.5
assign (resid 81   and name HN    )(resid 81   and name HA1   )     3.0  1.2 0.5
assign (resid 81   and name HN    )(resid 82   and name HN    )     4.0  2.2 1.0
!assign (resid 81   and name HA2   )(resid 81   and name HA1   )     3.0  1.2 0.5
!assign (resid 81   and name HA1   )(resid 81   and name HA2   )     3.0  1.2 0.5
assign (resid 81   and name HA#   )(resid 82   and name HN    )     4.0  2.2 1.6
!D82
assign (resid 82   and name HN    )(resid 82   and name HA    )     3.0  1.2 0.5
assign (resid 82   and name HN    )(resid 82   and name HB#   )     4.0  2.2 2.0
assign (resid 82   and name HN    )(resid 83   and name HN    )     4.0  2.2 1.0
!assign (resid 82   and name HA    )(resid 82   and name HB#   )     3.0  1.2 1.5
assign (resid 82   and name HA    )(resid 83   and name HN    )     4.0  2.2 1.0
assign (resid 82   and name HB#   )(resid 83   and name HN    )     3.0  1.2 1.5
assign (resid 82   and name HB#   )(resid 84   and name HG1#  )     4.0  2.2 3.0
!Y83
assign (resid 83   and name HN    )(resid 83   and name HA    )     4.0  2.2 1.0
assign (resid 83   and name HN    )(resid 83   and name HB2   )     3.0  1.2 0.5
assign (resid 83   and name HN    )(resid 83   and name HB1   )     3.0  1.2 0.5
assign (resid 83   and name HN    )(resid 83   and name HD#   )     4.0  2.2 3.0
!assign (resid 83   and name HA    )(resid 83   and name HB2   )     4.0  2.2 1.0
!assign (resid 83   and name HA    )(resid 83   and name HB1   )     4.0  2.2 1.0
assign (resid 83   and name HA    )(resid 84   and name HN    )     4.0  2.2 1.0
assign (resid 83   and name HA    )(resid 83   and name HD#   )     4.0  2.2 2.0
assign (resid 83   and name HA    )(resid 83   and name HE#   )     4.0  2.2 2.0
!assign (resid 83   and name HB2   )(resid 83   and name HB1   )     3.0  1.2 0.5
!assign (resid 83   and name HB1   )(resid 83   and name HB2   )     3.0  1.2 0.5
assign (resid 83   and name HB2   )(resid 84   and name HN    )     4.0  2.2 1.0
assign (resid 83   and name HB1   )(resid 84   and name HN    )     4.0  2.2 1.0
assign (resid 83   and name HB2   )(resid 83   and name HD#   )     4.0  2.2 3.0
assign (resid 83   and name HB1   )(resid 83   and name HD#   )     4.0  2.2 3.0
assign (resid 83   and name HB2   )(resid 83   and name HE#   )     4.0  2.2 3.0
assign (resid 83   and name HB1   )(resid 83   and name HE#   )     4.0  2.2 3.0
!V84
assign (resid 84   and name HN    )(resid 84   and name HA    )     4.0  2.2 1.0
assign (resid 84   and name HN    )(resid 84   and name HG1#  )     4.0  2.2 2.0
assign (resid 84   and name HN    )(resid 84   and name HG2#  )     4.0  2.2 2.0
!assign (resid 84   and name HA    )(resid 84   and name HB    )     4.0  2.2 1.0
assign (resid 84   and name HA    )(resid 84   and name HG1#  )     4.0  2.2 2.0
assign (resid 84   and name HA    )(resid 84   and name HG2#  )     4.0  2.2 2.0
assign (resid 84   and name HA    )(resid 85   and name HN    )     4.0  2.2 1.0
assign (resid 84   and name HA    )(resid 85   and name HA    )     4.0  2.2 1.0
assign (resid 84   and name HA    )(resid 85   and name HG#   )     4.0  2.2 2.0
!assign (resid 84   and name HB    )(resid 84   and name HG1#  )     4.0  2.2 2.0
!assign (resid 84   and name HB    )(resid 84   and name HG2#  )     4.0  2.2 2.0
assign (resid 84   and name HB    )(resid 85   and name HN    )     4.0  2.2 1.0
!assign (resid 84   and name HG1#  )(resid 84   and name HG2#  )     4.0  2.2 3.0
assign (resid 84   and name HG1#  )(resid 85   and name HN    )     4.0  2.2 2.0
assign (resid 84   and name HG2#  )(resid 85   and name HN    )     4.0  2.2 2.0
assign (resid 84   and name HG2#  )(resid 85   and name HA    )     4.0  2.2 2.0
assign (resid 84   and name HG2#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
!E85
assign (resid 85   and name HN    )(resid 85   and name HB2   )     4.0  2.2 1.0
assign (resid 85   and name HN    )(resid 85   and name HB1   )     4.0  2.2 1.0
assign (resid 85   and name HN    )(resid 85   and name HG#   )     4.0  2.2 2.0
assign (resid 85   and name HN    )(resid 86   and name HN    )     4.0  2.2 1.0
assign (resid 85   and name HN    )(resid 87   and name HN    )     4.0  2.2 1.0
assign (resid 85   and name HN    )(resid 87   and name HG##  )     4.0  2.2 3.4
!assign (resid 85   and name HA    )(resid 85   and name HB2   )     4.0  2.2 1.0
!assign (resid 85   and name HA    )(resid 85   and name HB1   )     4.0  2.2 1.0
assign (resid 85   and name HA    )(resid 85   and name HG2   )     4.0  2.2 1.0
assign (resid 85   and name HA    )(resid 85   and name HG1   )     4.0  2.2 1.0
assign (resid 85   and name HA    )(resid 86   and name HN    )     4.0  2.2 1.0
assign (resid 85   and name HA    )(resid 86   and name HA    )     4.0  2.2 1.0
assign (resid 85   and name HA    )(resid 86   and name HG1#  )     4.0  2.2 2.0
!assign (resid 85   and name HB2   )(resid 85   and name HB1   )     3.0  1.2 0.5
!assign (resid 85   and name HB1   )(resid 85   and name HB2   )     3.0  1.2 0.5
!assign (resid 85   and name HB2   )(resid 85   and name HG2   )     4.0  2.2 1.0
!assign (resid 85   and name HB2   )(resid 85   and name HG1   )     4.0  2.2 1.0
!assign (resid 85   and name HB1   )(resid 85   and name HG2   )     4.0  2.2 1.0
!assign (resid 85   and name HB1   )(resid 85   and name HG1   )     4.0  2.2 1.0
assign (resid 85   and name HB2   )(resid 86   and name HN    )     4.0  2.2 1.0
assign (resid 85   and name HB1   )(resid 86   and name HN    )     4.0  2.2 1.0
assign (resid 85   and name HB#   )(resid 87   and name HB    )     4.0  2.2 2.0
assign (resid 85   and name HB2   )(resid 87   and name HG1#  )     4.0  2.2 2.0
assign (resid 85   and name HB2   )(resid 87   and name HG2#  )     4.0  2.2 2.0
assign (resid 85   and name HB1   )(resid 87   and name HG1#  )     4.0  2.2 2.0
assign (resid 85   and name HB1   )(resid 87   and name HG2#  )     4.0  2.2 2.0
!assign (resid 85   and name HG2   )(resid 85   and name HG1   )     4.0  2.2 1.0
!assign (resid 85   and name HG1   )(resid 85   and name HG2   )     4.0  2.2 1.0
assign (resid 85   and name HG#   )(resid 86   and name HN    )     4.0  2.2 2.0
assign (resid 85   and name HG2   )(resid 87   and name HG##  )     4.0  2.2 3.4
assign (resid 85   and name HG1   )(resid 87   and name HG##  )     4.0  2.2 3.4
!I86
assign (resid 86   and name HN    )(resid 86   and name HA    )     4.0  2.2 1.0
assign (resid 86   and name HN    )(resid 86   and name HB    )     4.0  2.2 1.0
assign (resid 86   and name HN    )(resid 86   and name HG12  )     4.0  2.2 1.0
assign (resid 86   and name HN    )(resid 86   and name HG11  )     4.0  2.2 1.0
assign (resid 86   and name HN    )(resid 86   and name HG2#  )     4.0  2.2 2.0
assign (resid 86   and name HN    )(resid 86   and name HD1#  )     4.0  2.2 2.0
assign (resid 86   and name HN    )(resid 87   and name HN    )     4.0  2.2 1.0
assign (resid 86   and name HA    )(resid 86   and name HG1#  )     4.0  2.2 2.0
assign (resid 86   and name HA    )(resid 86   and name HG2#  )     4.0  2.2 1.6
assign (resid 86   and name HA    )(resid 86   and name HD1#  )     4.0  2.2 2.0
assign (resid 86   and name HA    )(resid 87   and name HN    )     3.0  1.2 0.5
assign (resid 86   and name HA    )(resid 87   and name HG##  )     4.0  2.2 3.4
!assign (resid 86   and name HB    )(resid 86   and name HG1#  )     4.0  2.2 2.0
!assign (resid 86   and name HB    )(resid 86   and name HG2#  )     4.0  2.2 2.0
assign (resid 86   and name HB    )(resid 86   and name HD1#  )     4.0  2.2 2.0
!assign (resid 86   and name HG12  )(resid 86   and name HG11  )     4.0  2.2 1.0
!assign (resid 86   and name HG11  )(resid 86   and name HG12  )     4.0  2.2 1.0
assign (resid 86   and name HG12  )(resid 86   and name HG2#  )     4.0  2.2 2.0
assign (resid 86   and name HG11  )(resid 86   and name HG2#  )     4.0  2.2 2.0
!assign (resid 86   and name HG12  )(resid 86   and name HD1#  )     4.0  2.2 2.0
!assign (resid 86   and name HG11  )(resid 86   and name HD1#  )     4.0  2.2 2.0
assign (resid 86   and name HG1#  )(resid 87   and name HN    )     4.0  2.2 2.0
assign (resid 86   and name HG2#  )(resid 86   and name HD1#  )     4.0  2.2 3.0
assign (resid 86   and name HG2#  )(resid 87   and name HN    )     4.0  2.2 2.0
!V87
assign (resid 87   and name HN    )(resid 87   and name HA    )     4.0  2.2 1.0
assign (resid 87   and name HN    )(resid 87   and name HB    )     4.0  2.2 1.0
assign (resid 87   and name HN    )(resid 87   and name HG1#  )     4.0  2.2 2.0
assign (resid 87   and name HN    )(resid 87   and name HG##  )     4.0  2.2 2.7
assign (resid 87   and name HN    )(resid 88   and name HN    )     4.0  2.2 1.0
!assign (resid 87   and name HA    )(resid 87   and name HB    )     4.0  2.2 1.0
assign (resid 87   and name HA    )(resid 87   and name HG1#  )     4.0  2.2 2.0
assign (resid 87   and name HA    )(resid 87   and name HG2#  )     4.0  2.2 2.0
assign (resid 87   and name HA    )(resid 88   and name HN    )     4.0  2.2 1.0
assign (resid 87   and name HA    )(resid 88   and name HA    )     4.0  2.2 1.0
assign (resid 87   and name HA    )(resid 88   and name HG    )     4.0  2.2 1.0
assign (resid 87   and name HA    )(resid 88   and name HD2#  )     4.0  2.2 2.0
!assign (resid 87   and name HB    )(resid 87   and name HG1#  )     4.0  2.2 2.0
!assign (resid 87   and name HB    )(resid 87   and name HG2#  )     4.0  2.2 2.0
assign (resid 87   and name HB    )(resid 88   and name HN    )     4.0  2.2 1.0
assign (resid 87   and name HB    )(resid 88   and name HG    )     4.0  2.2 1.0
assign (resid 87   and name HG##  )(resid 88   and name HN    )     4.0  2.2 3.4
assign (resid 87   and name HG2#  )(resid 88   and name HN    )     4.0  2.2 2.0
assign (resid 87   and name HG##  )(resid 88   and name HA    )     4.0  2.2 3.4
assign (resid 87   and name HG1#  )(resid 88   and name HG    )     4.0  2.2 2.0
assign (resid 87   and name HG##  )(resid 88   and name HG    )     4.0  2.2 3.4
assign (resid 87   and name HG##  )(resid 88   and name HD2#  )     4.0  2.2 4.4
!L88
assign (resid 88   and name HN    )(resid 88   and name HA    )     4.0  2.2 1.0
assign (resid 88   and name HN    )(resid 88   and name HB#   )     4.0  2.2 2.0
assign (resid 88   and name HN    )(resid 88   and name HG    )     4.0  2.2 1.0
assign (resid 88   and name HN    )(resid 88   and name HD2#  )     4.0  2.2 2.0
assign (resid 88   and name HN    )(resid 89   and name HN    )     3.0  1.2 0.5
!assign (resid 88   and name HA    )(resid 88   and name HB#   )     4.0  2.2 2.0
assign (resid 88   and name HA    )(resid 88   and name HG    )     4.0  2.2 1.0
assign (resid 88   and name HA    )(resid 88   and name HD1#  )     4.0  2.2 2.0
assign (resid 88   and name HA    )(resid 88   and name HD2#  )     4.0  2.2 2.0
assign (resid 88   and name HA    )(resid 89   and name HN    )     3.0  1.2 0.5
!assign (resid 88   and name HB#   )(resid 88   and name HG    )     4.0  2.2 2.0
assign (resid 88   and name HB#   )(resid 88   and name HD1#  )     4.0  2.2 3.0
assign (resid 88   and name HB#   )(resid 88   and name HD2#  )     4.0  2.2 3.0
assign (resid 88   and name HB#   )(resid 89   and name HN    )     3.0  1.2 1.5
!assign (resid 88   and name HG    )(resid 88   and name HD1#  )     4.0  2.2 2.0
!assign (resid 88   and name HG    )(resid 88   and name HD2#  )     4.0  2.2 2.0
!E89
assign (resid 89   and name HN    )(resid 89   and name HA    )     4.0  2.2 1.0
assign (resid 89   and name HN    )(resid 89   and name HB2   )     4.0  2.2 1.0
assign (resid 89   and name HN    )(resid 89   and name HB1   )     4.0  2.2 1.0
assign (resid 89   and name HN    )(resid 89   and name HG#   )     4.0  2.2 2.0
assign (resid 89   and name HN    )(resid 90   and name HN    )     3.0  1.2 0.5
!assign (resid 89   and name HA    )(resid 89   and name HB2   )     4.0  2.2 1.0
!assign (resid 89   and name HA    )(resid 89   and name HB1   )     4.0  2.2 1.0
assign (resid 89   and name HA    )(resid 89   and name HG2   )     4.0  2.2 1.0
assign (resid 89   and name HA    )(resid 89   and name HG1   )     4.0  2.2 1.0
!assign (resid 89   and name HB2   )(resid 89   and name HB1   )     4.0  2.2 1.0
!assign (resid 89   and name HB1   )(resid 89   and name HB2   )     4.0  2.2 1.0
!assign (resid 89   and name HB2   )(resid 89   and name HG2   )     4.0  2.2 1.0
!assign (resid 89   and name HB2   )(resid 89   and name HG1   )     4.0  2.2 1.0
!assign (resid 89   and name HB1   )(resid 89   and name HG2   )     4.0  2.2 1.0
!assign (resid 89   and name HB1   )(resid 89   and name HG1   )     4.0  2.2 1.0
!assign (resid 89   and name HG2   )(resid 89   and name HG1   )     4.0  2.2 1.0
!assign (resid 89   and name HG1   )(resid 89   and name HG2   )     4.0  2.2 1.0
!W45
assign (resid 45   and name HE1   )(resid 82   and name HN    )     4.0  2.2 1.0
!assign (resid 45   and name HE1   )(resid 45   and name HZ2   )     4.0  2.2 1.0
!Y10
assign (resid 10   and name HD#   )(resid 12   and name HA    )     4.0  2.2 3.0
assign (resid 10   and name HD#   )(resid 20   and name HA    )     4.0  2.2 3.0
assign (resid 10   and name HD#   )(resid 22   and name HB2   )     4.0  2.2 3.0
assign (resid 10   and name HD#   )(resid 22   and name HB1   )     4.0  2.2 3.0
assign (resid 10   and name HD#   )(resid 22   and name HG#   )     4.0  2.2 4.0
assign (resid 10   and name HD#   )(resid 80   and name HD1#  )     4.0  2.2 4.0
assign (resid 10   and name HD#   )(resid 80   and name HD2#  )     4.0  2.2 4.0
!assign (resid 10   and name HD#   )(resid 10   and name HE#   )     4.0  2.2 5.0
assign (resid 10   and name HE#   )(resid 20   and name HA    )     4.0  2.2 3.0
assign (resid 10   and name HE#   )(resid 20   and name HD2#  )     4.0  2.2 4.0
assign (resid 10   and name HE#   )(resid 80   and name HD1#  )     4.0  2.2 4.0
!W45
assign (resid 45   and name HD1   )(resid 46   and name HN    )     4.0  2.2 1.0
!assign (resid 45   and name HD1   )(resid 45   and name HE1   )     4.0  2.2 1.0
assign (resid 45   and name HE3   )(resid 53   and name HB2   )     4.0  2.2 1.0
assign (resid 45   and name HE3   )(resid 53   and name HB1   )     4.0  2.2 1.0
assign (resid 45   and name HE3   )(resid 53   and name HG    )     4.0  2.2 1.0
assign (resid 45   and name HE3   )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 45   and name HE3   )(resid 53   and name HD2#  )     4.0  2.2 2.0
!assign (resid 45   and name HE3   )(resid 45   and name HZ3   )     4.0  2.2 1.0
assign (resid 45   and name HZ2   )(resid 47   and name HA    )     4.0  2.2 1.0
assign (resid 45   and name HZ2   )(resid 48   and name HD#   )     4.0  2.2 2.0
assign (resid 45   and name HZ2   )(resid 79   and name HA    )     4.0  2.2 1.0
assign (resid 45   and name HZ2   )(resid 79   and name HB#   )     4.0  2.2 2.0
assign (resid 45   and name HZ2   )(resid 82   and name HB#   )     4.0  2.2 2.0
!assign (resid 45   and name HZ2   )(resid 45   and name HE3   )     4.0  2.2 1.0
!assign (resid 45   and name HZ2   )(resid 45   and name HZ3   )     4.0  2.2 1.0
!assign (resid 45   and name HZ2   )(resid 45   and name HH2   )     4.0  2.2 1.0
assign (resid 45   and name HZ3   )(resid 47   and name HB#   )     4.0  2.2 2.0
assign (resid 45   and name HZ3   )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 45   and name HZ3   )(resid 53   and name HD2#  )     4.0  2.2 2.0
assign (resid 45   and name HZ3   )(resid 75   and name HB#   )     4.0  2.2 2.0
assign (resid 45   and name HZ3   )(resid 75   and name HD2#  )     4.0  2.2 2.0
assign (resid 45   and name HZ3   )(resid 76   and name HD#   )     4.0  2.2 2.0
!assign (resid 45   and name HZ3   )(resid 45   and name HE3   )     4.0  2.2 1.0
assign (resid 45   and name HH2   )(resid 47   and name HA    )     4.0  2.2 1.0
assign (resid 45   and name HH2   )(resid 47   and name HB2   )     4.0  2.2 1.0
assign (resid 45   and name HH2   )(resid 47   and name HB1   )     4.0  2.2 1.0
assign (resid 45   and name HH2   )(resid 48   and name HD#   )     4.0  2.2 2.0
assign (resid 45   and name HH2   )(resid 53   and name HD1#  )     4.0  2.2 2.0
assign (resid 45   and name HH2   )(resid 76   and name HB#   )     4.0  2.2 2.0
assign (resid 45   and name HH2   )(resid 76   and name HG2   )     4.0  2.2 1.0
assign (resid 45   and name HH2   )(resid 76   and name HG1   )     4.0  2.2 1.0
assign (resid 45   and name HH2   )(resid 76   and name HD#   )     4.0  2.2 2.0
!assign (resid 45   and name HH2   )(resid 45   and name HE3   )     4.0  2.2 1.0
!assign (resid 45   and name HH2   )(resid 45   and name HZ3   )     4.0  2.2 1.0
!F71
assign (resid 71   and name HD#   )(resid 75   and name HD1#  )     4.0  2.2 4.0
assign (resid 71   and name HD#   )(resid 75   and name HD2#  )     4.0  2.2 4.0
!assign (resid 71   and name HD#   )(resid 71   and name HE#   )     4.0  2.2 5.0
!assign (resid 71   and name HE#   )(resid 71   and name HZ    )     4.0  2.2 3.0
assign (resid 71   and name HZ    )(resid 84   and name HG1#  )     4.0  2.2 2.0
!Y83
assign (resid 83   and name HD#   )(resid 84   and name HN    )     4.0  2.2 3.0
!assign (resid 83   and name HD#   )(resid 83   and name HE#   )     4.0  2.2 5.0

!  -- Angle constraint file built by HYPER -- X-Plor | Cns format 
!  -- from data in file  PfR48.hyp
!  -- Version: 3.2 2002/04/18[Linux] (Compiled on: vaio1.cabm.rutgers.edu) 

! file has been modified to reflect additional constraints used to guide calculation
! of intermediate structures (cf. note for distance constraints)

assign (resid   1 and name C   ) (resid   2 and name N   )
       (resid   2 and name CA  ) (resid   2 and name C   )  1   -125.00     55.00   2 
assign (resid   2 and name N   ) (resid   2 and name CA  )
       (resid   2 and name C   ) (resid   3 and name N   )  1    120.00     60.00   2 
assign (resid   2 and name C   ) (resid   3 and name N   )
       (resid   3 and name CA  ) (resid   3 and name C   )  1   -120.00     40.00   2 
assign (resid   3 and name N   ) (resid   3 and name CA  )
       (resid   3 and name C   ) (resid   4 and name N   )  1    120.00     60.00   2 
assign (resid   3 and name C   ) (resid   4 and name N   )
       (resid   4 and name CA  ) (resid   4 and name C   )  1   -120.00     50.00   2 
assign (resid   4 and name N   ) (resid   4 and name CA  )
       (resid   4 and name C   ) (resid   5 and name N   )  1    120.00     60.00   2 
assign (resid   4 and name C   ) (resid   5 and name N   )
       (resid   5 and name CA  ) (resid   5 and name C   )  1   -125.00     55.00   2 
assign (resid   5 and name N   ) (resid   5 and name CA  )
       (resid   5 and name C   ) (resid   6 and name N   )  1    120.00     60.00   2 
assign (resid   5 and name C   ) (resid   6 and name N   )
       (resid   6 and name CA  ) (resid   6 and name C   )  1   -120.00     50.00   2 
assign (resid   6 and name N   ) (resid   6 and name CA  )
       (resid   6 and name C   ) (resid   7 and name N   )  1    120.00     60.00   2 
assign (resid   8 and name C   ) (resid   9 and name N   )
       (resid   9 and name CA  ) (resid   9 and name C   )  1   -122.50     52.50   2 
assign (resid   9 and name N   ) (resid   9 and name CA  )
       (resid   9 and name C   ) (resid  10 and name N   )  1    120.00     60.00   2 
assign (resid   9 and name C   ) (resid  10 and name N   )
       (resid  10 and name CA  ) (resid  10 and name C   )  1   -125.00     55.00   2 
assign (resid  10 and name N   ) (resid  10 and name CA  )
       (resid  10 and name C   ) (resid  11 and name N   )  1    120.00     60.00   2 
assign (resid  10 and name C   ) (resid  11 and name N   )
       (resid  11 and name CA  ) (resid  11 and name C   )  1   -120.00     45.00   2 
assign (resid  11 and name N   ) (resid  11 and name CA  )
       (resid  11 and name C   ) (resid  12 and name N   )  1    120.00     60.00   2 
assign (resid  11 and name C   ) (resid  12 and name N   )
       (resid  12 and name CA  ) (resid  12 and name C   )  1   -125.00     55.00   2 
assign (resid  12 and name N   ) (resid  12 and name CA  )
       (resid  12 and name C   ) (resid  13 and name N   )  1    120.00     60.00   2 
assign (resid  15 and name C   ) (resid  16 and name N   )
       (resid  16 and name CA  ) (resid  16 and name C   )  1    -40.00    135.00   2 
assign (resid  19 and name C   ) (resid  20 and name N   )
       (resid  20 and name CA  ) (resid  20 and name C   )  1   -125.00     55.00   2 
assign (resid  20 and name N   ) (resid  20 and name CA  )
       (resid  20 and name C   ) (resid  21 and name N   )  1    120.00     60.00   2 
assign (resid  20 and name C   ) (resid  21 and name N   )
       (resid  21 and name CA  ) (resid  21 and name C   )  1   -125.00     55.00   2 
assign (resid  21 and name N   ) (resid  21 and name CA  )
       (resid  21 and name C   ) (resid  22 and name N   )  1    120.00     60.00   2 
assign (resid  21 and name C   ) (resid  22 and name N   )
       (resid  22 and name CA  ) (resid  22 and name C   )  1   -120.00     40.00   2 
assign (resid  22 and name N   ) (resid  22 and name CA  )
       (resid  22 and name C   ) (resid  23 and name N   )  1    120.00     60.00   2 
assign (resid  22 and name C   ) (resid  23 and name N   )
       (resid  23 and name CA  ) (resid  23 and name C   )  1   -125.00     55.00   2 
assign (resid  23 and name N   ) (resid  23 and name CA  )
       (resid  23 and name C   ) (resid  24 and name N   )  1    120.00     60.00   2 
assign (resid  23 and name C   ) (resid  24 and name N   )
       (resid  24 and name CA  ) (resid  24 and name C   )  1   -125.00     55.00   2 
assign (resid  24 and name N   ) (resid  24 and name CA  )
       (resid  24 and name C   ) (resid  25 and name N   )  1    120.00     60.00   2 
assign (resid  24 and name C   ) (resid  25 and name N   )
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assign (resid  25 and name N   ) (resid  25 and name CA  )
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assign (resid  29 and name C   ) (resid  30 and name N   )
       (resid  30 and name CA  ) (resid  30 and name C   )  1   -120.00     40.00   2 
assign (resid  30 and name C   ) (resid  31 and name N   )
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assign (resid  31 and name C   ) (resid  32 and name N   )
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assign (resid  32 and name N   ) (resid  32 and name CA  )
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assign (resid  32 and name C   ) (resid  33 and name N   )
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assign (resid  33 and name N   ) (resid  33 and name CA  )
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assign (resid  33 and name C   ) (resid  34 and name N   )
       (resid  34 and name CA  ) (resid  34 and name C   )  1    -65.00     35.00   2 
assign (resid  34 and name N   ) (resid  34 and name CA  )
       (resid  34 and name C   ) (resid  35 and name N   )  1    -35.00     40.00   2 
assign (resid  34 and name C   ) (resid  35 and name N   )
       (resid  35 and name CA  ) (resid  35 and name C   )  1    -55.00     15.00   2 
assign (resid  35 and name N   ) (resid  35 and name CA  )
       (resid  35 and name C   ) (resid  36 and name N   )  1    -35.00     40.00   2 
assign (resid  35 and name C   ) (resid  36 and name N   )
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assign (resid  36 and name N   ) (resid  36 and name CA  )
       (resid  36 and name C   ) (resid  37 and name N   )  1    -35.00     40.00   2 
assign (resid  36 and name C   ) (resid  37 and name N   )
       (resid  37 and name CA  ) (resid  37 and name C   )  1    -35.00    145.00   2 
assign (resid  37 and name C   ) (resid  38 and name N   )
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assign (resid  38 and name C   ) (resid  39 and name N   )
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assign (resid  40 and name C   ) (resid  41 and name N   )
       (resid  41 and name CA  ) (resid  41 and name C   )  1   -125.00     55.00   2 
assign (resid  41 and name N   ) (resid  41 and name CA  )
       (resid  41 and name C   ) (resid  42 and name N   )  1    120.00     60.00   2 
assign (resid  42 and name C   ) (resid  43 and name N   )
       (resid  43 and name CA  ) (resid  43 and name C   )  1   -120.00     45.00   2 
assign (resid  43 and name N   ) (resid  43 and name CA  )
       (resid  43 and name C   ) (resid  44 and name N   )  1    120.00     60.00   2 
assign (resid  43 and name C   ) (resid  44 and name N   )
       (resid  44 and name CA  ) (resid  44 and name C   )  1   -125.00     55.00   2 
assign (resid  44 and name N   ) (resid  44 and name CA  )
       (resid  44 and name C   ) (resid  45 and name N   )  1    120.00     60.00   2 
assign (resid  44 and name C   ) (resid  45 and name N   )
       (resid  45 and name CA  ) (resid  45 and name C   )  1   -120.00     45.00   2 
assign (resid  45 and name N   ) (resid  45 and name CA  )
       (resid  45 and name C   ) (resid  46 and name N   )  1    120.00     60.00   2 
assign (resid  45 and name C   ) (resid  46 and name N   )
       (resid  46 and name CA  ) (resid  46 and name C   )  1   -120.00     50.00   2 
assign (resid  46 and name N   ) (resid  46 and name CA  )
       (resid  46 and name C   ) (resid  47 and name N   )  1    120.00     60.00   2 
assign (resid  46 and name C   ) (resid  47 and name N   )
       (resid  47 and name CA  ) (resid  47 and name C   )  1     60.00    135.00   2 
assign (resid  50 and name C   ) (resid  51 and name N   )
       (resid  51 and name CA  ) (resid  51 and name C   )  1   -125.00     55.00   2 
assign (resid  51 and name N   ) (resid  51 and name CA  )
       (resid  51 and name C   ) (resid  52 and name N   )  1    120.00     60.00   2 
assign (resid  51 and name C   ) (resid  52 and name N   )
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assign (resid  52 and name N   ) (resid  52 and name CA  )
       (resid  52 and name C   ) (resid  53 and name N   )  1    120.00     60.00   2 
assign (resid  52 and name C   ) (resid  53 and name N   )
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assign (resid  53 and name N   ) (resid  53 and name CA  )
       (resid  53 and name C   ) (resid  54 and name N   )  1    120.00     60.00   2 
assign (resid  53 and name C   ) (resid  54 and name N   )
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assign (resid  54 and name N   ) (resid  54 and name CA  )
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assign (resid  55 and name C   ) (resid  56 and name N   )
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assign (resid  57 and name C   ) (resid  58 and name N   )
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assign (resid  58 and name C   ) (resid  59 and name N   )
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assign (resid  59 and name N   ) (resid  59 and name CA  )
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assign (resid  59 and name C   ) (resid  60 and name N   )
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assign (resid  60 and name N   ) (resid  60 and name CA  )
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assign (resid  60 and name C   ) (resid  61 and name N   )
       (resid  61 and name CA  ) (resid  61 and name C   )  1    -42.50    117.50   2 
assign (resid  62 and name C   ) (resid  63 and name N   )
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assign (resid  63 and name C   ) (resid  64 and name N   )
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!assign (resid  65 and name C   ) (resid  66 and name N   )
!       (resid  66 and name CA  ) (resid  66 and name C   )  1   -170.00     10.00   2
! really want above to be a split range [180,200] V [-80,-70] ...
! there actually seems to be no violation - but hard to express, so comment this out?
assign (resid  66 and name N   ) (resid  66 and name CA  )
       (resid  66 and name C   ) (resid  67 and name N   )  1    120.00     60.00   2 
assign (resid  66 and name C   ) (resid  67 and name N   )
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assign (resid  67 and name N   ) (resid  67 and name CA  )
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assign (resid  67 and name C   ) (resid  68 and name N   )
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assign (resid  68 and name N   ) (resid  68 and name CA  )
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assign (resid  68 and name C   ) (resid  69 and name N   )
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assign (resid  69 and name N   ) (resid  69 and name CA  )
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assign (resid  69 and name C   ) (resid  70 and name N   )
       (resid  70 and name CA  ) (resid  70 and name C   )  1   -120.00     45.00   2
assign (resid  70 and name N   ) (resid  70 and name CA  )
       (resid  70 and name C   ) (resid  71 and name N   )  1    120.00     60.00   2 
assign (resid  70 and name C   ) (resid  71 and name N   )
       (resid  71 and name CA  ) (resid  71 and name C   )  1   -120.00     40.00   2 
assign (resid  71 and name N   ) (resid  71 and name CA  )
       (resid  71 and name C   ) (resid  72 and name N   )  1    120.00     60.00   2
assign (resid  72 and name C   ) (resid  73 and name N   )
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assign (resid  81 and name C   ) (resid  82 and name N   )
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assign (resid  82 and name C   ) (resid  83 and name N   )
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assign (resid  83 and name N   ) (resid  83 and name CA  )
       (resid  83 and name C   ) (resid  84 and name N   )  1    120.00     60.00   2 
assign (resid  83 and name C   ) (resid  84 and name N   )
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assign (resid  84 and name N   ) (resid  84 and name CA  )
       (resid  84 and name C   ) (resid  85 and name N   )  1    120.00     60.00   2 
assign (resid  84 and name C   ) (resid  85 and name N   )
       (resid  85 and name CA  ) (resid  85 and name C   )  1   -120.00     40.00   2 
assign (resid  85 and name N   ) (resid  85 and name CA  )
       (resid  85 and name C   ) (resid  86 and name N   )  1    120.00     60.00   2 
assign (resid  85 and name C   ) (resid  86 and name N   )
       (resid  86 and name CA  ) (resid  86 and name C   )  1   -125.00     55.00   2 
assign (resid  86 and name N   ) (resid  86 and name CA  )
       (resid  86 and name C   ) (resid  87 and name N   )  1    120.00     60.00   2 
assign (resid  86 and name C   ) (resid  87 and name N   )
       (resid  87 and name CA  ) (resid  87 and name C   )  1   -125.00     55.00   2 
assign (resid  87 and name N   ) (resid  87 and name CA  )
       (resid  87 and name C   ) (resid  88 and name N   )  1    120.00     60.00   2 
assign (resid  87 and name C   ) (resid  88 and name N   )
       (resid  88 and name CA  ) (resid  88 and name C   )  1    -40.00    135.00   2 
assign (resid  88 and name C   ) (resid  89 and name N   )
       (resid  89 and name CA  ) (resid  89 and name C   )  1    -37.50    137.50   2 

!"Manual" Input of TALOS results
!
! ACO file produced (i.e. formatted) by PDBStat
! Version:  3.32 *STABLE* 2004-01-23 (troberto.quifis.uv.es)
!

 dihedral
   assign (resid   1 and name C   )   (resid   2 and name N   )
          (resid   2 and name CA  )   (resid   2 and name C   )   1.0   -120.39    40.00   2 
   assign (resid   2 and name N   )   (resid   2 and name CA  )
          (resid   2 and name C   )   (resid   3 and name N   )   1.0    142.63    50.00   2 
   assign (resid   2 and name C   )   (resid   3 and name N   )
          (resid   3 and name CA  )   (resid   3 and name C   )   1.0   -126.42    40.00   2 
   assign (resid   3 and name N   )   (resid   3 and name CA  )
          (resid   3 and name C   )   (resid   4 and name N   )   1.0    141.33    50.00   2 
   assign (resid   5 and name C   )   (resid   6 and name N   )
          (resid   6 and name CA  )   (resid   6 and name C   )   1.0   -118.44    40.00   2 
   assign (resid   6 and name N   )   (resid   6 and name CA  )
          (resid   6 and name C   )   (resid   7 and name N   )   1.0    132.51    50.00   2 
   assign (resid   7 and name C   )   (resid   8 and name N   )
          (resid   8 and name CA  )   (resid   8 and name C   )   1.0    -87.88    40.00   2 
   assign (resid   8 and name N   )   (resid   8 and name CA  )
          (resid   8 and name C   )   (resid   9 and name N   )   1.0    -31.59    50.00   2 
   assign (resid   9 and name C   )   (resid  10 and name N   )
          (resid  10 and name CA  )   (resid  10 and name C   )   1.0   -104.71    40.00   2 
   assign (resid  10 and name N   )   (resid  10 and name CA  )
          (resid  10 and name C   )   (resid  11 and name N   )   1.0    119.99    50.00   2 
   assign (resid  20 and name C   )   (resid  21 and name N   )
          (resid  21 and name CA  )   (resid  21 and name C   )   1.0   -109.78    40.00   2 
   assign (resid  21 and name N   )   (resid  21 and name CA  )
          (resid  21 and name C   )   (resid  22 and name N   )   1.0    129.97    50.00   2 
   assign (resid  22 and name C   )   (resid  23 and name N   )
          (resid  23 and name CA  )   (resid  23 and name C   )   1.0   -102.84    40.00   2 
   assign (resid  23 and name N   )   (resid  23 and name CA  )
          (resid  23 and name C   )   (resid  24 and name N   )   1.0    123.28    50.00   2 
   assign (resid  23 and name C   )   (resid  24 and name N   )
          (resid  24 and name CA  )   (resid  24 and name C   )   1.0   -123.14    40.00   2 
   assign (resid  24 and name N   )   (resid  24 and name CA  )
          (resid  24 and name C   )   (resid  25 and name N   )   1.0    149.47    50.00   2 
   assign (resid  30 and name C   )   (resid  31 and name N   )
          (resid  31 and name CA  )   (resid  31 and name C   )   1.0   -117.77    40.00   2 
   assign (resid  31 and name N   )   (resid  31 and name CA  )
          (resid  31 and name C   )   (resid  32 and name N   )   1.0    151.84    50.00   2 
   assign (resid  31 and name C   )   (resid  32 and name N   )
          (resid  32 and name CA  )   (resid  32 and name C   )   1.0    -62.83    40.00   2 
   assign (resid  32 and name N   )   (resid  32 and name CA  )
          (resid  32 and name C   )   (resid  33 and name N   )   1.0    -34.86    50.00   2 
   assign (resid  32 and name C   )   (resid  33 and name N   )
          (resid  33 and name CA  )   (resid  33 and name C   )   1.0    -64.98    40.00   2 
   assign (resid  33 and name N   )   (resid  33 and name CA  )
          (resid  33 and name C   )   (resid  34 and name N   )   1.0    -40.44    50.00   2 
   assign (resid  33 and name C   )   (resid  34 and name N   )
          (resid  34 and name CA  )   (resid  34 and name C   )   1.0    -66.37    40.00   2 
   assign (resid  34 and name N   )   (resid  34 and name CA  )
          (resid  34 and name C   )   (resid  35 and name N   )   1.0    -42.26    50.00   2 
   assign (resid  34 and name C   )   (resid  35 and name N   )
          (resid  35 and name CA  )   (resid  35 and name C   )   1.0    -62.86    40.00   2 
   assign (resid  35 and name N   )   (resid  35 and name CA  )
          (resid  35 and name C   )   (resid  36 and name N   )   1.0    -38.96    50.00   2 
   assign (resid  35 and name C   )   (resid  36 and name N   )
          (resid  36 and name CA  )   (resid  36 and name C   )   1.0    -67.39    40.00   2 
   assign (resid  36 and name N   )   (resid  36 and name CA  )
          (resid  36 and name C   )   (resid  37 and name N   )   1.0    -30.31    50.00   2 
   assign (resid  41 and name C   )   (resid  42 and name N   )
          (resid  42 and name CA  )   (resid  42 and name C   )   1.0   -114.14    40.00   2 
   assign (resid  42 and name N   )   (resid  42 and name CA  )
          (resid  42 and name C   )   (resid  43 and name N   )   1.0    142.29    50.00   2 
   assign (resid  42 and name C   )   (resid  43 and name N   )
          (resid  43 and name CA  )   (resid  43 and name C   )   1.0   -119.36    40.00   2 
   assign (resid  43 and name N   )   (resid  43 and name CA  )
          (resid  43 and name C   )   (resid  44 and name N   )   1.0    137.89    50.00   2 
   assign (resid  43 and name C   )   (resid  44 and name N   )
          (resid  44 and name CA  )   (resid  44 and name C   )   1.0   -109.47    40.00   2 
   assign (resid  44 and name N   )   (resid  44 and name CA  )
          (resid  44 and name C   )   (resid  45 and name N   )   1.0    131.74    50.00   2 
   assign (resid  44 and name C   )   (resid  45 and name N   )
          (resid  45 and name CA  )   (resid  45 and name C   )   1.0   -117.79    40.00   2 
   assign (resid  45 and name N   )   (resid  45 and name CA  )
          (resid  45 and name C   )   (resid  46 and name N   )   1.0    133.17    50.00   2 
   assign (resid  45 and name C   )   (resid  46 and name N   )
          (resid  46 and name CA  )   (resid  46 and name C   )   1.0   -113.66    40.00   2 
   assign (resid  46 and name N   )   (resid  46 and name CA  )
          (resid  46 and name C   )   (resid  47 and name N   )   1.0    117.53    50.00   2 
   assign (resid  51 and name C   )   (resid  52 and name N   )
          (resid  52 and name CA  )   (resid  52 and name C   )   1.0   -102.24    40.00   2 
   assign (resid  52 and name N   )   (resid  52 and name CA  )
          (resid  52 and name C   )   (resid  53 and name N   )   1.0    126.73    50.00   2 
   assign (resid  52 and name C   )   (resid  53 and name N   )
          (resid  53 and name CA  )   (resid  53 and name C   )   1.0   -106.04    40.00   2 
   assign (resid  53 and name N   )   (resid  53 and name CA  )
          (resid  53 and name C   )   (resid  54 and name N   )   1.0    133.49    50.00   2 
   assign (resid  53 and name C   )   (resid  54 and name N   )
          (resid  54 and name CA  )   (resid  54 and name C   )   1.0   -114.83    40.00   2 
   assign (resid  54 and name N   )   (resid  54 and name CA  )
          (resid  54 and name C   )   (resid  55 and name N   )   1.0    138.11    50.00   2 
   assign (resid  55 and name C   )   (resid  56 and name N   )
          (resid  56 and name CA  )   (resid  56 and name C   )   1.0   -122.49    40.00   2 
   assign (resid  56 and name N   )   (resid  56 and name CA  )
          (resid  56 and name C   )   (resid  57 and name N   )   1.0    143.25    50.00   2 
   assign (resid  58 and name C   )   (resid  59 and name N   )
          (resid  59 and name CA  )   (resid  59 and name C   )   1.0   -123.50    40.00   2 
   assign (resid  59 and name N   )   (resid  59 and name CA  )
          (resid  59 and name C   )   (resid  60 and name N   )   1.0    145.38    50.00   2 
   assign (resid  59 and name C   )   (resid  60 and name N   )
          (resid  60 and name CA  )   (resid  60 and name C   )   1.0   -101.52    40.00   2 
   assign (resid  60 and name N   )   (resid  60 and name CA  )
          (resid  60 and name C   )   (resid  61 and name N   )   1.0    126.95    50.00   2 
   assign (resid  60 and name C   )   (resid  61 and name N   )
          (resid  61 and name CA  )   (resid  61 and name C   )   1.0    -99.86    40.00   2 
   assign (resid  61 and name N   )   (resid  61 and name CA  )
          (resid  61 and name C   )   (resid  62 and name N   )   1.0    122.53    50.00   2 
   assign (resid  64 and name C   )   (resid  65 and name N   )
          (resid  65 and name CA  )   (resid  65 and name C   )   1.0    172.36    40.00   2 
   assign (resid  65 and name N   )   (resid  65 and name CA  )
          (resid  65 and name C   )   (resid  66 and name N   )   1.0    179.67    50.00   2 
   assign (resid  66 and name C   )   (resid  67 and name N   )
          (resid  67 and name CA  )   (resid  67 and name C   )   1.0   -134.23    40.00   2 
   assign (resid  67 and name N   )   (resid  67 and name CA  )
          (resid  67 and name C   )   (resid  68 and name N   )   1.0    157.17    50.00   2 
   assign (resid  67 and name C   )   (resid  68 and name N   )
          (resid  68 and name CA  )   (resid  68 and name C   )   1.0   -115.51    40.00   2 
   assign (resid  68 and name N   )   (resid  68 and name CA  )
          (resid  68 and name C   )   (resid  69 and name N   )   1.0    140.12    50.00   2 
   assign (resid  69 and name C   )   (resid  70 and name N   )
          (resid  70 and name CA  )   (resid  70 and name C   )   1.0   -108.21    40.00   2 
   assign (resid  70 and name N   )   (resid  70 and name CA  )
          (resid  70 and name C   )   (resid  71 and name N   )   1.0    116.10    50.00   2 
   assign (resid  70 and name C   )   (resid  71 and name N   )
          (resid  71 and name CA  )   (resid  71 and name C   )   1.0    -92.68    40.00   2 
   assign (resid  71 and name N   )   (resid  71 and name CA  )
          (resid  71 and name C   )   (resid  72 and name N   )   1.0    129.69    50.00   2 
   assign (resid  74 and name C   )   (resid  75 and name N   )
          (resid  75 and name CA  )   (resid  75 and name C   )   1.0    -97.97    40.00   2 
   assign (resid  75 and name N   )   (resid  75 and name CA  )
          (resid  75 and name C   )   (resid  76 and name N   )   1.0    126.59    50.00   2 
   assign (resid  81 and name C   )   (resid  82 and name N   )
          (resid  82 and name CA  )   (resid  82 and name C   )   1.0    -85.17    40.00   2 
   assign (resid  82 and name N   )   (resid  82 and name CA  )
          (resid  82 and name C   )   (resid  83 and name N   )   1.0    143.31    50.00   2 
   assign (resid  82 and name C   )   (resid  83 and name N   )
          (resid  83 and name CA  )   (resid  83 and name C   )   1.0   -105.42    40.00   2 
   assign (resid  83 and name N   )   (resid  83 and name CA  )
          (resid  83 and name C   )   (resid  84 and name N   )   1.0    139.94    50.00   2 
   assign (resid  83 and name C   )   (resid  84 and name N   )
          (resid  84 and name CA  )   (resid  84 and name C   )   1.0   -131.96    40.00   2 
   assign (resid  84 and name N   )   (resid  84 and name CA  )
          (resid  84 and name C   )   (resid  85 and name N   )   1.0    144.52    50.00   2 
   assign (resid  84 and name C   )   (resid  85 and name N   )
          (resid  85 and name CA  )   (resid  85 and name C   )   1.0   -119.28    40.00   2 
   assign (resid  85 and name N   )   (resid  85 and name CA  )
          (resid  85 and name C   )   (resid  86 and name N   )   1.0    135.68    50.00   2 
   assign (resid  85 and name C   )   (resid  86 and name N   )
          (resid  86 and name CA  )   (resid  86 and name C   )   1.0   -109.77    40.00   2 
   assign (resid  86 and name N   )   (resid  86 and name CA  )
          (resid  86 and name C   )   (resid  87 and name N   )   1.0    125.77    50.00   2 
   assign (resid  87 and name C   )   (resid  88 and name N   )
          (resid  88 and name CA  )   (resid  88 and name C   )   1.0    -93.25    40.00   2 
   assign (resid  88 and name N   )   (resid  88 and name CA  )
          (resid  88 and name C   )   (resid  89 and name N   )   1.0    129.43    50.00   2 
   assign (resid  89 and name C   )   (resid  90 and name N   )
          (resid  90 and name CA  )   (resid  90 and name C   )   1.0    -67.01    40.00   2 
   assign (resid  90 and name N   )   (resid  90 and name CA  )
          (resid  90 and name C   )   (resid  91 and name N   )   1.0    132.03    50.00   2 
 end

!END Manual Input

! H-Bond constraints
! created by  NOESY_Assign Version 2.0.0 Copyright(C) 1995-2003

assign (resid 3    and name O     )(resid 86   and name N     )    2.80  0.4  0.5
assign (resid 3    and name O     )(resid 86   and name HN    )     1.8  0.3  0.5
assign (resid 5    and name O     )(resid 84   and name N     )    2.80  0.4  0.5
assign (resid 5    and name O     )(resid 84   and name HN    )     1.8  0.3  0.5
assign (resid 6    and name O     )(resid 25   and name N     )    2.80  0.4  0.5
assign (resid 6    and name O     )(resid 25   and name HN    )     1.8  0.3  0.5
assign (resid 9    and name O     )(resid 23   and name N     )    2.80  0.4  0.5
assign (resid 9    and name O     )(resid 23   and name HN    )     1.8  0.3  0.5
assign (resid 11   and name O     )(resid 21   and name N     )    2.80  0.4  0.5
assign (resid 11   and name O     )(resid 21   and name HN    )     1.8  0.3  0.5
assign (resid 22   and name O     )(resid 69   and name N     )    2.80  0.4  0.5
assign (resid 22   and name O     )(resid 69   and name HN    )     1.8  0.3  0.5
assign (resid 24   and name O     )(resid 67   and name N     )    2.80  0.4  0.5
assign (resid 24   and name O     )(resid 67   and name HN    )     1.8  0.3  0.5
assign (resid 25   and name O     )(resid 6    and name N     )    2.80  0.4  0.5
assign (resid 25   and name O     )(resid 6    and name HN    )     1.8  0.3  0.5
assign (resid 32   and name O     )(resid 36   and name N     )    2.80  0.4  0.5
assign (resid 32   and name O     )(resid 36   and name HN    )     1.8  0.3  0.5
assign (resid 44   and name O     )(resid 87   and name N     )    2.80  0.4  0.5
assign (resid 44   and name O     )(resid 87   and name HN    )     1.8  0.3  0.5
assign (resid 45   and name O     )(resid 53   and name N     )    2.80  0.4  0.5
assign (resid 45   and name O     )(resid 53   and name HN    )     1.8  0.3  0.5
assign (resid 53   and name O     )(resid 45   and name N     )    2.80  0.4  0.5
assign (resid 53   and name O     )(resid 45   and name HN    )     1.8  0.3  0.5
assign (resid 67   and name O     )(resid 24   and name N     )    2.80  0.4  0.5
assign (resid 67   and name O     )(resid 24   and name HN    )     1.8  0.3  0.5
assign (resid 69   and name O     )(resid 22   and name N     )    2.80  0.4  0.5
assign (resid 69   and name O     )(resid 22   and name HN    )     1.8  0.3  0.5
assign (resid 84   and name O     )(resid 5    and name N     )    2.80  0.4  0.5
assign (resid 84   and name O     )(resid 5    and name HN    )     1.8  0.3  0.5
assign (resid 85   and name O     )(resid 44   and name N     )    2.80  0.4  0.5
assign (resid 85   and name O     )(resid 44   and name HN    )     1.8  0.3  0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  12.310  -6.934 -10.733
    2   2H    MET   1          2HT       MET   1  10.862  -6.219 -10.202
    3   3H    MET   1          3HT       MET   1  10.947  -7.900 -10.434
    4    HA   MET   1           HA       MET   1  11.658  -8.227  -8.381
    5   1HB   MET   1          2HB       MET   1  13.900  -7.413  -9.494
    6   2HB   MET   1          3HB       MET   1  13.636  -5.964  -8.523
    7   1HG   MET   1          2HG       MET   1  14.996  -7.489  -7.221
    8   2HG   MET   1          3HG       MET   1  13.387  -7.454  -6.502
    9   1HE   MET   1          1HE       MET   1  15.789  -9.443  -6.245
   10   2HE   MET   1          2HE       MET   1  15.181 -11.089  -6.388
   11   3HE   MET   1          3HE       MET   1  14.375  -9.953  -5.311
   12    H    ARG   2           H        ARG   2  11.685  -4.733  -9.089
   13    HA   ARG   2           HA       ARG   2  10.597  -4.101  -6.462
   14   1HB   ARG   2          2HB       ARG   2  11.807  -2.607  -8.702
   15   2HB   ARG   2          3HB       ARG   2  10.491  -1.765  -7.886
   16   1HG   ARG   2          2HG       ARG   2  12.616  -1.228  -6.796
   17   2HG   ARG   2          3HG       ARG   2  11.610  -2.179  -5.703
   18   1HD   ARG   2          2HD       ARG   2  13.898  -3.041  -5.674
   19   2HD   ARG   2          3HD       ARG   2  12.824  -4.230  -6.403
   20    HE   ARG   2           HE       ARG   2  13.829  -3.806  -8.498
   21   1HH1  ARG   2          1HH2      ARG   2  15.896  -3.055  -6.055
   22   2HH1  ARG   2          2HH2      ARG   2  16.864  -1.915  -6.931
   23   1HH2  ARG   2          1HH1      ARG   2  14.680  -1.743  -9.621
   24   2HH2  ARG   2          2HH1      ARG   2  16.171  -1.166  -8.954
   25    H    ILE   3           H        ILE   3   8.743  -2.403  -6.530
   26    HA   ILE   3           HA       ILE   3   6.748  -3.005  -8.594
   27    HB   ILE   3           HB       ILE   3   6.024  -3.280  -5.670
   28   1HG1  ILE   3          2HG1      ILE   3   6.776  -5.441  -7.671
   29   2HG1  ILE   3          3HG1      ILE   3   7.656  -5.038  -6.197
   30   1HG2  ILE   3          1HG2      ILE   3   4.673  -4.122  -8.258
   31   2HG2  ILE   3          2HG2      ILE   3   4.040  -4.423  -6.640
   32   3HG2  ILE   3          3HG2      ILE   3   4.187  -2.772  -7.235
   33   1HD1  ILE   3          1HD1      ILE   3   4.921  -6.295  -6.456
   34   2HD1  ILE   3          2HD1      ILE   3   6.343  -6.936  -5.631
   35   3HD1  ILE   3          3HD1      ILE   3   5.473  -5.562  -4.950
   36    H    LYS   4           H        LYS   4   4.841  -1.555  -8.405
   37    HA   LYS   4           HA       LYS   4   5.403   0.936  -6.944
   38   1HB   LYS   4          2HB       LYS   4   4.457   1.984  -9.238
   39   2HB   LYS   4          3HB       LYS   4   6.178   1.752  -8.933
   40   1HG   LYS   4          2HG       LYS   4   6.221  -0.292 -10.177
   41   2HG   LYS   4          3HG       LYS   4   4.460  -0.369 -10.239
   42   1HD   LYS   4          2HD       LYS   4   5.527   0.415 -12.385
   43   2HD   LYS   4          3HD       LYS   4   4.359   1.548 -11.710
   44   1HE   LYS   4          2HE       LYS   4   6.075   2.981 -10.881
   45   2HE   LYS   4          3HE       LYS   4   7.319   1.754 -11.119
   46   1HZ   LYS   4          1HZ       LYS   4   7.561   3.190 -12.916
   47   2HZ   LYS   4          2HZ       LYS   4   5.887   3.342 -13.159
   48   3HZ   LYS   4          3HZ       LYS   4   6.678   1.892 -13.561
   49    H    GLY   5           H        GLY   5   3.464   2.494  -7.371
   50   1HA   GLY   5          1HA       GLY   5   0.874   1.361  -7.787
   51   2HA   GLY   5          2HA       GLY   5   1.235   1.529  -6.070
   52    H    VAL   6           H        VAL   6  -0.784   3.000  -6.547
   53    HA   VAL   6           HA       VAL   6   0.262   5.742  -6.777
   54    HB   VAL   6           HB       VAL   6  -2.205   4.740  -8.231
   55   1HG1  VAL   6          1HG1      VAL   6  -1.932   7.155  -9.212
   56   2HG1  VAL   6          2HG1      VAL   6  -2.694   6.957  -7.635
   57   3HG1  VAL   6          3HG1      VAL   6  -1.008   7.461  -7.741
   58   1HG2  VAL   6          1HG2      VAL   6  -0.075   4.077  -9.319
   59   2HG2  VAL   6          2HG2      VAL   6  -0.920   5.299 -10.268
   60   3HG2  VAL   6          3HG2      VAL   6   0.462   5.755  -9.272
   61    H    VAL   7           H        VAL   7  -0.397   6.959  -5.160
   62    HA   VAL   7           HA       VAL   7  -2.026   5.994  -3.067
   63    HB   VAL   7           HB       VAL   7  -1.203   8.833  -3.736
   64   1HG1  VAL   7          1HG1      VAL   7  -3.059   8.803  -2.146
   65   2HG1  VAL   7          2HG1      VAL   7  -2.236   7.586  -1.172
   66   3HG1  VAL   7          3HG1      VAL   7  -1.569   9.212  -1.299
   67   1HG2  VAL   7          1HG2      VAL   7   0.089   6.560  -2.238
   68   2HG2  VAL   7          2HG2      VAL   7   0.799   7.647  -3.431
   69   3HG2  VAL   7          3HG2      VAL   7   0.454   8.231  -1.803
   70    H    LEU   8           H        LEU   8  -4.095   6.668  -2.378
   71    HA   LEU   8           HA       LEU   8  -5.840   7.619  -4.569
   72   1HB   LEU   8          2HB       LEU   8  -6.313   5.766  -2.240
   73   2HB   LEU   8          3HB       LEU   8  -7.656   6.553  -3.068
   74    HG   LEU   8           HG       LEU   8  -5.547   4.869  -4.453
   75   1HD1  LEU   8          1HD1      LEU   8  -6.759   3.272  -3.259
   76   2HD1  LEU   8          2HD1      LEU   8  -8.243   4.224  -3.295
   77   3HD1  LEU   8          3HD1      LEU   8  -7.702   3.380  -4.745
   78   1HD2  LEU   8          1HD2      LEU   8  -7.681   4.954  -6.119
   79   2HD2  LEU   8          2HD2      LEU   8  -7.864   6.521  -5.330
   80   3HD2  LEU   8          3HD2      LEU   8  -6.371   6.134  -6.186
   81    H    SER   9           H        SER   9  -5.780   7.603  -1.005
   82    HA   SER   9           HA       SER   9  -5.980  10.456  -0.816
   83   1HB   SER   9          2HB       SER   9  -8.344   9.621  -1.479
   84   2HB   SER   9          3HB       SER   9  -8.421   8.995   0.165
   85    HG   SER   9           HG       SER   9  -7.460  11.549   0.031
   86    H    TYR  10           H        TYR  10  -5.234  11.100   1.128
   87    HA   TYR  10           HA       TYR  10  -4.881   9.030   3.207
   88   1HB   TYR  10          2HB       TYR  10  -2.746   9.847   2.656
   89   2HB   TYR  10          3HB       TYR  10  -3.323  11.504   2.484
   90    HD1  TYR  10           HD1      TYR  10  -2.664  12.954   4.186
   91    HD2  TYR  10           HD2      TYR  10  -3.412   8.830   5.126
   92    HE1  TYR  10           HE1      TYR  10  -2.112  13.395   6.562
   93    HE2  TYR  10           HE2      TYR  10  -2.862   9.272   7.503
   94    HH   TYR  10           HH       TYR  10  -1.298  12.058   8.540
   95    H    ARG  11           H        ARG  11  -6.321   9.134   4.805
   96    HA   ARG  11           HA       ARG  11  -7.699  11.641   5.392
   97   1HB   ARG  11          2HB       ARG  11  -8.578   9.066   5.357
   98   2HB   ARG  11          3HB       ARG  11  -8.235   9.269   7.074
   99   1HG   ARG  11          2HG       ARG  11  -9.932  11.164   5.416
  100   2HG   ARG  11          3HG       ARG  11 -10.570   9.920   6.490
  101   1HD   ARG  11          2HD       ARG  11  -9.268  11.006   8.370
  102   2HD   ARG  11          3HD       ARG  11  -8.902  12.326   7.263
  103    HE   ARG  11           HE       ARG  11 -11.142  13.017   7.384
  104   1HH1  ARG  11          1HH1      ARG  11 -10.805   9.836   8.693
  105   2HH1  ARG  11          2HH1      ARG  11 -12.252   9.924   9.641
  106   1HH2  ARG  11          1HH2      ARG  11 -12.950  13.205   8.747
  107   2HH2  ARG  11          2HH2      ARG  11 -13.469  11.834   9.670
  108    H    ARG  12           H        ARG  12  -6.868  13.013   6.786
  109    HA   ARG  12           HA       ARG  12  -5.017  12.069   8.871
  110   1HB   ARG  12          2HB       ARG  12  -4.597  14.593   9.101
  111   2HB   ARG  12          3HB       ARG  12  -4.053  13.833   7.607
  112   1HG   ARG  12          2HG       ARG  12  -6.847  14.844   7.605
  113   2HG   ARG  12          3HG       ARG  12  -5.583  16.071   7.652
  114   1HD   ARG  12          2HD       ARG  12  -5.701  13.810   5.634
  115   2HD   ARG  12          3HD       ARG  12  -6.264  15.448   5.323
  116    HE   ARG  12           HE       ARG  12  -3.600  14.588   5.119
  117   1HH1  ARG  12          1HH1      ARG  12  -3.163  16.076   7.633
  118   2HH1  ARG  12          2HH1      ARG  12  -2.907  17.702   7.096
  119   1HH2  ARG  12          1HH2      ARG  12  -4.255  17.163   3.952
  120   2HH2  ARG  12          2HH2      ARG  12  -3.517  18.314   5.015
  121    H    SER  13           H        SER  13  -7.251  11.217   9.739
  122    HA   SER  13           HA       SER  13  -9.283  12.637  10.809
  123   1HB   SER  13          2HB       SER  13  -8.605  10.119  11.103
  124   2HB   SER  13          3HB       SER  13  -7.897  10.681  12.614
  125    HG   SER  13           HG       SER  13 -10.350  11.740  12.247
  126    H    LYS  14           H        LYS  14  -9.382  14.466  11.921
  127    HA   LYS  14           HA       LYS  14  -7.200  15.701  13.215
  128   1HB   LYS  14          2HB       LYS  14  -9.334  16.797  12.337
  129   2HB   LYS  14          3HB       LYS  14 -10.104  16.257  13.829
  130   1HG   LYS  14          2HG       LYS  14  -7.982  17.381  14.952
  131   2HG   LYS  14          3HG       LYS  14  -7.936  18.293  13.443
  132   1HD   LYS  14          2HD       LYS  14 -10.413  18.793  13.834
  133   2HD   LYS  14          3HD       LYS  14 -10.181  18.161  15.464
  134   1HE   LYS  14          2HE       LYS  14  -9.696  20.368  15.891
  135   2HE   LYS  14          3HE       LYS  14  -8.090  19.850  15.380
  136   1HZ   LYS  14          1HZ       LYS  14  -8.216  21.062  13.534
  137   2HZ   LYS  14          2HZ       LYS  14  -9.524  21.858  14.271
  138   3HZ   LYS  14          3HZ       LYS  14  -9.807  20.575  13.196
  139    H    GLU  15           H        GLU  15 -10.157  14.378  14.673
  140    HA   GLU  15           HA       GLU  15  -9.311  14.478  17.338
  141   1HB   GLU  15          2HB       GLU  15 -11.072  12.526  17.539
  142   2HB   GLU  15          3HB       GLU  15 -11.601  14.153  17.126
  143   1HG   GLU  15          2HG       GLU  15 -10.837  12.254  14.922
  144   2HG   GLU  15          3HG       GLU  15 -12.411  12.086  15.691
  145    H    ASN  16           H        ASN  16  -9.689  11.860  18.334
  146    HA   ASN  16           HA       ASN  16  -7.673  10.177  17.072
  147   1HB   ASN  16          2HB       ASN  16  -6.481  11.838  18.604
  148   2HB   ASN  16          3HB       ASN  16  -7.272  11.011  19.945
  149   1HD2  ASN  16          2HD2      ASN  16  -5.914   9.464  20.847
  150   2HD2  ASN  16          1HD2      ASN  16  -4.804   8.515  19.981
  151    H    GLN  17           H        GLN  17  -9.172   8.594  16.834
  152    HA   GLN  17           HA       GLN  17  -9.742   6.996  19.166
  153   1HB   GLN  17          2HB       GLN  17 -12.267   6.950  18.399
  154   2HB   GLN  17          3HB       GLN  17 -11.692   8.194  19.504
  155   1HG   GLN  17          2HG       GLN  17 -13.057   9.171  17.688
  156   2HG   GLN  17          3HG       GLN  17 -11.396   9.758  17.627
  157   1HE2  GLN  17          2HE2      GLN  17 -12.945   6.726  16.422
  158   2HE2  GLN  17          1HE2      GLN  17 -12.363   6.895  14.838
  159    H    HIS  18           H        HIS  18  -8.511   7.068  16.330
  160    HA   HIS  18           HA       HIS  18  -8.905   4.331  15.714
  161   1HB   HIS  18          2HB       HIS  18 -10.617   6.304  14.281
  162   2HB   HIS  18          3HB       HIS  18  -9.868   5.041  13.307
  163    HD1  HIS  18           HD1      HIS  18 -12.970   5.508  14.641
  164    HD2  HIS  18           HD2      HIS  18 -10.190   2.467  15.287
  165    HE1  HIS  18           HE1      HIS  18 -14.259   3.544  15.586
  166    H    ASN  19           H        ASN  19  -7.424   7.271  15.481
  167    HA   ASN  19           HA       ASN  19  -5.424   7.951  14.640
  168   1HB   ASN  19          2HB       ASN  19  -5.019   5.318  15.039
  169   2HB   ASN  19          3HB       ASN  19  -4.808   5.382  13.290
  170   1HD2  ASN  19          2HD2      ASN  19  -2.989   6.619  12.446
  171   2HD2  ASN  19          1HD2      ASN  19  -1.748   7.177  13.461
  172    H    ASN  20           H        ASN  20  -4.153   8.069  12.482
  173    HA   ASN  20           HA       ASN  20  -6.024   8.892  10.444
  174   1HB   ASN  20          2HB       ASN  20  -3.041   8.757  10.074
  175   2HB   ASN  20          3HB       ASN  20  -4.190   9.905   9.390
  176   1HD2  ASN  20          2HD2      ASN  20  -5.614  10.686  11.704
  177   2HD2  ASN  20          1HD2      ASN  20  -4.551  11.469  12.772
  178    H    VAL  21           H        VAL  21  -6.359   7.999   8.440
  179    HA   VAL  21           HA       VAL  21  -5.270   5.276   8.011
  180    HB   VAL  21           HB       VAL  21  -7.900   6.479   7.101
  181   1HG1  VAL  21          1HG1      VAL  21  -6.649   3.751   6.660
  182   2HG1  VAL  21          2HG1      VAL  21  -8.358   4.096   6.393
  183   3HG1  VAL  21          3HG1      VAL  21  -7.133   4.914   5.426
  184   1HG2  VAL  21          1HG2      VAL  21  -8.656   4.439   8.591
  185   2HG2  VAL  21          2HG2      VAL  21  -7.062   4.634   9.321
  186   3HG2  VAL  21          3HG2      VAL  21  -8.217   5.966   9.356
  187    H    MET  22           H        MET  22  -4.797   4.644   5.836
  188    HA   MET  22           HA       MET  22  -4.596   6.785   3.832
  189   1HB   MET  22          2HB       MET  22  -2.429   6.817   4.990
  190   2HB   MET  22          3HB       MET  22  -2.251   5.084   4.720
  191   1HG   MET  22          2HG       MET  22  -2.004   5.344   2.389
  192   2HG   MET  22          3HG       MET  22  -2.696   6.965   2.407
  193   1HE   MET  22          1HE       MET  22   1.007   6.654   1.217
  194   2HE   MET  22          2HE       MET  22  -0.033   8.060   1.018
  195   3HE   MET  22          3HE       MET  22  -0.700   6.444   0.801
  196    H    ILE  23           H        ILE  23  -5.356   6.053   1.968
  197    HA   ILE  23           HA       ILE  23  -5.523   3.150   1.522
  198    HB   ILE  23           HB       ILE  23  -6.833   5.328  -0.113
  199   1HG1  ILE  23          2HG1      ILE  23  -7.614   5.677   2.146
  200   2HG1  ILE  23          3HG1      ILE  23  -8.878   4.797   1.289
  201   1HG2  ILE  23          1HG2      ILE  23  -6.618   2.890  -0.924
  202   2HG2  ILE  23          2HG2      ILE  23  -7.747   2.488   0.369
  203   3HG2  ILE  23          3HG2      ILE  23  -8.236   3.591  -0.918
  204   1HD1  ILE  23          1HD1      ILE  23  -7.815   2.657   2.221
  205   2HD1  ILE  23          2HD1      ILE  23  -6.893   3.710   3.293
  206   3HD1  ILE  23          3HD1      ILE  23  -8.652   3.685   3.382
  207    H    ILE  24           H        ILE  24  -4.440   2.136  -0.065
  208    HA   ILE  24           HA       ILE  24  -2.905   3.771  -2.009
  209    HB   ILE  24           HB       ILE  24  -2.019   1.397  -0.366
  210   1HG1  ILE  24          2HG1      ILE  24  -0.561   3.964  -1.031
  211   2HG1  ILE  24          3HG1      ILE  24  -1.684   3.853   0.323
  212   1HG2  ILE  24          1HG2      ILE  24  -1.364   0.734  -2.554
  213   2HG2  ILE  24          2HG2      ILE  24  -0.955   2.386  -3.018
  214   3HG2  ILE  24          3HG2      ILE  24   0.064   1.513  -1.875
  215   1HD1  ILE  24          1HD1      ILE  24   0.503   3.409   1.208
  216   2HD1  ILE  24          2HD1      ILE  24  -0.336   1.860   1.140
  217   3HD1  ILE  24          3HD1      ILE  24   0.863   2.268  -0.086
  218    H    LYS  25           H        LYS  25  -2.543   2.779  -4.052
  219    HA   LYS  25           HA       LYS  25  -4.213   0.420  -4.628
  220   1HB   LYS  25          2HB       LYS  25  -5.613   2.281  -5.216
  221   2HB   LYS  25          3HB       LYS  25  -4.288   3.086  -6.054
  222   1HG   LYS  25          2HG       LYS  25  -4.330   1.578  -7.849
  223   2HG   LYS  25          3HG       LYS  25  -5.160   0.336  -6.913
  224   1HD   LYS  25          2HD       LYS  25  -6.550   2.953  -7.376
  225   2HD   LYS  25          3HD       LYS  25  -6.479   1.786  -8.696
  226   1HE   LYS  25          2HE       LYS  25  -7.473   1.130  -5.909
  227   2HE   LYS  25          3HE       LYS  25  -8.524   1.538  -7.264
  228   1HZ   LYS  25          1HZ       LYS  25  -6.726  -0.412  -8.128
  229   2HZ   LYS  25          2HZ       LYS  25  -8.409  -0.551  -7.929
  230   3HZ   LYS  25          3HZ       LYS  25  -7.364  -0.938  -6.647
  231    HA   PRO  26           HA       PRO  26  -0.162  -0.199  -6.615
  232   1HB   PRO  26          2HB       PRO  26  -0.709  -3.029  -6.584
  233   2HB   PRO  26          3HB       PRO  26   0.481  -2.133  -5.629
  234   1HG   PRO  26          2HG       PRO  26  -1.819  -3.357  -4.667
  235   2HG   PRO  26          3HG       PRO  26  -0.821  -2.177  -3.808
  236   1HD   PRO  26          2HD       PRO  26  -3.461  -1.805  -5.093
  237   2HD   PRO  26          3HD       PRO  26  -2.686  -0.855  -3.808
  238    H    LEU  27           H        LEU  27   0.178  -0.311  -8.765
  239    HA   LEU  27           HA       LEU  27  -1.350   0.054 -10.796
  240   1HB   LEU  27          2HB       LEU  27   0.966  -1.749 -10.519
  241   2HB   LEU  27          3HB       LEU  27   0.017  -1.942 -11.987
  242    HG   LEU  27           HG       LEU  27   0.181   0.512 -12.385
  243   1HD1  LEU  27          1HD1      LEU  27   2.084   1.623 -11.016
  244   2HD1  LEU  27          2HD1      LEU  27   0.511   1.449 -10.243
  245   3HD1  LEU  27          3HD1      LEU  27   1.813   0.326  -9.853
  246   1HD2  LEU  27          1HD2      LEU  27   2.836  -0.916 -12.023
  247   2HD2  LEU  27          2HD2      LEU  27   1.784  -1.047 -13.432
  248   3HD2  LEU  27          3HD2      LEU  27   2.558   0.491 -13.052
  249    H    ASP  28           H        ASP  28  -0.711  -3.415 -10.691
  250    HA   ASP  28           HA       ASP  28  -3.478  -3.855 -11.532
  251   1HB   ASP  28          2HB       ASP  28  -2.629  -6.254 -11.864
  252   2HB   ASP  28          3HB       ASP  28  -2.045  -5.005 -12.961
  253    H    VAL  29           H        VAL  29  -1.659  -6.305  -9.790
  254    HA   VAL  29           HA       VAL  29  -2.321  -7.622  -8.018
  255    HB   VAL  29           HB       VAL  29  -2.939  -4.866  -6.905
  256   1HG1  VAL  29          1HG1      VAL  29  -3.923  -6.034  -5.218
  257   2HG1  VAL  29          2HG1      VAL  29  -3.281  -7.572  -5.793
  258   3HG1  VAL  29          3HG1      VAL  29  -2.286  -6.521  -4.785
  259   1HG2  VAL  29          1HG2      VAL  29  -0.722  -5.194  -5.794
  260   2HG2  VAL  29          2HG2      VAL  29  -0.524  -6.694  -6.699
  261   3HG2  VAL  29          3HG2      VAL  29  -0.597  -5.153  -7.553
  262    H    ASN  30           H        ASN  30  -4.095  -7.586 -10.025
  263    HA   ASN  30           HA       ASN  30  -6.756  -7.012  -9.013
  264   1HB   ASN  30          2HB       ASN  30  -7.480  -7.698 -11.273
  265   2HB   ASN  30          3HB       ASN  30  -6.229  -6.465 -11.334
  266   1HD2  ASN  30          2HD2      ASN  30  -3.897  -7.432 -11.509
  267   2HD2  ASN  30          1HD2      ASN  30  -3.719  -8.766 -12.541
  268    H    SER  31           H        SER  31  -5.702  -8.837  -7.365
  269    HA   SER  31           HA       SER  31  -7.435 -11.113  -7.748
  270   1HB   SER  31          2HB       SER  31  -5.186 -12.540  -7.171
  271   2HB   SER  31          3HB       SER  31  -5.851 -12.361  -8.792
  272    HG   SER  31           HG       SER  31  -4.488 -10.504  -9.011
  273    H    ARG  32           H        ARG  32  -8.411 -11.126  -5.828
  274    HA   ARG  32           HA       ARG  32  -7.531 -10.054  -3.433
  275   1HB   ARG  32          2HB       ARG  32  -9.791 -10.698  -3.470
  276   2HB   ARG  32          3HB       ARG  32  -9.422 -12.314  -4.067
  277   1HG   ARG  32          2HG       ARG  32  -8.659 -13.049  -1.962
  278   2HG   ARG  32          3HG       ARG  32  -8.443 -11.404  -1.363
  279   1HD   ARG  32          2HD       ARG  32 -10.806 -11.060  -1.188
  280   2HD   ARG  32          3HD       ARG  32 -11.154 -12.515  -2.118
  281    HE   ARG  32           HE       ARG  32 -10.960 -13.725  -0.156
  282   1HH1  ARG  32          1HH2      ARG  32  -9.732 -10.523   0.295
  283   2HH1  ARG  32          2HH2      ARG  32  -9.183 -10.813   1.913
  284   1HH2  ARG  32          1HH1      ARG  32 -10.073 -14.163   1.908
  285   2HH2  ARG  32          2HH1      ARG  32  -9.378 -12.867   2.824
  286    H    GLU  33           H        GLU  33  -6.722 -13.074  -4.967
  287    HA   GLU  33           HA       GLU  33  -5.543 -14.434  -2.798
  288   1HB   GLU  33          2HB       GLU  33  -5.308 -14.549  -5.778
  289   2HB   GLU  33          3HB       GLU  33  -4.096 -15.389  -4.809
  290   1HG   GLU  33          2HG       GLU  33  -5.675 -16.825  -3.841
  291   2HG   GLU  33          3HG       GLU  33  -7.020 -15.745  -4.198
  292    H    GLU  34           H        GLU  34  -3.993 -12.532  -5.393
  293    HA   GLU  34           HA       GLU  34  -1.433 -12.463  -4.177
  294   1HB   GLU  34          2HB       GLU  34  -2.768 -10.972  -6.403
  295   2HB   GLU  34          3HB       GLU  34  -1.229 -10.382  -5.777
  296   1HG   GLU  34          2HG       GLU  34  -0.887 -11.923  -7.676
  297   2HG   GLU  34          3HG       GLU  34  -0.198 -12.579  -6.193
  298    H    ALA  35           H        ALA  35  -4.051 -10.046  -4.316
  299    HA   ALA  35           HA       ALA  35  -2.821  -8.020  -2.850
  300   1HB   ALA  35          1HB       ALA  35  -5.014  -7.140  -2.477
  301   2HB   ALA  35          2HB       ALA  35  -5.072  -7.940  -4.047
  302   3HB   ALA  35          3HB       ALA  35  -5.755  -8.733  -2.628
  303    H    SER  36           H        SER  36  -5.111 -10.454  -1.572
  304    HA   SER  36           HA       SER  36  -4.735  -9.916   1.138
  305   1HB   SER  36          2HB       SER  36  -6.494 -11.418   0.103
  306   2HB   SER  36          3HB       SER  36  -5.256 -12.666  -0.007
  307    HG   SER  36           HG       SER  36  -5.415 -12.971   2.065
  308    H    LYS  37           H        LYS  37  -2.907 -12.038  -1.028
  309    HA   LYS  37           HA       LYS  37  -1.252 -13.194   0.987
  310   1HB   LYS  37          2HB       LYS  37  -1.103 -13.005  -2.008
  311   2HB   LYS  37          3HB       LYS  37   0.245 -13.661  -1.084
  312   1HG   LYS  37          2HG       LYS  37  -1.116 -15.406  -0.161
  313   2HG   LYS  37          3HG       LYS  37  -2.595 -14.661  -0.766
  314   1HD   LYS  37          2HD       LYS  37  -1.759 -14.998  -3.103
  315   2HD   LYS  37          3HD       LYS  37  -0.365 -15.853  -2.442
  316   1HE   LYS  37          2HE       LYS  37  -2.249 -17.255  -1.197
  317   2HE   LYS  37          3HE       LYS  37  -3.231 -16.704  -2.557
  318   1HZ   LYS  37          1HZ       LYS  37  -1.531 -18.828  -2.571
  319   2HZ   LYS  37          2HZ       LYS  37  -0.637 -17.614  -3.357
  320   3HZ   LYS  37          3HZ       LYS  37  -2.169 -18.058  -3.942
  321    H    LEU  38           H        LEU  38  -1.206 -10.142  -0.625
  322    HA   LEU  38           HA       LEU  38   1.626  -9.692  -0.152
  323   1HB   LEU  38          2HB       LEU  38   1.295  -8.358  -1.922
  324   2HB   LEU  38          3HB       LEU  38  -0.450  -8.510  -1.777
  325    HG   LEU  38           HG       LEU  38   1.062  -6.645   0.045
  326   1HD1  LEU  38          1HD1      LEU  38   0.438  -4.852  -1.664
  327   2HD1  LEU  38          2HD1      LEU  38   1.799  -5.890  -2.088
  328   3HD1  LEU  38          3HD1      LEU  38   0.215  -6.172  -2.812
  329   1HD2  LEU  38          1HD2      LEU  38  -1.374  -7.248   0.415
  330   2HD2  LEU  38          2HD2      LEU  38  -1.079  -5.528   0.185
  331   3HD2  LEU  38          3HD2      LEU  38  -1.726  -6.495  -1.139
  332    H    ILE  39           H        ILE  39  -1.249  -9.403   1.640
  333    HA   ILE  39           HA       ILE  39  -0.809  -7.128   3.212
  334    HB   ILE  39           HB       ILE  39  -2.100  -9.781   3.886
  335   1HG1  ILE  39          2HG1      ILE  39  -3.278  -7.031   3.358
  336   2HG1  ILE  39          3HG1      ILE  39  -3.172  -8.314   2.153
  337   1HG2  ILE  39          1HG2      ILE  39  -3.139  -8.320   5.778
  338   2HG2  ILE  39          2HG2      ILE  39  -1.517  -8.967   6.017
  339   3HG2  ILE  39          3HG2      ILE  39  -1.733  -7.283   5.539
  340   1HD1  ILE  39          1HD1      ILE  39  -5.334  -8.619   2.995
  341   2HD1  ILE  39          2HD1      ILE  39  -4.399  -9.759   3.963
  342   3HD1  ILE  39          3HD1      ILE  39  -4.860  -8.198   4.641
  343    H    GLY  40           H        GLY  40   0.699  -6.614   4.695
  344   1HA   GLY  40          1HA       GLY  40   2.010  -7.210   6.651
  345   2HA   GLY  40          2HA       GLY  40   2.256  -8.801   5.941
  346    H    ARG  41           H        ARG  41   2.576  -7.161   3.288
  347    HA   ARG  41           HA       ARG  41   5.430  -7.188   3.307
  348   1HB   ARG  41          2HB       ARG  41   3.344  -6.315   1.320
  349   2HB   ARG  41          3HB       ARG  41   5.051  -5.984   1.033
  350   1HG   ARG  41          2HG       ARG  41   5.395  -8.513   1.585
  351   2HG   ARG  41          3HG       ARG  41   3.668  -8.650   1.262
  352   1HD   ARG  41          2HD       ARG  41   4.095  -7.496  -0.955
  353   2HD   ARG  41          3HD       ARG  41   5.817  -7.664  -0.627
  354    HE   ARG  41           HE       ARG  41   4.732 -10.205  -0.323
  355   1HH1  ARG  41          1HH2      ARG  41   5.438  -7.866  -2.758
  356   2HH1  ARG  41          2HH2      ARG  41   5.255  -8.972  -4.077
  357   1HH2  ARG  41          1HH1      ARG  41   4.299 -11.630  -2.079
  358   2HH2  ARG  41          2HH1      ARG  41   4.609 -11.091  -3.695
  359    H    LEU  42           H        LEU  42   6.775  -5.304   2.726
  360    HA   LEU  42           HA       LEU  42   5.917  -2.943   4.267
  361   1HB   LEU  42          2HB       LEU  42   8.047  -4.251   4.822
  362   2HB   LEU  42          3HB       LEU  42   8.717  -3.564   3.342
  363    HG   LEU  42           HG       LEU  42   7.741  -1.308   4.426
  364   1HD1  LEU  42          1HD1      LEU  42   6.855  -2.513   6.411
  365   2HD1  LEU  42          2HD1      LEU  42   8.492  -3.030   6.812
  366   3HD1  LEU  42          3HD1      LEU  42   8.070  -1.318   6.857
  367   1HD2  LEU  42          1HD2      LEU  42  10.364  -2.728   4.889
  368   2HD2  LEU  42          2HD2      LEU  42  10.016  -1.377   3.810
  369   3HD2  LEU  42          3HD2      LEU  42  10.082  -1.118   5.553
  370    H    VAL  43           H        VAL  43   5.512  -1.078   3.293
  371    HA   VAL  43           HA       VAL  43   6.028  -0.813   0.412
  372    HB   VAL  43           HB       VAL  43   4.581   1.301   0.773
  373   1HG1  VAL  43          1HG1      VAL  43   3.621  -1.549   1.068
  374   2HG1  VAL  43          2HG1      VAL  43   2.485  -0.202   0.971
  375   3HG1  VAL  43          3HG1      VAL  43   3.588  -0.523  -0.367
  376   1HG2  VAL  43          1HG2      VAL  43   4.926   1.091   3.338
  377   2HG2  VAL  43          2HG2      VAL  43   3.300   1.452   2.760
  378   3HG2  VAL  43          3HG2      VAL  43   3.716  -0.189   3.255
  379    H    LEU  44           H        LEU  44   8.043  -0.080   0.013
  380    HA   LEU  44           HA       LEU  44   9.108   2.119   1.674
  381   1HB   LEU  44          2HB       LEU  44  10.469  -0.016   1.259
  382   2HB   LEU  44          3HB       LEU  44  10.644   0.555  -0.400
  383    HG   LEU  44           HG       LEU  44  11.349   2.284   1.985
  384   1HD1  LEU  44          1HD1      LEU  44  12.676   0.117   1.904
  385   2HD1  LEU  44          2HD1      LEU  44  13.289   0.642   0.336
  386   3HD1  LEU  44          3HD1      LEU  44  13.639   1.589   1.783
  387   1HD2  LEU  44          1HD2      LEU  44  11.740   2.399  -0.997
  388   2HD2  LEU  44          2HD2      LEU  44  11.192   3.666   0.101
  389   3HD2  LEU  44          3HD2      LEU  44  12.894   3.208   0.061
  390    H    TRP  45           H        TRP  45   8.080   3.849   0.843
  391    HA   TRP  45           HA       TRP  45   8.179   4.390  -2.045
  392   1HB   TRP  45          2HB       TRP  45   6.004   4.672  -1.212
  393   2HB   TRP  45          3HB       TRP  45   6.565   5.437   0.267
  394    HD1  TRP  45           HD1      TRP  45   6.855   6.251  -3.523
  395    HE1  TRP  45           HE1      TRP  45   6.343   8.768  -3.831
  396    HE3  TRP  45           HE3      TRP  45   6.067   7.605   1.342
  397    HZ2  TRP  45           HZ2      TRP  45   5.720  11.037  -2.233
  398    HZ3  TRP  45           HZ3      TRP  45   5.522   9.956   1.913
  399    HH2  TRP  45           HH2      TRP  45   5.354  11.668   0.132
  400    H    LYS  46           H        LYS  46   9.322   6.000  -2.920
  401    HA   LYS  46           HA       LYS  46  11.357   7.312  -1.325
  402   1HB   LYS  46          2HB       LYS  46  10.719   7.115  -4.255
  403   2HB   LYS  46          3HB       LYS  46  11.855   8.333  -3.678
  404   1HG   LYS  46          2HG       LYS  46  13.154   6.530  -2.543
  405   2HG   LYS  46          3HG       LYS  46  12.058   5.338  -3.242
  406   1HD   LYS  46          2HD       LYS  46  12.673   6.163  -5.520
  407   2HD   LYS  46          3HD       LYS  46  13.839   7.258  -4.777
  408   1HE   LYS  46          2HE       LYS  46  14.679   5.023  -3.606
  409   2HE   LYS  46          3HE       LYS  46  13.923   4.274  -5.014
  410   1HZ   LYS  46          1HZ       LYS  46  15.282   6.298  -6.127
  411   2HZ   LYS  46          2HZ       LYS  46  15.879   4.715  -5.980
  412   3HZ   LYS  46          3HZ       LYS  46  16.309   5.898  -4.837
  413    H    SER  47           H        SER  47  11.751   9.718  -1.762
  414    HA   SER  47           HA       SER  47   9.652  11.445  -2.528
  415   1HB   SER  47          2HB       SER  47   9.103  10.285  -0.082
  416   2HB   SER  47          3HB       SER  47   9.861  11.806   0.375
  417    HG   SER  47           HG       SER  47   7.679  12.164   0.074
  418    HA   PRO  48           HA       PRO  48  12.904  14.411  -2.611
  419   1HB   PRO  48          2HB       PRO  48  11.451  16.500  -1.277
  420   2HB   PRO  48          3HB       PRO  48  11.743  16.308  -3.012
  421   1HG   PRO  48          2HG       PRO  48   9.355  15.705  -1.450
  422   2HG   PRO  48          3HG       PRO  48   9.536  15.930  -3.195
  423   1HD   PRO  48          2HD       PRO  48   9.036  13.503  -2.021
  424   2HD   PRO  48          3HD       PRO  48   9.865  13.685  -3.580
  425    H    SER  49           H        SER  49  13.988  16.121  -1.100
  426    HA   SER  49           HA       SER  49  15.211  16.521   0.800
  427   1HB   SER  49          2HB       SER  49  12.632  15.502   1.979
  428   2HB   SER  49          3HB       SER  49  13.998  15.928   3.004
  429    HG   SER  49           HG       SER  49  12.235  17.521   1.718
  430    H    GLY  50           H        GLY  50  14.822  13.668  -0.513
  431   1HA   GLY  50          1HA       GLY  50  15.896  11.645  -0.343
  432   2HA   GLY  50          2HA       GLY  50  16.961  12.404   0.836
  433    H    LYS  51           H        LYS  51  13.730  12.751   1.722
  434    HA   LYS  51           HA       LYS  51  14.035  11.006   3.984
  435   1HB   LYS  51          2HB       LYS  51  12.750  13.230   3.888
  436   2HB   LYS  51          3HB       LYS  51  11.461  12.312   3.114
  437   1HG   LYS  51          2HG       LYS  51  11.311  10.816   5.035
  438   2HG   LYS  51          3HG       LYS  51  12.695  11.602   5.795
  439   1HD   LYS  51          2HD       LYS  51  10.365  13.310   5.010
  440   2HD   LYS  51          3HD       LYS  51  10.202  12.291   6.439
  441   1HE   LYS  51          2HE       LYS  51  11.069  14.344   7.265
  442   2HE   LYS  51          3HE       LYS  51  12.467  13.271   7.184
  443   1HZ   LYS  51          1HZ       LYS  51  12.636  15.625   6.184
  444   2HZ   LYS  51          2HZ       LYS  51  11.766  14.969   4.881
  445   3HZ   LYS  51          3HZ       LYS  51  13.274  14.317   5.311
  446    H    ILE  52           H        ILE  52  14.155   8.885   3.332
  447    HA   ILE  52           HA       ILE  52  12.156   7.771   1.537
  448    HB   ILE  52           HB       ILE  52  14.308   6.368   3.142
  449   1HG1  ILE  52          2HG1      ILE  52  15.397   7.947   1.686
  450   2HG1  ILE  52          3HG1      ILE  52  15.505   6.374   0.899
  451   1HG2  ILE  52          1HG2      ILE  52  13.919   4.500   1.723
  452   2HG2  ILE  52          2HG2      ILE  52  12.312   5.048   2.200
  453   3HG2  ILE  52          3HG2      ILE  52  12.943   5.452   0.604
  454   1HD1  ILE  52          1HD1      ILE  52  13.696   8.693   0.218
  455   2HD1  ILE  52          2HD1      ILE  52  14.811   7.826  -0.837
  456   3HD1  ILE  52          3HD1      ILE  52  13.314   7.055  -0.313
  457    H    LEU  53           H        LEU  53  10.188   7.322   2.285
  458    HA   LEU  53           HA       LEU  53   9.874   6.668   5.136
  459   1HB   LEU  53          2HB       LEU  53   7.751   7.300   3.073
  460   2HB   LEU  53          3HB       LEU  53   7.513   7.148   4.815
  461    HG   LEU  53           HG       LEU  53   9.550   9.098   3.770
  462   1HD1  LEU  53          1HD1      LEU  53   6.552   9.490   3.855
  463   2HD1  LEU  53          2HD1      LEU  53   7.696  10.833   3.854
  464   3HD1  LEU  53          3HD1      LEU  53   7.636   9.727   2.483
  465   1HD2  LEU  53          1HD2      LEU  53   8.707  10.324   5.846
  466   2HD2  LEU  53          2HD2      LEU  53   7.783   8.868   6.220
  467   3HD2  LEU  53          3HD2      LEU  53   9.544   8.802   6.146
  468    H    LYS  54           H        LYS  54   8.847   4.819   5.832
  469    HA   LYS  54           HA       LYS  54   8.117   2.770   3.892
  470   1HB   LYS  54          2HB       LYS  54   9.552   1.282   5.643
  471   2HB   LYS  54          3HB       LYS  54  10.194   1.895   4.124
  472   1HG   LYS  54          2HG       LYS  54  11.317   3.677   5.169
  473   2HG   LYS  54          3HG       LYS  54  10.321   3.569   6.622
  474   1HD   LYS  54          2HD       LYS  54  11.463   1.693   7.427
  475   2HD   LYS  54          3HD       LYS  54  12.069   1.253   5.831
  476   1HE   LYS  54          2HE       LYS  54  13.668   2.407   7.606
  477   2HE   LYS  54          3HE       LYS  54  13.783   2.814   5.896
  478   1HZ   LYS  54          1HZ       LYS  54  12.726   4.387   8.118
  479   2HZ   LYS  54          2HZ       LYS  54  11.955   4.557   6.615
  480   3HZ   LYS  54          3HZ       LYS  54  13.613   4.886   6.762
  481    H    GLY  55           H        GLY  55   6.079   2.440   4.521
  482   1HA   GLY  55          1HA       GLY  55   5.462   2.201   7.401
  483   2HA   GLY  55          2HA       GLY  55   4.288   2.520   6.124
  484    H    LYS  56           H        LYS  56   2.987   0.728   6.763
  485    HA   LYS  56           HA       LYS  56   3.863  -1.776   5.581
  486   1HB   LYS  56          2HB       LYS  56   4.669  -1.743   8.017
  487   2HB   LYS  56          3HB       LYS  56   2.963  -1.856   8.456
  488   1HG   LYS  56          2HG       LYS  56   2.734  -3.908   7.135
  489   2HG   LYS  56          3HG       LYS  56   4.417  -3.790   6.624
  490   1HD   LYS  56          2HD       LYS  56   5.239  -4.403   8.699
  491   2HD   LYS  56          3HD       LYS  56   3.841  -3.762   9.561
  492   1HE   LYS  56          2HE       LYS  56   3.892  -6.287   7.882
  493   2HE   LYS  56          3HE       LYS  56   3.823  -6.211   9.641
  494   1HZ   LYS  56          1HZ       LYS  56   1.730  -4.883   9.337
  495   2HZ   LYS  56          2HZ       LYS  56   1.630  -6.524   8.908
  496   3HZ   LYS  56          3HZ       LYS  56   1.765  -5.335   7.703
  497    H    ILE  57           H        ILE  57   2.208  -3.026   4.881
  498    HA   ILE  57           HA       ILE  57  -0.410  -1.861   4.750
  499    HB   ILE  57           HB       ILE  57   0.507  -4.635   3.934
  500   1HG1  ILE  57          2HG1      ILE  57   0.274  -2.090   2.292
  501   2HG1  ILE  57          3HG1      ILE  57   1.794  -2.772   2.870
  502   1HG2  ILE  57          1HG2      ILE  57  -1.456  -4.533   2.427
  503   2HG2  ILE  57          2HG2      ILE  57  -1.942  -4.416   4.117
  504   3HG2  ILE  57          3HG2      ILE  57  -1.893  -2.969   3.112
  505   1HD1  ILE  57          1HD1      ILE  57   0.085  -3.627   0.631
  506   2HD1  ILE  57          2HD1      ILE  57   1.809  -3.884   0.894
  507   3HD1  ILE  57          3HD1      ILE  57   0.634  -4.949   1.662
  508    H    VAL  58           H        VAL  58  -2.180  -2.316   5.946
  509    HA   VAL  58           HA       VAL  58  -1.788  -4.107   8.241
  510    HB   VAL  58           HB       VAL  58  -4.125  -2.887   8.802
  511   1HG1  VAL  58          1HG1      VAL  58  -2.057  -2.898  10.170
  512   2HG1  VAL  58          2HG1      VAL  58  -1.373  -1.651   9.127
  513   3HG1  VAL  58          3HG1      VAL  58  -2.787  -1.293  10.117
  514   1HG2  VAL  58          1HG2      VAL  58  -2.570  -0.882   7.125
  515   2HG2  VAL  58          2HG2      VAL  58  -4.095  -1.625   6.643
  516   3HG2  VAL  58          3HG2      VAL  58  -4.038  -0.556   8.044
  517    H    ARG  59           H        ARG  59  -4.544  -3.262   6.103
  518    HA   ARG  59           HA       ARG  59  -5.135  -6.122   5.795
  519   1HB   ARG  59          2HB       ARG  59  -7.357  -4.218   6.518
  520   2HB   ARG  59          3HB       ARG  59  -7.364  -5.981   6.547
  521   1HG   ARG  59          2HG       ARG  59  -5.612  -5.861   8.377
  522   2HG   ARG  59          3HG       ARG  59  -5.898  -4.120   8.436
  523   1HD   ARG  59          2HD       ARG  59  -8.363  -4.664   8.775
  524   2HD   ARG  59          3HD       ARG  59  -7.874  -6.340   9.012
  525    HE   ARG  59           HE       ARG  59  -7.417  -5.685  11.178
  526   1HH1  ARG  59          1HH1      ARG  59  -7.915  -2.759   9.674
  527   2HH1  ARG  59          2HH1      ARG  59  -6.763  -1.858  10.602
  528   1HH2  ARG  59          1HH2      ARG  59  -5.375  -4.662  12.097
  529   2HH2  ARG  59          2HH2      ARG  59  -5.327  -2.935  11.973
  530    H    VAL  60           H        VAL  60  -6.668  -6.553   4.057
  531    HA   VAL  60           HA       VAL  60  -6.312  -4.667   1.866
  532    HB   VAL  60           HB       VAL  60  -5.911  -7.003   1.362
  533   1HG1  VAL  60          1HG1      VAL  60  -7.444  -8.744   1.740
  534   2HG1  VAL  60          2HG1      VAL  60  -7.607  -7.760   3.193
  535   3HG1  VAL  60          3HG1      VAL  60  -8.806  -7.637   1.906
  536   1HG2  VAL  60          1HG2      VAL  60  -7.211  -5.406  -0.252
  537   2HG2  VAL  60          2HG2      VAL  60  -7.144  -7.127  -0.630
  538   3HG2  VAL  60          3HG2      VAL  60  -8.592  -6.441   0.107
  539    H    HIS  61           H        HIS  61  -7.887  -3.548   0.847
  540    HA   HIS  61           HA       HIS  61 -10.678  -3.865   1.700
  541   1HB   HIS  61          2HB       HIS  61  -8.939  -1.498   2.174
  542   2HB   HIS  61          3HB       HIS  61 -10.566  -1.168   1.580
  543    HD1  HIS  61           HD1      HIS  61 -12.514  -1.563   3.175
  544    HD2  HIS  61           HD2      HIS  61  -8.876  -2.883   4.719
  545    HE1  HIS  61           HE1      HIS  61 -12.939  -2.148   5.600
  546    H    GLY  62           H        GLY  62 -10.768  -4.837  -0.379
  547   1HA   GLY  62          1HA       GLY  62 -12.003  -3.571  -2.386
  548   2HA   GLY  62          2HA       GLY  62 -10.313  -3.213  -2.748
  549    H    THR  63           H        THR  63 -10.680  -6.091  -1.061
  550    HA   THR  63           HA       THR  63 -10.216  -8.261  -1.590
  551    HB   THR  63           HB       THR  63 -11.645  -9.258  -3.345
  552    HG1  THR  63           HG1      THR  63 -12.917  -6.861  -3.825
  553   1HG2  THR  63          1HG2      THR  63 -12.495  -8.673  -1.036
  554   2HG2  THR  63          2HG2      THR  63 -13.171  -7.201  -1.733
  555   3HG2  THR  63          3HG2      THR  63 -13.745  -8.778  -2.276
  556    H    LYS  64           H        LYS  64 -10.685  -7.664  -4.984
  557    HA   LYS  64           HA       LYS  64  -7.888  -8.386  -5.478
  558   1HB   LYS  64          2HB       LYS  64  -9.855  -7.962  -7.685
  559   2HB   LYS  64          3HB       LYS  64  -8.583  -9.172  -7.530
  560   1HG   LYS  64          2HG       LYS  64  -9.956 -10.215  -5.661
  561   2HG   LYS  64          3HG       LYS  64 -11.264  -9.126  -6.123
  562   1HD   LYS  64          2HD       LYS  64  -9.917 -10.925  -8.143
  563   2HD   LYS  64          3HD       LYS  64 -11.282 -11.481  -7.173
  564   1HE   LYS  64          2HE       LYS  64 -12.522  -9.392  -7.973
  565   2HE   LYS  64          3HE       LYS  64 -11.222  -9.187  -9.145
  566   1HZ   LYS  64          1HZ       LYS  64 -12.906 -11.616  -8.869
  567   2HZ   LYS  64          2HZ       LYS  64 -11.689 -11.366 -10.029
  568   3HZ   LYS  64          3HZ       LYS  64 -13.101 -10.422 -10.056
  569    H    GLY  65           H        GLY  65  -7.949  -5.828  -4.462
  570   1HA   GLY  65          1HA       GLY  65  -7.025  -4.300  -6.742
  571   2HA   GLY  65          2HA       GLY  65  -8.419  -3.649  -5.902
  572    H    ALA  66           H        ALA  66  -7.887  -2.099  -4.660
  573    HA   ALA  66           HA       ALA  66  -5.282  -1.548  -3.693
  574   1HB   ALA  66          1HB       ALA  66  -6.479   0.396  -3.912
  575   2HB   ALA  66          2HB       ALA  66  -7.990  -0.351  -3.392
  576   3HB   ALA  66          3HB       ALA  66  -6.768   0.090  -2.199
  577    H    VAL  67           H        VAL  67  -5.156  -0.821  -1.271
  578    HA   VAL  67           HA       VAL  67  -6.344  -2.727   0.584
  579    HB   VAL  67           HB       VAL  67  -4.282  -3.630   1.386
  580   1HG1  VAL  67          1HG1      VAL  67  -5.177  -4.614  -0.745
  581   2HG1  VAL  67          2HG1      VAL  67  -4.046  -3.596  -1.637
  582   3HG1  VAL  67          3HG1      VAL  67  -3.442  -4.834  -0.536
  583   1HG2  VAL  67          1HG2      VAL  67  -2.787  -1.795   1.363
  584   2HG2  VAL  67          2HG2      VAL  67  -2.109  -2.906   0.173
  585   3HG2  VAL  67          3HG2      VAL  67  -3.035  -1.502  -0.358
  586    H    ARG  68           H        ARG  68  -5.654  -2.223   2.855
  587    HA   ARG  68           HA       ARG  68  -5.678   0.671   3.225
  588   1HB   ARG  68          2HB       ARG  68  -7.247  -0.816   4.469
  589   2HB   ARG  68          3HB       ARG  68  -5.863  -1.531   5.294
  590   1HG   ARG  68          2HG       ARG  68  -5.242   0.683   6.188
  591   2HG   ARG  68          3HG       ARG  68  -6.617   1.407   5.353
  592   1HD   ARG  68          2HD       ARG  68  -8.167   0.041   6.659
  593   2HD   ARG  68          3HD       ARG  68  -6.820  -0.777   7.446
  594    HE   ARG  68           HE       ARG  68  -6.285   1.728   8.136
  595   1HH1  ARG  68          1HH2      ARG  68  -9.368   1.852   7.219
  596   2HH1  ARG  68          2HH2      ARG  68 -10.096   2.012   8.782
  597   1HH2  ARG  68          1HH1      ARG  68  -7.205   1.175  10.509
  598   2HH2  ARG  68          2HH1      ARG  68  -8.871   1.629  10.644
  599    H    ALA  69           H        ALA  69  -4.195   1.811   4.460
  600    HA   ALA  69           HA       ALA  69  -1.777   0.467   5.408
  601   1HB   ALA  69          1HB       ALA  69  -1.816   2.550   3.219
  602   2HB   ALA  69          2HB       ALA  69  -0.381   2.222   4.191
  603   3HB   ALA  69          3HB       ALA  69  -1.073   0.950   3.185
  604    H    ARG  70           H        ARG  70  -0.345   2.028   6.580
  605    HA   ARG  70           HA       ARG  70  -1.666   4.451   7.559
  606   1HB   ARG  70          2HB       ARG  70  -0.833   2.184   9.393
  607   2HB   ARG  70          3HB       ARG  70  -1.360   3.783   9.922
  608   1HG   ARG  70          2HG       ARG  70  -3.528   3.399   8.700
  609   2HG   ARG  70          3HG       ARG  70  -2.997   1.746   8.384
  610   1HD   ARG  70          2HD       ARG  70  -4.473   1.966  10.405
  611   2HD   ARG  70          3HD       ARG  70  -2.901   1.249  10.742
  612    HE   ARG  70           HE       ARG  70  -3.125   4.140  11.136
  613   1HH1  ARG  70          1HH1      ARG  70  -4.448   1.604  12.820
  614   2HH1  ARG  70          2HH1      ARG  70  -3.544   1.833  14.280
  615   1HH2  ARG  70          1HH2      ARG  70  -1.375   4.158  12.888
  616   2HH2  ARG  70          2HH2      ARG  70  -1.804   3.282  14.320
  617    H    PHE  71           H        PHE  71  -0.238   5.960   8.430
  618    HA   PHE  71           HA       PHE  71   2.627   5.244   8.417
  619   1HB   PHE  71          2HB       PHE  71   1.334   7.618   7.055
  620   2HB   PHE  71          3HB       PHE  71   3.066   7.497   7.363
  621    HD1  PHE  71           HD1      PHE  71   0.214   5.722   5.709
  622    HD2  PHE  71           HD2      PHE  71   4.468   6.284   5.898
  623    HE1  PHE  71           HE1      PHE  71   0.488   4.350   3.663
  624    HE2  PHE  71           HE2      PHE  71   4.741   4.915   3.851
  625    HZ   PHE  71           HZ       PHE  71   2.752   3.948   2.732
  626    H    GLU  72           H        GLU  72   3.430   5.633  10.350
  627    HA   GLU  72           HA       GLU  72   2.144   7.491  12.182
  628   1HB   GLU  72          2HB       GLU  72   3.987   6.708  13.742
  629   2HB   GLU  72          3HB       GLU  72   2.892   5.448  13.176
  630   1HG   GLU  72          2HG       GLU  72   5.011   5.686  11.270
  631   2HG   GLU  72          3HG       GLU  72   5.733   5.594  12.874
  632    H    LYS  73           H        LYS  73   4.900   7.357  10.076
  633    HA   LYS  73           HA       LYS  73   6.219   9.658  11.271
  634   1HB   LYS  73          2HB       LYS  73   6.927   7.549   9.496
  635   2HB   LYS  73          3HB       LYS  73   7.182   9.072   8.648
  636   1HG   LYS  73          2HG       LYS  73   8.527   9.921  10.514
  637   2HG   LYS  73          3HG       LYS  73   8.245   8.428  11.415
  638   1HD   LYS  73          2HD       LYS  73   9.372   7.136   9.651
  639   2HD   LYS  73          3HD       LYS  73   9.635   8.614   8.724
  640   1HE   LYS  73          2HE       LYS  73  10.878   7.795  11.348
  641   2HE   LYS  73          3HE       LYS  73  11.680   8.290   9.859
  642   1HZ   LYS  73          1HZ       LYS  73  10.390   9.933  11.914
  643   2HZ   LYS  73          2HZ       LYS  73  10.346  10.483  10.307
  644   3HZ   LYS  73          3HZ       LYS  73  11.837  10.196  11.070
  645    H    GLY  74           H        GLY  74   3.693   9.092   9.144
  646   1HA   GLY  74          1HA       GLY  74   2.421  10.457   7.799
  647   2HA   GLY  74          2HA       GLY  74   3.194  11.816   8.611
  648    H    LEU  75           H        LEU  75   2.606  12.079   5.980
  649    HA   LEU  75           HA       LEU  75   5.091  11.554   4.492
  650   1HB   LEU  75          2HB       LEU  75   2.788  12.843   3.132
  651   2HB   LEU  75          3HB       LEU  75   3.856  11.559   2.570
  652    HG   LEU  75           HG       LEU  75   1.687  11.185   4.662
  653   1HD1  LEU  75          1HD1      LEU  75   1.747  10.431   1.723
  654   2HD1  LEU  75          2HD1      LEU  75   0.483   9.981   2.867
  655   3HD1  LEU  75          3HD1      LEU  75   0.729  11.676   2.446
  656   1HD2  LEU  75          1HD2      LEU  75   2.211   8.871   4.563
  657   2HD2  LEU  75          2HD2      LEU  75   3.151   9.060   3.083
  658   3HD2  LEU  75          3HD2      LEU  75   3.785   9.661   4.615
  659    HA   PRO  76           HA       PRO  76   6.288  15.778   4.433
  660   1HB   PRO  76          2HB       PRO  76   6.577  16.111   1.582
  661   2HB   PRO  76          3HB       PRO  76   7.833  15.773   2.781
  662   1HG   PRO  76          2HG       PRO  76   6.960  14.030   0.821
  663   2HG   PRO  76          3HG       PRO  76   7.880  13.589   2.265
  664   1HD   PRO  76          2HD       PRO  76   4.979  13.244   1.709
  665   2HD   PRO  76          3HD       PRO  76   6.050  12.290   2.757
  666    H    GLY  77           H        GLY  77   5.866  18.021   3.490
  667   1HA   GLY  77          1HA       GLY  77   3.222  18.761   3.734
  668   2HA   GLY  77          2HA       GLY  77   4.428  19.717   2.883
  669    H    GLN  78           H        GLN  78   1.554  18.019   2.585
  670    HA   GLN  78           HA       GLN  78   0.264  17.283   0.832
  671   1HB   GLN  78          2HB       GLN  78   0.591  19.849   0.497
  672   2HB   GLN  78          3HB       GLN  78   1.600  19.375  -0.868
  673   1HG   GLN  78          2HG       GLN  78  -1.302  18.606  -0.424
  674   2HG   GLN  78          3HG       GLN  78  -0.699  19.739  -1.630
  675   1HE2  GLN  78          2HE2      GLN  78   0.678  18.807  -3.399
  676   2HE2  GLN  78          1HE2      GLN  78   0.507  17.169  -3.811
  677    H    ALA  79           H        ALA  79   1.026  15.242   0.379
  678    HA   ALA  79           HA       ALA  79   2.862  15.052  -1.932
  679   1HB   ALA  79          1HB       ALA  79   4.295  14.285  -0.292
  680   2HB   ALA  79          2HB       ALA  79   2.988  13.652   0.707
  681   3HB   ALA  79          3HB       ALA  79   3.498  12.779  -0.737
  682    H    LEU  80           H        LEU  80  -0.140  14.922  -1.516
  683    HA   LEU  80           HA       LEU  80  -0.895  12.196  -2.036
  684   1HB   LEU  80          2HB       LEU  80  -2.305  14.848  -2.037
  685   2HB   LEU  80          3HB       LEU  80  -3.094  13.424  -2.707
  686    HG   LEU  80           HG       LEU  80  -3.591  13.841  -0.263
  687   1HD1  LEU  80          1HD1      LEU  80  -3.796  11.592   0.109
  688   2HD1  LEU  80          2HD1      LEU  80  -3.344  11.511  -1.592
  689   3HD1  LEU  80          3HD1      LEU  80  -2.126  11.254  -0.342
  690   1HD2  LEU  80          1HD2      LEU  80  -0.747  12.893   0.176
  691   2HD2  LEU  80          2HD2      LEU  80  -1.199  14.597   0.226
  692   3HD2  LEU  80          3HD2      LEU  80  -1.893  13.464   1.386
  693    H    GLY  81           H        GLY  81   0.242  11.502  -3.863
  694   1HA   GLY  81          1HA       GLY  81  -0.851  11.476  -6.301
  695   2HA   GLY  81          2HA       GLY  81   0.013  13.005  -6.355
  696    H    ASP  82           H        ASP  82   2.051  11.550  -4.432
  697    HA   ASP  82           HA       ASP  82   3.858  10.831  -6.533
  698   1HB   ASP  82          2HB       ASP  82   4.241  11.729  -4.028
  699   2HB   ASP  82          3HB       ASP  82   4.430  10.001  -3.739
  700    H    TYR  83           H        TYR  83   4.476   8.840  -7.234
  701    HA   TYR  83           HA       TYR  83   2.686   6.654  -6.851
  702   1HB   TYR  83          2HB       TYR  83   5.350   6.986  -8.226
  703   2HB   TYR  83          3HB       TYR  83   4.588   5.406  -8.089
  704    HD1  TYR  83           HD1      TYR  83   3.230   4.732  -9.854
  705    HD2  TYR  83           HD2      TYR  83   3.629   8.927  -9.006
  706    HE1  TYR  83           HE1      TYR  83   1.794   5.265 -11.803
  707    HE2  TYR  83           HE2      TYR  83   2.191   9.456 -10.953
  708    HH   TYR  83           HH       TYR  83   0.331   8.166 -12.265
  709    H    VAL  84           H        VAL  84   2.851   4.895  -5.520
  710    HA   VAL  84           HA       VAL  84   4.923   4.999  -3.450
  711    HB   VAL  84           HB       VAL  84   3.576   3.203  -2.362
  712   1HG1  VAL  84          1HG1      VAL  84   3.115   5.524  -1.796
  713   2HG1  VAL  84          2HG1      VAL  84   2.082   5.700  -3.214
  714   3HG1  VAL  84          3HG1      VAL  84   1.589   4.645  -1.889
  715   1HG2  VAL  84          1HG2      VAL  84   1.398   2.611  -3.307
  716   2HG2  VAL  84          2HG2      VAL  84   1.671   3.689  -4.674
  717   3HG2  VAL  84          3HG2      VAL  84   2.663   2.243  -4.479
  718    H    GLU  85           H        GLU  85   6.095   3.024  -2.880
  719    HA   GLU  85           HA       GLU  85   6.263   0.999  -4.987
  720   1HB   GLU  85          2HB       GLU  85   8.642   2.671  -4.125
  721   2HB   GLU  85          3HB       GLU  85   8.709   1.269  -5.191
  722   1HG   GLU  85          2HG       GLU  85   7.127   2.453  -6.744
  723   2HG   GLU  85          3HG       GLU  85   7.259   3.879  -5.718
  724    H    ILE  86           H        ILE  86   7.355  -0.891  -4.360
  725    HA   ILE  86           HA       ILE  86   7.651  -1.172  -1.425
  726    HB   ILE  86           HB       ILE  86   6.943  -3.211  -3.563
  727   1HG1  ILE  86          2HG1      ILE  86   5.025  -3.380  -1.646
  728   2HG1  ILE  86          3HG1      ILE  86   5.446  -1.674  -1.505
  729   1HG2  ILE  86          1HG2      ILE  86   8.071  -4.636  -2.179
  730   2HG2  ILE  86          2HG2      ILE  86   8.008  -3.526  -0.812
  731   3HG2  ILE  86          3HG2      ILE  86   6.606  -4.521  -1.205
  732   1HD1  ILE  86          1HD1      ILE  86   4.484  -3.141  -3.972
  733   2HD1  ILE  86          2HD1      ILE  86   3.699  -1.798  -3.142
  734   3HD1  ILE  86          3HD1      ILE  86   5.192  -1.528  -4.038
  735    H    VAL  87           H        VAL  87   9.822  -0.152  -1.865
  736    HA   VAL  87           HA       VAL  87  11.692  -1.980  -3.213
  737    HB   VAL  87           HB       VAL  87  12.570   0.595  -1.971
  738   1HG1  VAL  87          1HG1      VAL  87  14.094  -1.056  -3.157
  739   2HG1  VAL  87          2HG1      VAL  87  13.203  -0.702  -4.636
  740   3HG1  VAL  87          3HG1      VAL  87  14.113   0.574  -3.828
  741   1HG2  VAL  87          1HG2      VAL  87  11.047   0.351  -4.593
  742   2HG2  VAL  87          2HG2      VAL  87  10.452   1.157  -3.144
  743   3HG2  VAL  87          3HG2      VAL  87  11.845   1.810  -4.005
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  13.175  -6.957  -5.518
    2   2H    MET   1          2HT       MET   1  13.955  -7.462  -6.940
    3   3H    MET   1          3HT       MET   1  13.270  -8.610  -5.891
    4    HA   MET   1           HA       MET   1  12.078  -7.302  -8.062
    5   1HB   MET   1          2HB       MET   1  11.149  -9.281  -5.968
    6   2HB   MET   1          3HB       MET   1  10.140  -8.789  -7.330
    7   1HG   MET   1          2HG       MET   1  11.931  -9.508  -8.893
    8   2HG   MET   1          3HG       MET   1  12.884 -10.064  -7.518
    9   1HE   MET   1          1HE       MET   1  12.804 -12.778  -7.053
   10   2HE   MET   1          2HE       MET   1  13.191 -12.076  -8.622
   11   3HE   MET   1          3HE       MET   1  12.133 -13.481  -8.531
   12    H    ARG   2           H        ARG   2  11.580  -5.195  -7.837
   13    HA   ARG   2           HA       ARG   2   9.981  -4.320  -5.522
   14   1HB   ARG   2          2HB       ARG   2  10.457  -2.022  -6.704
   15   2HB   ARG   2          3HB       ARG   2  11.728  -2.808  -5.767
   16   1HG   ARG   2          2HG       ARG   2  12.897  -3.493  -7.659
   17   2HG   ARG   2          3HG       ARG   2  11.462  -3.466  -8.684
   18   1HD   ARG   2          2HD       ARG   2  11.438  -0.994  -8.564
   19   2HD   ARG   2          3HD       ARG   2  12.896  -1.036  -7.575
   20    HE   ARG   2           HE       ARG   2  12.757  -1.369 -10.430
   21   1HH1  ARG   2          1HH2      ARG   2  14.062  -3.891  -9.214
   22   2HH1  ARG   2          2HH2      ARG   2  15.737  -3.457  -9.280
   23   1HH2  ARG   2          1HH1      ARG   2  15.126  -0.091  -9.805
   24   2HH2  ARG   2          2HH1      ARG   2  16.337  -1.313  -9.615
   25    H    ILE   3           H        ILE   3   8.390  -2.489  -6.172
   26    HA   ILE   3           HA       ILE   3   7.026  -2.997  -8.711
   27    HB   ILE   3           HB       ILE   3   5.173  -2.901  -6.406
   28   1HG1  ILE   3          2HG1      ILE   3   6.858  -5.362  -6.996
   29   2HG1  ILE   3          3HG1      ILE   3   6.907  -4.416  -5.512
   30   1HG2  ILE   3          1HG2      ILE   3   4.694  -3.208  -8.941
   31   2HG2  ILE   3          2HG2      ILE   3   5.259  -4.861  -8.704
   32   3HG2  ILE   3          3HG2      ILE   3   3.854  -4.273  -7.816
   33   1HD1  ILE   3          1HD1      ILE   3   4.743  -6.238  -6.519
   34   2HD1  ILE   3          2HD1      ILE   3   5.473  -6.156  -4.916
   35   3HD1  ILE   3          3HD1      ILE   3   4.331  -4.913  -5.430
   36    H    LYS   4           H        LYS   4   4.879  -1.487  -8.589
   37    HA   LYS   4           HA       LYS   4   5.541   1.079  -7.330
   38   1HB   LYS   4          2HB       LYS   4   4.971   2.095  -9.694
   39   2HB   LYS   4          3HB       LYS   4   6.609   1.542  -9.339
   40   1HG   LYS   4          2HG       LYS   4   6.270  -0.525 -10.491
   41   2HG   LYS   4          3HG       LYS   4   4.529  -0.272 -10.581
   42   1HD   LYS   4          2HD       LYS   4   5.586   0.196 -12.755
   43   2HD   LYS   4          3HD       LYS   4   4.891   1.667 -12.073
   44   1HE   LYS   4          2HE       LYS   4   7.038   2.464 -11.369
   45   2HE   LYS   4          3HE       LYS   4   7.794   0.902 -11.687
   46   1HZ   LYS   4          1HZ       LYS   4   8.221   1.599 -13.727
   47   2HZ   LYS   4          2HZ       LYS   4   7.402   3.062 -13.451
   48   3HZ   LYS   4          3HZ       LYS   4   6.557   1.709 -14.038
   49    H    GLY   5           H        GLY   5   3.739   1.384  -6.190
   50   1HA   GLY   5          1HA       GLY   5   1.110   0.827  -7.385
   51   2HA   GLY   5          2HA       GLY   5   1.429   1.094  -5.675
   52    H    VAL   6           H        VAL   6  -0.574   2.535  -6.297
   53    HA   VAL   6           HA       VAL   6   0.465   5.266  -6.658
   54    HB   VAL   6           HB       VAL   6  -2.123   4.448  -7.972
   55   1HG1  VAL   6          1HG1      VAL   6  -0.148   6.690  -8.504
   56   2HG1  VAL   6          2HG1      VAL   6  -1.713   6.472  -9.286
   57   3HG1  VAL   6          3HG1      VAL   6  -1.635   6.857  -7.569
   58   1HG2  VAL   6          1HG2      VAL   6   0.691   4.223  -9.044
   59   2HG2  VAL   6          2HG2      VAL   6  -0.604   3.029  -9.110
   60   3HG2  VAL   6          3HG2      VAL   6  -0.680   4.474 -10.119
   61    H    VAL   7           H        VAL   7  -0.484   6.756  -5.388
   62    HA   VAL   7           HA       VAL   7  -2.168   5.850  -3.227
   63    HB   VAL   7           HB       VAL   7  -1.297   8.675  -3.892
   64   1HG1  VAL   7          1HG1      VAL   7  -2.388   7.301  -1.432
   65   2HG1  VAL   7          2HG1      VAL   7  -1.478   8.808  -1.322
   66   3HG1  VAL   7          3HG1      VAL   7  -2.990   8.753  -2.232
   67   1HG2  VAL   7          1HG2      VAL   7   0.076   6.531  -2.238
   68   2HG2  VAL   7          2HG2      VAL   7   0.673   7.236  -3.740
   69   3HG2  VAL   7          3HG2      VAL   7   0.562   8.225  -2.287
   70    H    LEU   8           H        LEU   8  -4.223   6.757  -2.687
   71    HA   LEU   8           HA       LEU   8  -5.702   7.887  -4.989
   72   1HB   LEU   8          2HB       LEU   8  -6.775   5.921  -2.952
   73   2HB   LEU   8          3HB       LEU   8  -7.646   6.579  -4.337
   74    HG   LEU   8           HG       LEU   8  -5.100   4.943  -4.558
   75   1HD1  LEU   8          1HD1      LEU   8  -6.697   3.173  -5.436
   76   2HD1  LEU   8          2HD1      LEU   8  -6.806   3.480  -3.701
   77   3HD1  LEU   8          3HD1      LEU   8  -8.016   4.154  -4.792
   78   1HD2  LEU   8          1HD2      LEU   8  -7.085   6.090  -6.530
   79   2HD2  LEU   8          2HD2      LEU   8  -5.333   6.279  -6.508
   80   3HD2  LEU   8          3HD2      LEU   8  -6.045   4.731  -6.956
   81    H    SER   9           H        SER   9  -5.572   7.519  -1.459
   82    HA   SER   9           HA       SER   9  -6.224  10.286  -1.048
   83   1HB   SER   9          2HB       SER   9  -8.283   9.470   0.439
   84   2HB   SER   9          3HB       SER   9  -8.478   9.903  -1.256
   85    HG   SER   9           HG       SER   9  -7.715   7.398  -1.218
   86    H    TYR  10           H        TYR  10  -5.207  10.910   0.744
   87    HA   TYR  10           HA       TYR  10  -4.391   8.856   2.695
   88   1HB   TYR  10          2HB       TYR  10  -2.475   9.994   1.908
   89   2HB   TYR  10          3HB       TYR  10  -3.280  11.560   1.949
   90    HD1  TYR  10           HD1      TYR  10  -2.482  12.961   3.613
   91    HD2  TYR  10           HD2      TYR  10  -2.754   8.746   4.397
   92    HE1  TYR  10           HE1      TYR  10  -1.649  13.337   5.918
   93    HE2  TYR  10           HE2      TYR  10  -1.922   9.121   6.703
   94    HH   TYR  10           HH       TYR  10  -1.074  12.398   7.841
   95    H    ARG  11           H        ARG  11  -5.448   8.760   4.570
   96    HA   ARG  11           HA       ARG  11  -7.294  10.893   5.307
   97   1HB   ARG  11          2HB       ARG  11  -7.649   8.279   5.431
   98   2HB   ARG  11          3HB       ARG  11  -6.858   8.459   6.994
   99   1HG   ARG  11          2HG       ARG  11  -8.522  10.201   7.614
  100   2HG   ARG  11          3HG       ARG  11  -9.334   9.951   6.067
  101   1HD   ARG  11          2HD       ARG  11  -9.072   8.016   8.372
  102   2HD   ARG  11          3HD       ARG  11 -10.547   8.612   7.614
  103    HE   ARG  11           HE       ARG  11  -8.671   6.683   6.377
  104   1HH1  ARG  11          1HH2      ARG  11 -11.743   6.700   7.509
  105   2HH1  ARG  11          2HH2      ARG  11 -12.534   6.286   6.024
  106   1HH2  ARG  11          1HH1      ARG  11  -9.710   6.795   4.073
  107   2HH2  ARG  11          2HH1      ARG  11 -11.382   6.343   4.077
  108    H    ARG  12           H        ARG  12  -6.445  12.582   6.328
  109    HA   ARG  12           HA       ARG  12  -4.208  12.245   8.181
  110   1HB   ARG  12          2HB       ARG  12  -4.438  14.113   6.403
  111   2HB   ARG  12          3HB       ARG  12  -5.583  14.845   7.526
  112   1HG   ARG  12          2HG       ARG  12  -3.835  14.752   9.310
  113   2HG   ARG  12          3HG       ARG  12  -2.693  14.132   8.117
  114   1HD   ARG  12          2HD       ARG  12  -3.018  16.176   6.759
  115   2HD   ARG  12          3HD       ARG  12  -4.132  16.799   7.973
  116    HE   ARG  12           HE       ARG  12  -1.828  16.246   9.368
  117   1HH1  ARG  12          1HH1      ARG  12  -2.729  19.032   9.229
  118   2HH1  ARG  12          2HH1      ARG  12  -1.478  19.823   8.330
  119   1HH2  ARG  12          1HH2      ARG  12  -0.180  16.873   7.043
  120   2HH2  ARG  12          2HH2      ARG  12  -0.034  18.599   7.087
  121    H    SER  13           H        SER  13  -6.087  10.929   9.374
  122    HA   SER  13           HA       SER  13  -7.406  10.730  11.232
  123   1HB   SER  13          2HB       SER  13  -5.958  11.465  12.798
  124   2HB   SER  13          3HB       SER  13  -5.447  12.828  11.813
  125    HG   SER  13           HG       SER  13  -7.087  12.807  13.903
  126    H    LYS  14           H        LYS  14  -7.445  14.272  11.260
  127    HA   LYS  14           HA       LYS  14  -9.143  15.796  11.055
  128   1HB   LYS  14          2HB       LYS  14 -10.588  13.704   9.413
  129   2HB   LYS  14          3HB       LYS  14 -10.792  15.455   9.355
  130   1HG   LYS  14          2HG       LYS  14  -8.282  15.535   8.727
  131   2HG   LYS  14          3HG       LYS  14  -8.449  13.812   8.394
  132   1HD   LYS  14          2HD       LYS  14 -10.129  16.008   7.142
  133   2HD   LYS  14          3HD       LYS  14  -8.798  15.164   6.349
  134   1HE   LYS  14          2HE       LYS  14 -10.226  13.026   7.123
  135   2HE   LYS  14          3HE       LYS  14 -11.542  14.193   6.993
  136   1HZ   LYS  14          1HZ       LYS  14  -9.988  14.590   4.761
  137   2HZ   LYS  14          2HZ       LYS  14 -11.499  13.818   4.825
  138   3HZ   LYS  14          3HZ       LYS  14 -10.071  12.904   4.931
  139    H    GLU  15           H        GLU  15 -11.844  15.676  11.103
  140    HA   GLU  15           HA       GLU  15 -12.480  15.188  13.774
  141   1HB   GLU  15          2HB       GLU  15 -14.877  15.270  12.989
  142   2HB   GLU  15          3HB       GLU  15 -13.891  16.639  12.477
  143   1HG   GLU  15          2HG       GLU  15 -14.097  14.222  10.704
  144   2HG   GLU  15          3HG       GLU  15 -15.415  15.388  10.722
  145    H    ASN  16           H        ASN  16 -14.548  13.697  14.240
  146    HA   ASN  16           HA       ASN  16 -15.117  11.540  14.808
  147   1HB   ASN  16          2HB       ASN  16 -15.973  11.869  12.406
  148   2HB   ASN  16          3HB       ASN  16 -14.600  10.877  11.911
  149   1HD2  ASN  16          2HD2      ASN  16 -17.508  10.838  14.007
  150   2HD2  ASN  16          1HD2      ASN  16 -17.675   9.148  14.004
  151    H    GLN  17           H        GLN  17 -13.427  10.920  16.137
  152    HA   GLN  17           HA       GLN  17 -10.860  10.260  15.660
  153   1HB   GLN  17          2HB       GLN  17 -12.124  10.007  17.852
  154   2HB   GLN  17          3HB       GLN  17 -12.617   8.413  17.279
  155   1HG   GLN  17          2HG       GLN  17 -10.675   7.844  18.408
  156   2HG   GLN  17          3HG       GLN  17 -10.020   8.146  16.800
  157   1HE2  GLN  17          2HE2      GLN  17  -8.873   8.538  19.655
  158   2HE2  GLN  17          1HE2      GLN  17  -8.273  10.125  19.622
  159    H    HIS  18           H        HIS  18  -9.697   8.814  14.570
  160    HA   HIS  18           HA       HIS  18 -10.497   6.188  13.884
  161   1HB   HIS  18          2HB       HIS  18 -12.005   7.623  12.370
  162   2HB   HIS  18          3HB       HIS  18 -10.529   8.064  11.515
  163    HD1  HIS  18           HD1      HIS  18 -12.355   6.595   9.766
  164    HD2  HIS  18           HD2      HIS  18  -9.832   4.532  12.368
  165    HE1  HIS  18           HE1      HIS  18 -12.137   4.247   8.846
  166    H    ASN  19           H        ASN  19  -8.339   8.371  14.535
  167    HA   ASN  19           HA       ASN  19  -6.111   8.684  14.271
  168   1HB   ASN  19          2HB       ASN  19  -4.770   6.758  14.266
  169   2HB   ASN  19          3HB       ASN  19  -6.290   6.205  14.959
  170   1HD2  ASN  19          2HD2      ASN  19  -4.596   6.386  11.775
  171   2HD2  ASN  19          1HD2      ASN  19  -5.273   4.950  11.175
  172    H    ASN  20           H        ASN  20  -4.219   8.473  12.659
  173    HA   ASN  20           HA       ASN  20  -5.182   9.467  10.118
  174   1HB   ASN  20          2HB       ASN  20  -2.810   9.888   9.643
  175   2HB   ASN  20          3HB       ASN  20  -3.255  10.518  11.228
  176   1HD2  ASN  20          2HD2      ASN  20  -1.047   8.470   9.592
  177   2HD2  ASN  20          1HD2      ASN  20  -0.369   7.726  10.960
  178    H    VAL  21           H        VAL  21  -5.790   8.103   8.563
  179    HA   VAL  21           HA       VAL  21  -4.374   5.521   8.297
  180    HB   VAL  21           HB       VAL  21  -7.058   6.280   7.119
  181   1HG1  VAL  21          1HG1      VAL  21  -5.418   3.760   7.302
  182   2HG1  VAL  21          2HG1      VAL  21  -7.175   3.667   7.187
  183   3HG1  VAL  21          3HG1      VAL  21  -6.247   4.443   5.903
  184   1HG2  VAL  21          1HG2      VAL  21  -8.118   5.208   8.962
  185   2HG2  VAL  21          2HG2      VAL  21  -6.600   4.520   9.537
  186   3HG2  VAL  21          3HG2      VAL  21  -6.902   6.251   9.697
  187    H    MET  22           H        MET  22  -4.260   4.728   5.971
  188    HA   MET  22           HA       MET  22  -3.969   6.867   3.994
  189   1HB   MET  22          2HB       MET  22  -1.777   6.745   5.133
  190   2HB   MET  22          3HB       MET  22  -1.687   5.023   4.760
  191   1HG   MET  22          2HG       MET  22  -1.215   5.388   2.548
  192   2HG   MET  22          3HG       MET  22  -2.218   6.836   2.465
  193   1HE   MET  22          1HE       MET  22  -0.433   8.052   1.007
  194   2HE   MET  22          2HE       MET  22   0.465   6.536   1.041
  195   3HE   MET  22          3HE       MET  22   1.297   8.053   1.376
  196    H    ILE  23           H        ILE  23  -4.885   6.179   2.172
  197    HA   ILE  23           HA       ILE  23  -5.214   3.293   1.730
  198    HB   ILE  23           HB       ILE  23  -6.502   5.703   0.429
  199   1HG1  ILE  23          2HG1      ILE  23  -7.665   3.461   2.116
  200   2HG1  ILE  23          3HG1      ILE  23  -7.230   5.048   2.750
  201   1HG2  ILE  23          1HG2      ILE  23  -6.719   2.745  -0.180
  202   2HG2  ILE  23          2HG2      ILE  23  -7.955   3.908  -0.662
  203   3HG2  ILE  23          3HG2      ILE  23  -6.314   4.050  -1.295
  204   1HD1  ILE  23          1HD1      ILE  23  -8.793   6.082   1.088
  205   2HD1  ILE  23          2HD1      ILE  23  -9.296   4.462   0.611
  206   3HD1  ILE  23          3HD1      ILE  23  -9.605   5.036   2.249
  207    H    ILE  24           H        ILE  24  -4.108   2.212   0.247
  208    HA   ILE  24           HA       ILE  24  -2.690   3.699  -1.879
  209    HB   ILE  24           HB       ILE  24  -1.561   1.529  -0.089
  210   1HG1  ILE  24          2HG1      ILE  24  -0.527   4.321  -0.664
  211   2HG1  ILE  24          3HG1      ILE  24  -1.553   3.938   0.720
  212   1HG2  ILE  24          1HG2      ILE  24  -0.780   1.015  -2.284
  213   2HG2  ILE  24          2HG2      ILE  24  -0.544   2.720  -2.678
  214   3HG2  ILE  24          3HG2      ILE  24   0.523   1.925  -1.521
  215   1HD1  ILE  24          1HD1      ILE  24   1.054   2.507   0.144
  216   2HD1  ILE  24          2HD1      ILE  24   0.932   3.905   1.211
  217   3HD1  ILE  24          3HD1      ILE  24   0.085   2.415   1.613
  218    H    LYS  25           H        LYS  25  -2.108   2.342  -3.716
  219    HA   LYS  25           HA       LYS  25  -3.662  -0.151  -3.944
  220   1HB   LYS  25          2HB       LYS  25  -5.000   1.730  -4.882
  221   2HB   LYS  25          3HB       LYS  25  -3.686   2.066  -6.008
  222   1HG   LYS  25          2HG       LYS  25  -3.927  -0.108  -7.044
  223   2HG   LYS  25          3HG       LYS  25  -5.088  -0.617  -5.816
  224   1HD   LYS  25          2HD       LYS  25  -6.780   0.771  -6.648
  225   2HD   LYS  25          3HD       LYS  25  -5.639   1.842  -7.460
  226   1HE   LYS  25          2HE       LYS  25  -5.247   0.281  -9.207
  227   2HE   LYS  25          3HE       LYS  25  -5.983  -1.041  -8.299
  228   1HZ   LYS  25          1HZ       LYS  25  -7.330   1.293  -9.525
  229   2HZ   LYS  25          2HZ       LYS  25  -8.095   0.285  -8.392
  230   3HZ   LYS  25          3HZ       LYS  25  -7.566  -0.349  -9.878
  231    HA   PRO  26           HA       PRO  26   0.602  -0.900  -5.401
  232   1HB   PRO  26          2HB       PRO  26   0.018  -3.718  -5.286
  233   2HB   PRO  26          3HB       PRO  26   1.092  -2.775  -4.248
  234   1HG   PRO  26          2HG       PRO  26  -1.440  -3.874  -3.608
  235   2HG   PRO  26          3HG       PRO  26  -0.381  -2.896  -2.588
  236   1HD   PRO  26          2HD       PRO  26  -2.877  -2.123  -3.799
  237   2HD   PRO  26          3HD       PRO  26  -1.829  -1.164  -2.740
  238    H    LEU  27           H        LEU  27  -0.480   0.037  -7.354
  239    HA   LEU  27           HA       LEU  27  -1.058   0.010  -9.543
  240   1HB   LEU  27          2HB       LEU  27   1.244  -1.112  -9.411
  241   2HB   LEU  27          3HB       LEU  27   0.389  -2.619  -9.687
  242    HG   LEU  27           HG       LEU  27  -0.638  -1.579 -11.743
  243   1HD1  LEU  27          1HD1      LEU  27   1.019   0.692 -10.736
  244   2HD1  LEU  27          2HD1      LEU  27   0.950   0.456 -12.482
  245   3HD1  LEU  27          3HD1      LEU  27  -0.535   0.721 -11.571
  246   1HD2  LEU  27          1HD2      LEU  27   1.422  -1.741 -13.098
  247   2HD2  LEU  27          2HD2      LEU  27   2.397  -1.620 -11.631
  248   3HD2  LEU  27          3HD2      LEU  27   1.364  -3.028 -11.891
  249    H    ASP  28           H        ASP  28  -1.069  -3.251 -10.356
  250    HA   ASP  28           HA       ASP  28  -3.911  -3.228 -10.719
  251   1HB   ASP  28          2HB       ASP  28  -3.535  -5.638 -11.474
  252   2HB   ASP  28          3HB       ASP  28  -2.748  -4.372 -12.413
  253    H    VAL  29           H        VAL  29  -2.437  -6.171  -9.499
  254    HA   VAL  29           HA       VAL  29  -3.071  -7.559  -7.785
  255    HB   VAL  29           HB       VAL  29  -3.355  -4.862  -6.428
  256   1HG1  VAL  29          1HG1      VAL  29  -4.569  -6.005  -4.869
  257   2HG1  VAL  29          2HG1      VAL  29  -4.071  -7.577  -5.491
  258   3HG1  VAL  29          3HG1      VAL  29  -3.009  -6.677  -4.404
  259   1HG2  VAL  29          1HG2      VAL  29  -1.237  -5.646  -5.326
  260   2HG2  VAL  29          2HG2      VAL  29  -1.259  -7.055  -6.383
  261   3HG2  VAL  29          3HG2      VAL  29  -1.082  -5.440  -7.071
  262    H    ASN  30           H        ASN  30  -4.874  -7.488  -9.623
  263    HA   ASN  30           HA       ASN  30  -7.475  -6.707  -8.561
  264   1HB   ASN  30          2HB       ASN  30  -8.222  -7.563 -10.852
  265   2HB   ASN  30          3HB       ASN  30  -7.190  -6.142 -10.836
  266   1HD2  ASN  30          2HD2      ASN  30  -5.503  -6.255 -12.302
  267   2HD2  ASN  30          1HD2      ASN  30  -4.779  -7.687 -12.853
  268    H    SER  31           H        SER  31  -6.394  -8.646  -6.991
  269    HA   SER  31           HA       SER  31  -8.335 -10.778  -7.251
  270   1HB   SER  31          2HB       SER  31  -6.794 -11.939  -8.560
  271   2HB   SER  31          3HB       SER  31  -5.409 -11.234  -7.733
  272    HG   SER  31           HG       SER  31  -5.865 -13.456  -7.170
  273    H    ARG  32           H        ARG  32  -9.092 -11.134  -5.265
  274    HA   ARG  32           HA       ARG  32  -8.006  -9.965  -2.962
  275   1HB   ARG  32          2HB       ARG  32 -10.355 -10.767  -3.110
  276   2HB   ARG  32          3HB       ARG  32  -9.771 -12.430  -3.097
  277   1HG   ARG  32          2HG       ARG  32  -8.595 -11.866  -0.901
  278   2HG   ARG  32          3HG       ARG  32  -9.525 -10.369  -0.893
  279   1HD   ARG  32          2HD       ARG  32 -10.546 -13.203  -0.748
  280   2HD   ARG  32          3HD       ARG  32 -10.805 -11.891   0.398
  281    HE   ARG  32           HE       ARG  32 -12.090 -10.835  -1.580
  282   1HH1  ARG  32          1HH2      ARG  32 -12.704 -13.673   0.048
  283   2HH1  ARG  32          2HH2      ARG  32 -13.819 -14.328  -1.104
  284   1HH2  ARG  32          1HH1      ARG  32 -13.155 -11.913  -3.509
  285   2HH2  ARG  32          2HH1      ARG  32 -14.075 -13.328  -3.122
  286    H    GLU  33           H        GLU  33  -7.424 -13.013  -4.565
  287    HA   GLU  33           HA       GLU  33  -6.027 -14.340  -2.489
  288   1HB   GLU  33          2HB       GLU  33  -6.842 -15.287  -4.753
  289   2HB   GLU  33          3HB       GLU  33  -5.343 -14.633  -5.414
  290   1HG   GLU  33          2HG       GLU  33  -4.153 -15.882  -3.504
  291   2HG   GLU  33          3HG       GLU  33  -5.674 -16.745  -3.279
  292    H    GLU  34           H        GLU  34  -4.820 -12.388  -5.228
  293    HA   GLU  34           HA       GLU  34  -2.100 -12.431  -4.399
  294   1HB   GLU  34          2HB       GLU  34  -2.767 -11.861  -6.706
  295   2HB   GLU  34          3HB       GLU  34  -3.558 -10.402  -6.119
  296   1HG   GLU  34          2HG       GLU  34  -1.297  -9.920  -7.012
  297   2HG   GLU  34          3HG       GLU  34  -1.418  -9.535  -5.300
  298    H    ALA  35           H        ALA  35  -4.656  -9.969  -4.100
  299    HA   ALA  35           HA       ALA  35  -3.223  -8.085  -2.621
  300   1HB   ALA  35          1HB       ALA  35  -6.164  -8.646  -2.200
  301   2HB   ALA  35          2HB       ALA  35  -5.322  -7.100  -2.102
  302   3HB   ALA  35          3HB       ALA  35  -5.566  -7.874  -3.668
  303    H    SER  36           H        SER  36  -5.246 -10.800  -1.501
  304    HA   SER  36           HA       SER  36  -4.834 -10.423   1.272
  305   1HB   SER  36          2HB       SER  36  -5.586 -12.737   1.521
  306   2HB   SER  36          3HB       SER  36  -6.610 -11.893   0.364
  307    HG   SER  36           HG       SER  36  -5.262 -12.822  -1.286
  308    H    LYS  37           H        LYS  37  -2.991 -12.068  -1.211
  309    HA   LYS  37           HA       LYS  37  -1.280 -13.562   0.471
  310   1HB   LYS  37          2HB       LYS  37  -1.578 -14.062  -1.910
  311   2HB   LYS  37          3HB       LYS  37  -0.800 -12.539  -2.335
  312   1HG   LYS  37          2HG       LYS  37   1.264 -13.283  -1.184
  313   2HG   LYS  37          3HG       LYS  37   0.484 -14.816  -0.803
  314   1HD   LYS  37          2HD       LYS  37   0.390 -15.472  -3.074
  315   2HD   LYS  37          3HD       LYS  37   0.675 -13.829  -3.646
  316   1HE   LYS  37          2HE       LYS  37   2.712 -15.426  -2.069
  317   2HE   LYS  37          3HE       LYS  37   2.683 -15.349  -3.830
  318   1HZ   LYS  37          1HZ       LYS  37   2.760 -12.917  -2.148
  319   2HZ   LYS  37          2HZ       LYS  37   3.107 -13.063  -3.804
  320   3HZ   LYS  37          3HZ       LYS  37   4.171 -13.708  -2.652
  321    H    LEU  38           H        LEU  38  -0.474 -10.588  -1.381
  322    HA   LEU  38           HA       LEU  38   1.932 -10.239   0.162
  323   1HB   LEU  38          2HB       LEU  38   2.530  -8.665  -1.390
  324   2HB   LEU  38          3HB       LEU  38   1.340  -9.546  -2.337
  325    HG   LEU  38           HG       LEU  38   0.817  -6.996  -0.772
  326   1HD1  LEU  38          1HD1      LEU  38   0.812  -5.857  -2.831
  327   2HD1  LEU  38          2HD1      LEU  38   2.190  -6.946  -2.980
  328   3HD1  LEU  38          3HD1      LEU  38   0.656  -7.347  -3.760
  329   1HD2  LEU  38          1HD2      LEU  38  -1.033  -8.301  -2.765
  330   2HD2  LEU  38          2HD2      LEU  38  -1.080  -8.753  -1.063
  331   3HD2  LEU  38          3HD2      LEU  38  -1.413  -7.090  -1.541
  332    H    ILE  39           H        ILE  39  -1.109  -9.841   1.109
  333    HA   ILE  39           HA       ILE  39  -1.380  -7.261   2.120
  334    HB   ILE  39           HB       ILE  39  -3.052  -9.231   2.156
  335   1HG1  ILE  39          2HG1      ILE  39  -2.805  -7.537   4.661
  336   2HG1  ILE  39          3HG1      ILE  39  -3.451  -6.954   3.127
  337   1HG2  ILE  39          1HG2      ILE  39  -1.915  -9.683   4.913
  338   2HG2  ILE  39          2HG2      ILE  39  -3.081 -10.664   4.031
  339   3HG2  ILE  39          3HG2      ILE  39  -1.391 -10.646   3.532
  340   1HD1  ILE  39          1HD1      ILE  39  -5.284  -7.657   4.612
  341   2HD1  ILE  39          2HD1      ILE  39  -5.196  -8.713   3.203
  342   3HD1  ILE  39          3HD1      ILE  39  -4.565  -9.260   4.756
  343    H    GLY  40           H        GLY  40   0.041  -6.157   3.320
  344   1HA   GLY  40          1HA       GLY  40   1.066  -5.766   5.459
  345   2HA   GLY  40          2HA       GLY  40   1.301  -7.501   5.625
  346    H    ARG  41           H        ARG  41   2.008  -6.265   2.511
  347    HA   ARG  41           HA       ARG  41   4.771  -6.984   2.696
  348   1HB   ARG  41          2HB       ARG  41   3.297  -7.006   0.599
  349   2HB   ARG  41          3HB       ARG  41   3.527  -5.261   0.543
  350   1HG   ARG  41          2HG       ARG  41   5.197  -6.301  -0.880
  351   2HG   ARG  41          3HG       ARG  41   6.009  -5.644   0.538
  352   1HD   ARG  41          2HD       ARG  41   6.483  -7.728   1.404
  353   2HD   ARG  41          3HD       ARG  41   5.050  -8.467   0.694
  354    HE   ARG  41           HE       ARG  41   7.244  -7.647  -1.091
  355   1HH1  ARG  41          1HH2      ARG  41   6.026 -10.206   0.836
  356   2HH1  ARG  41          2HH2      ARG  41   6.311 -11.436  -0.349
  357   1HH2  ARG  41          1HH1      ARG  41   7.336  -9.207  -2.799
  358   2HH2  ARG  41          2HH1      ARG  41   7.047 -10.869  -2.411
  359    H    LEU  42           H        LEU  42   6.601  -5.542   2.419
  360    HA   LEU  42           HA       LEU  42   6.296  -3.091   3.952
  361   1HB   LEU  42          2HB       LEU  42   8.199  -4.526   4.432
  362   2HB   LEU  42          3HB       LEU  42   8.729  -4.437   2.753
  363    HG   LEU  42           HG       LEU  42   9.205  -2.072   2.951
  364   1HD1  LEU  42          1HD1      LEU  42   8.921  -1.054   5.333
  365   2HD1  LEU  42          2HD1      LEU  42   7.497  -1.177   4.299
  366   3HD1  LEU  42          3HD1      LEU  42   7.759  -2.359   5.581
  367   1HD2  LEU  42          1HD2      LEU  42  10.934  -3.619   3.819
  368   2HD2  LEU  42          2HD2      LEU  42  10.936  -2.095   4.706
  369   3HD2  LEU  42          3HD2      LEU  42  10.202  -3.530   5.421
  370    H    VAL  43           H        VAL  43   5.468  -1.419   2.852
  371    HA   VAL  43           HA       VAL  43   6.156  -0.934   0.054
  372    HB   VAL  43           HB       VAL  43   4.534   0.909   0.233
  373   1HG1  VAL  43          1HG1      VAL  43   3.587  -1.697   1.471
  374   2HG1  VAL  43          2HG1      VAL  43   2.541  -0.483   0.732
  375   3HG1  VAL  43          3HG1      VAL  43   3.709  -1.353  -0.255
  376   1HG2  VAL  43          1HG2      VAL  43   4.669   1.804   2.385
  377   2HG2  VAL  43          2HG2      VAL  43   3.207   0.829   2.524
  378   3HG2  VAL  43          3HG2      VAL  43   4.741   0.219   3.152
  379    H    LEU  44           H        LEU  44   8.080  -0.040  -0.320
  380    HA   LEU  44           HA       LEU  44   9.015   2.122   1.468
  381   1HB   LEU  44          2HB       LEU  44  10.469   0.026   1.057
  382   2HB   LEU  44          3HB       LEU  44  10.730   0.692  -0.556
  383    HG   LEU  44           HG       LEU  44  11.241   2.248   1.998
  384   1HD1  LEU  44          1HD1      LEU  44  13.575   1.741   1.756
  385   2HD1  LEU  44          2HD1      LEU  44  12.720   0.201   1.685
  386   3HD1  LEU  44          3HD1      LEU  44  13.305   0.951   0.203
  387   1HD2  LEU  44          1HD2      LEU  44  11.618   2.734  -0.944
  388   2HD2  LEU  44          2HD2      LEU  44  11.020   3.833   0.300
  389   3HD2  LEU  44          3HD2      LEU  44  12.743   3.473   0.195
  390    H    TRP  45           H        TRP  45   8.020   3.841   0.630
  391    HA   TRP  45           HA       TRP  45   8.189   4.427  -2.242
  392   1HB   TRP  45          2HB       TRP  45   5.993   4.696  -1.469
  393   2HB   TRP  45          3HB       TRP  45   6.510   5.408   0.052
  394    HD1  TRP  45           HD1      TRP  45   7.082   6.414  -3.670
  395    HE1  TRP  45           HE1      TRP  45   6.500   8.923  -3.899
  396    HE3  TRP  45           HE3      TRP  45   5.729   7.465   1.145
  397    HZ2  TRP  45           HZ2      TRP  45   5.620  11.078  -2.265
  398    HZ3  TRP  45           HZ3      TRP  45   5.025   9.756   1.776
  399    HH2  TRP  45           HH2      TRP  45   4.969  11.561   0.080
  400    H    LYS  46           H        LYS  46   9.836   5.614  -2.924
  401    HA   LYS  46           HA       LYS  46  11.387   7.256  -1.090
  402   1HB   LYS  46          2HB       LYS  46  12.690   5.987  -2.624
  403   2HB   LYS  46          3HB       LYS  46  11.709   6.497  -3.998
  404   1HG   LYS  46          2HG       LYS  46  12.549   8.745  -3.875
  405   2HG   LYS  46          3HG       LYS  46  13.306   8.443  -2.312
  406   1HD   LYS  46          2HD       LYS  46  14.865   6.860  -3.337
  407   2HD   LYS  46          3HD       LYS  46  14.072   7.060  -4.901
  408   1HE   LYS  46          2HE       LYS  46  15.953   8.499  -5.005
  409   2HE   LYS  46          3HE       LYS  46  14.597   9.567  -4.646
  410   1HZ   LYS  46          1HZ       LYS  46  16.666   9.842  -3.243
  411   2HZ   LYS  46          2HZ       LYS  46  16.251   8.366  -2.509
  412   3HZ   LYS  46          3HZ       LYS  46  15.197   9.696  -2.406
  413    H    SER  47           H        SER  47  10.312   9.099  -0.568
  414    HA   SER  47           HA       SER  47   8.678  10.576  -2.342
  415   1HB   SER  47          2HB       SER  47   9.210  10.642   0.372
  416   2HB   SER  47          3HB       SER  47   9.872  12.171  -0.201
  417    HG   SER  47           HG       SER  47   7.906  12.837  -0.500
  418    HA   PRO  48           HA       PRO  48  11.485  13.220  -4.482
  419   1HB   PRO  48          2HB       PRO  48  10.427  15.792  -3.720
  420   2HB   PRO  48          3HB       PRO  48  10.117  14.868  -5.198
  421   1HG   PRO  48          2HG       PRO  48   8.279  15.373  -3.194
  422   2HG   PRO  48          3HG       PRO  48   8.140  14.118  -4.436
  423   1HD   PRO  48          2HD       PRO  48   8.904  13.855  -1.570
  424   2HD   PRO  48          3HD       PRO  48   8.102  12.686  -2.641
  425    H    SER  49           H        SER  49  10.868  14.941  -1.405
  426    HA   SER  49           HA       SER  49  13.422  16.201  -1.320
  427   1HB   SER  49          2HB       SER  49  11.350  15.726   0.833
  428   2HB   SER  49          3HB       SER  49  12.784  16.727   1.045
  429    HG   SER  49           HG       SER  49  11.524  18.218   0.246
  430    H    GLY  50           H        GLY  50  13.805  13.431  -1.772
  431   1HA   GLY  50          1HA       GLY  50  15.079  11.652  -1.088
  432   2HA   GLY  50          2HA       GLY  50  15.915  12.814  -0.069
  433    H    LYS  51           H        LYS  51  12.709  12.869   0.812
  434    HA   LYS  51           HA       LYS  51  13.239  11.515   3.287
  435   1HB   LYS  51          2HB       LYS  51  11.759  13.502   3.136
  436   2HB   LYS  51          3HB       LYS  51  10.606  12.549   2.203
  437   1HG   LYS  51          2HG       LYS  51   9.878  11.397   4.033
  438   2HG   LYS  51          3HG       LYS  51  11.489  11.303   4.742
  439   1HD   LYS  51          2HD       LYS  51  10.069  12.704   6.149
  440   2HD   LYS  51          3HD       LYS  51  11.309  13.702   5.390
  441   1HE   LYS  51          2HE       LYS  51   9.258  13.771   3.534
  442   2HE   LYS  51          3HE       LYS  51   8.393  13.782   5.070
  443   1HZ   LYS  51          1HZ       LYS  51   8.913  16.018   4.441
  444   2HZ   LYS  51          2HZ       LYS  51  10.554  15.636   4.236
  445   3HZ   LYS  51          3HZ       LYS  51   9.859  15.605   5.787
  446    H    ILE  52           H        ILE  52  13.534   9.367   3.083
  447    HA   ILE  52           HA       ILE  52  11.799   7.751   1.408
  448    HB   ILE  52           HB       ILE  52  13.925   6.832   3.348
  449   1HG1  ILE  52          2HG1      ILE  52  15.007   8.397   1.875
  450   2HG1  ILE  52          3HG1      ILE  52  15.374   6.792   1.249
  451   1HG2  ILE  52          1HG2      ILE  52  12.532   5.604   0.960
  452   2HG2  ILE  52          2HG2      ILE  52  14.020   4.945   1.636
  453   3HG2  ILE  52          3HG2      ILE  52  12.560   5.010   2.620
  454   1HD1  ILE  52          1HD1      ILE  52  13.358   8.787   0.191
  455   2HD1  ILE  52          2HD1      ILE  52  14.735   8.084  -0.654
  456   3HD1  ILE  52          3HD1      ILE  52  13.331   7.087  -0.279
  457    H    LEU  53           H        LEU  53   9.805   7.387   2.139
  458    HA   LEU  53           HA       LEU  53   9.427   6.825   5.014
  459   1HB   LEU  53          2HB       LEU  53   7.360   7.549   2.922
  460   2HB   LEU  53          3HB       LEU  53   7.085   7.387   4.657
  461    HG   LEU  53           HG       LEU  53   9.168   9.298   3.601
  462   1HD1  LEU  53          1HD1      LEU  53   7.242  10.068   2.452
  463   2HD1  LEU  53          2HD1      LEU  53   6.182   9.704   3.814
  464   3HD1  LEU  53          3HD1      LEU  53   7.313  11.056   3.912
  465   1HD2  LEU  53          1HD2      LEU  53   7.507   9.083   6.132
  466   2HD2  LEU  53          2HD2      LEU  53   9.251   8.859   5.978
  467   3HD2  LEU  53          3HD2      LEU  53   8.547  10.460   5.756
  468    H    LYS  54           H        LYS  54   8.449   4.951   5.691
  469    HA   LYS  54           HA       LYS  54   7.518   3.006   3.738
  470   1HB   LYS  54          2HB       LYS  54   9.074   1.390   5.232
  471   2HB   LYS  54          3HB       LYS  54   9.602   2.108   3.715
  472   1HG   LYS  54          2HG       LYS  54  10.702   3.921   4.874
  473   2HG   LYS  54          3HG       LYS  54  10.022   3.405   6.418
  474   1HD   LYS  54          2HD       LYS  54  11.247   1.154   5.945
  475   2HD   LYS  54          3HD       LYS  54  12.179   2.091   4.775
  476   1HE   LYS  54          2HE       LYS  54  13.494   2.379   6.663
  477   2HE   LYS  54          3HE       LYS  54  12.427   3.773   6.815
  478   1HZ   LYS  54          1HZ       LYS  54  12.157   2.892   8.865
  479   2HZ   LYS  54          2HZ       LYS  54  12.497   1.304   8.367
  480   3HZ   LYS  54          3HZ       LYS  54  10.969   1.980   8.068
  481    H    GLY  55           H        GLY  55   5.624   2.342   4.503
  482   1HA   GLY  55          1HA       GLY  55   5.272   2.011   7.430
  483   2HA   GLY  55          2HA       GLY  55   3.970   2.427   6.316
  484    H    LYS  56           H        LYS  56   2.766   0.569   7.030
  485    HA   LYS  56           HA       LYS  56   3.474  -1.829   5.537
  486   1HB   LYS  56          2HB       LYS  56   4.563  -2.306   7.661
  487   2HB   LYS  56          3HB       LYS  56   3.087  -1.903   8.544
  488   1HG   LYS  56          2HG       LYS  56   1.904  -3.766   7.543
  489   2HG   LYS  56          3HG       LYS  56   3.255  -4.105   6.462
  490   1HD   LYS  56          2HD       LYS  56   3.701  -4.113   9.435
  491   2HD   LYS  56          3HD       LYS  56   2.964  -5.516   8.662
  492   1HE   LYS  56          2HE       LYS  56   4.887  -5.620   7.080
  493   2HE   LYS  56          3HE       LYS  56   5.637  -4.277   7.942
  494   1HZ   LYS  56          1HZ       LYS  56   6.316  -5.623   9.552
  495   2HZ   LYS  56          2HZ       LYS  56   5.897  -6.925   8.544
  496   3HZ   LYS  56          3HZ       LYS  56   4.795  -6.357   9.705
  497    H    ILE  57           H        ILE  57   1.745  -2.887   4.800
  498    HA   ILE  57           HA       ILE  57  -0.830  -1.707   4.943
  499    HB   ILE  57           HB       ILE  57  -0.038  -4.481   4.014
  500   1HG1  ILE  57          2HG1      ILE  57  -0.449  -2.037   2.293
  501   2HG1  ILE  57          3HG1      ILE  57   1.125  -2.400   2.996
  502   1HG2  ILE  57          1HG2      ILE  57  -2.582  -3.539   4.398
  503   2HG2  ILE  57          2HG2      ILE  57  -2.276  -3.032   2.738
  504   3HG2  ILE  57          3HG2      ILE  57  -2.144  -4.733   3.177
  505   1HD1  ILE  57          1HD1      ILE  57   1.521  -3.954   1.422
  506   2HD1  ILE  57          2HD1      ILE  57   0.016  -4.786   1.813
  507   3HD1  ILE  57          3HD1      ILE  57   0.019  -3.478   0.632
  508    H    VAL  58           H        VAL  58  -2.623  -2.241   6.132
  509    HA   VAL  58           HA       VAL  58  -2.170  -4.084   8.394
  510    HB   VAL  58           HB       VAL  58  -4.315  -2.793   9.224
  511   1HG1  VAL  58          1HG1      VAL  58  -2.409  -2.529  10.532
  512   2HG1  VAL  58          2HG1      VAL  58  -1.436  -1.941   9.183
  513   3HG1  VAL  58          3HG1      VAL  58  -2.635  -0.885   9.934
  514   1HG2  VAL  58          1HG2      VAL  58  -4.477  -1.623   6.935
  515   2HG2  VAL  58          2HG2      VAL  58  -4.569  -0.584   8.354
  516   3HG2  VAL  58          3HG2      VAL  58  -3.069  -0.689   7.435
  517    H    ARG  59           H        ARG  59  -4.611  -3.143   5.978
  518    HA   ARG  59           HA       ARG  59  -5.613  -5.889   5.962
  519   1HB   ARG  59          2HB       ARG  59  -7.562  -3.612   6.336
  520   2HB   ARG  59          3HB       ARG  59  -7.879  -5.343   6.424
  521   1HG   ARG  59          2HG       ARG  59  -6.383  -5.473   8.427
  522   2HG   ARG  59          3HG       ARG  59  -6.207  -3.719   8.367
  523   1HD   ARG  59          2HD       ARG  59  -7.974  -4.492   9.976
  524   2HD   ARG  59          3HD       ARG  59  -8.574  -3.399   8.732
  525    HE   ARG  59           HE       ARG  59  -9.834  -5.155   7.856
  526   1HH1  ARG  59          1HH1      ARG  59  -9.074  -6.056  10.903
  527   2HH1  ARG  59          2HH1      ARG  59  -9.038  -7.766  10.635
  528   1HH2  ARG  59          1HH2      ARG  59  -9.104  -7.493   7.178
  529   2HH2  ARG  59          2HH2      ARG  59  -9.051  -8.580   8.525
  530    H    VAL  60           H        VAL  60  -7.049  -6.311   4.153
  531    HA   VAL  60           HA       VAL  60  -6.321  -4.698   1.819
  532    HB   VAL  60           HB       VAL  60  -5.982  -7.108   1.662
  533   1HG1  VAL  60          1HG1      VAL  60  -7.644  -8.707   2.044
  534   2HG1  VAL  60          2HG1      VAL  60  -8.014  -7.511   3.284
  535   3HG1  VAL  60          3HG1      VAL  60  -8.954  -7.554   1.791
  536   1HG2  VAL  60          1HG2      VAL  60  -6.818  -5.696  -0.315
  537   2HG2  VAL  60          2HG2      VAL  60  -7.020  -7.441  -0.453
  538   3HG2  VAL  60          3HG2      VAL  60  -8.397  -6.425  -0.026
  539    H    HIS  61           H        HIS  61  -7.629  -3.143   1.162
  540    HA   HIS  61           HA       HIS  61 -10.510  -3.299   1.775
  541   1HB   HIS  61          2HB       HIS  61  -9.069  -1.265   2.443
  542   2HB   HIS  61          3HB       HIS  61  -9.048  -0.874   0.723
  543    HD1  HIS  61           HD1      HIS  61 -11.547  -1.488   3.535
  544    HD2  HIS  61           HD2      HIS  61 -11.359   0.392  -0.183
  545    HE1  HIS  61           HE1      HIS  61 -13.737  -0.250   3.244
  546    H    GLY  62           H        GLY  62 -11.841  -3.891   0.190
  547   1HA   GLY  62          1HA       GLY  62 -12.818  -3.598  -1.963
  548   2HA   GLY  62          2HA       GLY  62 -11.249  -3.093  -2.580
  549    H    THR  63           H        THR  63 -10.987  -5.787  -0.565
  550    HA   THR  63           HA       THR  63 -10.333  -7.940  -0.951
  551    HB   THR  63           HB       THR  63 -11.873  -9.290  -2.309
  552    HG1  THR  63           HG1      THR  63 -12.315  -6.912  -3.491
  553   1HG2  THR  63          1HG2      THR  63 -13.920  -8.754  -1.057
  554   2HG2  THR  63          2HG2      THR  63 -12.500  -8.631  -0.020
  555   3HG2  THR  63          3HG2      THR  63 -13.262  -7.170  -0.650
  556    H    LYS  64           H        LYS  64 -11.353  -7.580  -4.295
  557    HA   LYS  64           HA       LYS  64  -8.681  -8.348  -5.180
  558   1HB   LYS  64          2HB       LYS  64 -11.000  -7.808  -7.014
  559   2HB   LYS  64          3HB       LYS  64  -9.686  -8.968  -7.198
  560   1HG   LYS  64          2HG       LYS  64 -10.611 -10.301  -5.326
  561   2HG   LYS  64          3HG       LYS  64 -11.933  -9.145  -5.164
  562   1HD   LYS  64          2HD       LYS  64 -12.666  -9.637  -7.463
  563   2HD   LYS  64          3HD       LYS  64 -11.330 -10.775  -7.651
  564   1HE   LYS  64          2HE       LYS  64 -12.253 -12.047  -5.665
  565   2HE   LYS  64          3HE       LYS  64 -13.673 -11.001  -5.741
  566   1HZ   LYS  64          1HZ       LYS  64 -12.818 -13.115  -7.553
  567   2HZ   LYS  64          2HZ       LYS  64 -13.531 -11.748  -8.265
  568   3HZ   LYS  64          3HZ       LYS  64 -14.383 -12.643  -7.098
  569    H    GLY  65           H        GLY  65  -8.436  -5.808  -4.162
  570   1HA   GLY  65          1HA       GLY  65  -7.817  -4.291  -6.544
  571   2HA   GLY  65          2HA       GLY  65  -9.032  -3.594  -5.490
  572    H    ALA  66           H        ALA  66  -8.246  -2.069  -4.393
  573    HA   ALA  66           HA       ALA  66  -5.511  -1.623  -3.816
  574   1HB   ALA  66          1HB       ALA  66  -7.042   0.224  -4.094
  575   2HB   ALA  66          2HB       ALA  66  -8.025  -0.338  -2.741
  576   3HB   ALA  66          3HB       ALA  66  -6.393   0.270  -2.456
  577    H    VAL  67           H        VAL  67  -5.077  -0.810  -1.425
  578    HA   VAL  67           HA       VAL  67  -5.990  -2.737   0.581
  579    HB   VAL  67           HB       VAL  67  -3.787  -3.477   1.166
  580   1HG1  VAL  67          1HG1      VAL  67  -4.820  -4.640  -0.763
  581   2HG1  VAL  67          2HG1      VAL  67  -4.028  -3.507  -1.860
  582   3HG1  VAL  67          3HG1      VAL  67  -3.062  -4.616  -0.889
  583   1HG2  VAL  67          1HG2      VAL  67  -2.942  -1.249  -0.666
  584   2HG2  VAL  67          2HG2      VAL  67  -2.341  -1.661   0.941
  585   3HG2  VAL  67          3HG2      VAL  67  -1.872  -2.636  -0.457
  586    H    ARG  68           H        ARG  68  -5.541  -2.036   2.747
  587    HA   ARG  68           HA       ARG  68  -5.362   0.868   2.963
  588   1HB   ARG  68          2HB       ARG  68  -7.100  -0.409   4.202
  589   2HB   ARG  68          3HB       ARG  68  -5.823  -1.206   5.122
  590   1HG   ARG  68          2HG       ARG  68  -5.109   0.874   6.095
  591   2HG   ARG  68          3HG       ARG  68  -6.130   1.806   5.001
  592   1HD   ARG  68          2HD       ARG  68  -7.408  -0.246   6.768
  593   2HD   ARG  68          3HD       ARG  68  -6.925   1.294   7.472
  594    HE   ARG  68           HE       ARG  68  -8.399   1.680   5.053
  595   1HH1  ARG  68          1HH1      ARG  68  -8.467   1.717   8.465
  596   2HH1  ARG  68          2HH1      ARG  68 -10.180   1.942   8.588
  597   1HH2  ARG  68          1HH2      ARG  68 -10.728   1.607   5.176
  598   2HH2  ARG  68          2HH2      ARG  68 -11.460   1.878   6.722
  599    H    ALA  69           H        ALA  69  -3.967   1.914   4.499
  600    HA   ALA  69           HA       ALA  69  -1.646   0.463   5.495
  601   1HB   ALA  69          1HB       ALA  69  -0.114   2.208   4.418
  602   2HB   ALA  69          2HB       ALA  69  -0.769   0.970   3.346
  603   3HB   ALA  69          3HB       ALA  69  -1.472   2.587   3.357
  604    H    ARG  70           H        ARG  70  -0.229   1.955   6.810
  605    HA   ARG  70           HA       ARG  70  -1.534   4.397   7.755
  606   1HB   ARG  70          2HB       ARG  70  -2.361   2.300   9.062
  607   2HB   ARG  70          3HB       ARG  70  -0.763   2.337   9.806
  608   1HG   ARG  70          2HG       ARG  70  -1.372   4.924  10.106
  609   2HG   ARG  70          3HG       ARG  70  -3.015   4.286  10.046
  610   1HD   ARG  70          2HD       ARG  70  -2.231   2.567  11.789
  611   2HD   ARG  70          3HD       ARG  70  -0.818   3.594  11.996
  612    HE   ARG  70           HE       ARG  70  -3.261   5.084  12.199
  613   1HH1  ARG  70          1HH2      ARG  70  -2.175   2.414  13.942
  614   2HH1  ARG  70          2HH2      ARG  70  -2.134   3.207  15.482
  615   1HH2  ARG  70          1HH1      ARG  70  -2.750   6.358  14.171
  616   2HH2  ARG  70          2HH1      ARG  70  -2.459   5.440  15.610
  617    H    PHE  71           H        PHE  71   0.030   5.867   7.759
  618    HA   PHE  71           HA       PHE  71   2.812   5.038   8.280
  619   1HB   PHE  71          2HB       PHE  71   1.623   7.514   7.011
  620   2HB   PHE  71          3HB       PHE  71   3.337   7.349   7.394
  621    HD1  PHE  71           HD1      PHE  71   4.781   6.334   5.847
  622    HD2  PHE  71           HD2      PHE  71   0.556   5.584   5.593
  623    HE1  PHE  71           HE1      PHE  71   5.129   5.081   3.738
  624    HE2  PHE  71           HE2      PHE  71   0.906   4.329   3.485
  625    HZ   PHE  71           HZ       PHE  71   3.193   4.078   2.556
  626    H    GLU  72           H        GLU  72   3.545   5.299  10.284
  627    HA   GLU  72           HA       GLU  72   2.158   6.976  12.187
  628   1HB   GLU  72          2HB       GLU  72   4.561   5.158  12.330
  629   2HB   GLU  72          3HB       GLU  72   4.105   6.190  13.687
  630   1HG   GLU  72          2HG       GLU  72   2.246   4.201  12.346
  631   2HG   GLU  72          3HG       GLU  72   3.128   3.891  13.838
  632    H    LYS  73           H        LYS  73   4.819   7.325  10.035
  633    HA   LYS  73           HA       LYS  73   6.129   9.444  11.497
  634   1HB   LYS  73          2HB       LYS  73   6.477   8.561   8.623
  635   2HB   LYS  73          3HB       LYS  73   7.571   9.585   9.542
  636   1HG   LYS  73          2HG       LYS  73   8.303   7.826  10.896
  637   2HG   LYS  73          3HG       LYS  73   6.859   6.859  10.588
  638   1HD   LYS  73          2HD       LYS  73   7.627   6.108   8.536
  639   2HD   LYS  73          3HD       LYS  73   8.618   7.542   8.263
  640   1HE   LYS  73          2HE       LYS  73  10.198   6.779  10.003
  641   2HE   LYS  73          3HE       LYS  73   9.212   5.341  10.266
  642   1HZ   LYS  73          1HZ       LYS  73  10.747   6.093   7.851
  643   2HZ   LYS  73          2HZ       LYS  73   9.524   4.913   7.808
  644   3HZ   LYS  73          3HZ       LYS  73  10.891   4.687   8.792
  645    H    GLY  74           H        GLY  74   5.042   9.525   8.134
  646   1HA   GLY  74          1HA       GLY  74   3.009  11.115   7.817
  647   2HA   GLY  74          2HA       GLY  74   4.117  12.291   8.522
  648    H    LEU  75           H        LEU  75   3.175  12.828   6.042
  649    HA   LEU  75           HA       LEU  75   5.196  11.938   4.102
  650   1HB   LEU  75          2HB       LEU  75   3.068  13.835   3.269
  651   2HB   LEU  75          3HB       LEU  75   3.689  12.407   2.447
  652    HG   LEU  75           HG       LEU  75   1.900  12.307   4.894
  653   1HD1  LEU  75          1HD1      LEU  75   1.260  11.997   1.946
  654   2HD1  LEU  75          2HD1      LEU  75   0.153  11.586   3.256
  655   3HD1  LEU  75          3HD1      LEU  75   0.664  13.256   3.025
  656   1HD2  LEU  75          1HD2      LEU  75   3.528  10.370   4.261
  657   2HD2  LEU  75          2HD2      LEU  75   1.836   9.972   4.557
  658   3HD2  LEU  75          3HD2      LEU  75   2.434  10.102   2.905
  659    HA   PRO  76           HA       PRO  76   7.269  15.834   4.007
  660   1HB   PRO  76          2HB       PRO  76   7.227  16.223   1.147
  661   2HB   PRO  76          3HB       PRO  76   8.533  15.556   2.138
  662   1HG   PRO  76          2HG       PRO  76   7.044  14.141   0.303
  663   2HG   PRO  76          3HG       PRO  76   7.982  13.430   1.625
  664   1HD   PRO  76          2HD       PRO  76   5.031  13.885   1.436
  665   2HD   PRO  76          3HD       PRO  76   5.929  12.586   2.258
  666    H    GLY  77           H        GLY  77   4.175  15.805   3.759
  667   1HA   GLY  77          1HA       GLY  77   2.770  17.683   4.143
  668   2HA   GLY  77          2HA       GLY  77   3.895  18.684   3.229
  669    H    GLN  78           H        GLN  78   3.626  18.921   1.051
  670    HA   GLN  78           HA       GLN  78   1.164  17.833  -0.097
  671   1HB   GLN  78          2HB       GLN  78   1.880  20.290  -0.258
  672   2HB   GLN  78          3HB       GLN  78   3.080  19.752  -1.429
  673   1HG   GLN  78          2HG       GLN  78   0.112  19.177  -1.672
  674   2HG   GLN  78          3HG       GLN  78   0.910  20.540  -2.451
  675   1HE2  GLN  78          2HE2      GLN  78   3.241  19.497  -3.453
  676   2HE2  GLN  78          1HE2      GLN  78   2.926  18.214  -4.520
  677    H    ALA  79           H        ALA  79   1.387  15.825  -0.886
  678    HA   ALA  79           HA       ALA  79   3.143  15.350  -3.116
  679   1HB   ALA  79          1HB       ALA  79   4.488  13.600  -2.178
  680   2HB   ALA  79          2HB       ALA  79   4.637  14.986  -1.098
  681   3HB   ALA  79          3HB       ALA  79   3.589  13.637  -0.662
  682    H    LEU  80           H        LEU  80   0.288  15.265  -2.194
  683    HA   LEU  80           HA       LEU  80  -0.575  12.544  -2.164
  684   1HB   LEU  80          2HB       LEU  80  -1.810  14.655  -1.331
  685   2HB   LEU  80          3HB       LEU  80  -2.269  14.888  -3.017
  686    HG   LEU  80           HG       LEU  80  -2.939  12.304  -2.802
  687   1HD1  LEU  80          1HD1      LEU  80  -3.829  11.791  -0.592
  688   2HD1  LEU  80          2HD1      LEU  80  -2.121  12.202  -0.439
  689   3HD1  LEU  80          3HD1      LEU  80  -3.356  13.382   0.003
  690   1HD2  LEU  80          1HD2      LEU  80  -4.457  14.794  -2.044
  691   2HD2  LEU  80          2HD2      LEU  80  -4.627  13.783  -3.481
  692   3HD2  LEU  80          3HD2      LEU  80  -5.244  13.219  -1.929
  693    H    GLY  81           H        GLY  81   0.242  11.420  -3.913
  694   1HA   GLY  81          1HA       GLY  81  -0.966  10.811  -6.119
  695   2HA   GLY  81          2HA       GLY  81  -0.400  12.396  -6.621
  696    H    ASP  82           H        ASP  82   1.962  11.287  -4.584
  697    HA   ASP  82           HA       ASP  82   3.771  10.746  -6.733
  698   1HB   ASP  82          2HB       ASP  82   4.259  11.726  -4.366
  699   2HB   ASP  82          3HB       ASP  82   4.304  10.042  -3.856
  700    H    TYR  83           H        TYR  83   4.454   8.814  -7.521
  701    HA   TYR  83           HA       TYR  83   2.852   6.499  -7.072
  702   1HB   TYR  83          2HB       TYR  83   5.143   7.260  -8.774
  703   2HB   TYR  83          3HB       TYR  83   5.092   5.554  -8.338
  704    HD1  TYR  83           HD1      TYR  83   2.404   8.078  -9.047
  705    HD2  TYR  83           HD2      TYR  83   4.202   4.327 -10.116
  706    HE1  TYR  83           HE1      TYR  83   0.636   7.711 -10.744
  707    HE2  TYR  83           HE2      TYR  83   2.430   3.958 -11.809
  708    HH   TYR  83           HH       TYR  83   0.854   5.321 -13.140
  709    H    VAL  84           H        VAL  84   3.096   4.902  -5.614
  710    HA   VAL  84           HA       VAL  84   5.397   5.034  -3.807
  711    HB   VAL  84           HB       VAL  84   4.163   3.637  -2.333
  712   1HG1  VAL  84          1HG1      VAL  84   1.996   5.260  -3.683
  713   2HG1  VAL  84          2HG1      VAL  84   2.175   4.891  -1.967
  714   3HG1  VAL  84          3HG1      VAL  84   3.286   6.014  -2.745
  715   1HG2  VAL  84          1HG2      VAL  84   2.844   2.786  -4.849
  716   2HG2  VAL  84          2HG2      VAL  84   3.230   1.849  -3.408
  717   3HG2  VAL  84          3HG2      VAL  84   1.791   2.869  -3.437
  718    H    GLU  85           H        GLU  85   6.483   2.962  -3.236
  719    HA   GLU  85           HA       GLU  85   6.389   0.906  -5.311
  720   1HB   GLU  85          2HB       GLU  85   8.990   2.303  -4.640
  721   2HB   GLU  85          3HB       GLU  85   8.730   1.056  -5.858
  722   1HG   GLU  85          2HG       GLU  85   7.120   2.643  -7.000
  723   2HG   GLU  85          3HG       GLU  85   7.668   3.891  -5.880
  724    H    ILE  86           H        ILE  86   7.706  -0.961  -4.754
  725    HA   ILE  86           HA       ILE  86   7.931  -1.247  -1.816
  726    HB   ILE  86           HB       ILE  86   7.947  -3.659  -3.566
  727   1HG1  ILE  86          2HG1      ILE  86   6.193  -2.261  -4.632
  728   2HG1  ILE  86          3HG1      ILE  86   5.500  -3.656  -3.812
  729   1HG2  ILE  86          1HG2      ILE  86   6.462  -2.963  -1.015
  730   2HG2  ILE  86          2HG2      ILE  86   6.620  -4.569  -1.726
  731   3HG2  ILE  86          3HG2      ILE  86   8.041  -3.747  -1.081
  732   1HD1  ILE  86          1HD1      ILE  86   4.414  -1.299  -3.454
  733   2HD1  ILE  86          2HD1      ILE  86   4.627  -2.366  -2.068
  734   3HD1  ILE  86          3HD1      ILE  86   5.757  -1.043  -2.342
  735    H    VAL  87           H        VAL  87  10.032  -0.054  -2.183
  736    HA   VAL  87           HA       VAL  87  12.088  -1.863  -3.305
  737    HB   VAL  87           HB       VAL  87  12.910   0.865  -2.553
  738   1HG1  VAL  87          1HG1      VAL  87  13.097  -0.758  -5.114
  739   2HG1  VAL  87          2HG1      VAL  87  14.008   0.704  -4.739
  740   3HG1  VAL  87          3HG1      VAL  87  14.297  -0.774  -3.821
  741   1HG2  VAL  87          1HG2      VAL  87  11.825   1.686  -4.769
  742   2HG2  VAL  87          2HG2      VAL  87  10.722   0.325  -4.567
  743   3HG2  VAL  87          3HG2      VAL  87  10.798   1.588  -3.342
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  12.882  -8.117  -8.459
    2   2H    MET   1          2HT       MET   1  13.270  -6.680  -7.641
    3   3H    MET   1          3HT       MET   1  11.907  -6.742  -8.654
    4    HA   MET   1           HA       MET   1  10.938  -8.448  -7.158
    5   1HB   MET   1          2HB       MET   1  13.204  -7.563  -5.346
    6   2HB   MET   1          3HB       MET   1  11.931  -8.715  -4.948
    7   1HG   MET   1          2HG       MET   1  12.766 -10.332  -6.471
    8   2HG   MET   1          3HG       MET   1  13.788  -9.151  -7.290
    9   1HE   MET   1          1HE       MET   1  15.582 -12.074  -4.921
   10   2HE   MET   1          2HE       MET   1  15.133 -11.764  -6.595
   11   3HE   MET   1          3HE       MET   1  13.878 -12.074  -5.397
   12    H    ARG   2           H        ARG   2  11.328  -5.424  -7.895
   13    HA   ARG   2           HA       ARG   2   9.990  -4.275  -5.532
   14   1HB   ARG   2          2HB       ARG   2  10.573  -2.077  -6.524
   15   2HB   ARG   2          3HB       ARG   2  11.993  -3.070  -6.200
   16   1HG   ARG   2          2HG       ARG   2  12.138  -3.724  -8.542
   17   2HG   ARG   2          3HG       ARG   2  10.626  -2.889  -8.905
   18   1HD   ARG   2          2HD       ARG   2  11.714  -0.749  -8.130
   19   2HD   ARG   2          3HD       ARG   2  13.233  -1.632  -8.005
   20    HE   ARG   2           HE       ARG   2  11.898  -1.777 -10.597
   21   1HH1  ARG   2          1HH1      ARG   2  13.751   0.386  -8.695
   22   2HH1  ARG   2          2HH1      ARG   2  14.877   0.774  -9.953
   23   1HH2  ARG   2          1HH2      ARG   2  13.572  -1.522 -12.197
   24   2HH2  ARG   2          2HH2      ARG   2  14.775  -0.304 -11.930
   25    H    ILE   3           H        ILE   3   8.378  -2.517  -6.099
   26    HA   ILE   3           HA       ILE   3   6.827  -3.066  -8.528
   27    HB   ILE   3           HB       ILE   3   5.263  -2.898  -5.989
   28   1HG1  ILE   3          2HG1      ILE   3   6.786  -5.359  -6.909
   29   2HG1  ILE   3          3HG1      ILE   3   6.928  -4.549  -5.351
   30   1HG2  ILE   3          1HG2      ILE   3   3.619  -3.909  -7.260
   31   2HG2  ILE   3          2HG2      ILE   3   4.537  -3.145  -8.557
   32   3HG2  ILE   3          3HG2      ILE   3   4.776  -4.853  -8.198
   33   1HD1  ILE   3          1HD1      ILE   3   4.776  -6.354  -6.365
   34   2HD1  ILE   3          2HD1      ILE   3   5.489  -6.251  -4.756
   35   3HD1  ILE   3          3HD1      ILE   3   4.304  -5.053  -5.272
   36    H    LYS   4           H        LYS   4   4.772  -1.483  -8.387
   37    HA   LYS   4           HA       LYS   4   5.542   1.082  -7.188
   38   1HB   LYS   4          2HB       LYS   4   4.949   2.181  -9.444
   39   2HB   LYS   4          3HB       LYS   4   6.527   1.413  -9.305
   40   1HG   LYS   4          2HG       LYS   4   4.273  -0.305 -10.239
   41   2HG   LYS   4          3HG       LYS   4   4.858   0.920 -11.363
   42   1HD   LYS   4          2HD       LYS   4   6.856  -0.810  -9.940
   43   2HD   LYS   4          3HD       LYS   4   5.972  -1.480 -11.309
   44   1HE   LYS   4          2HE       LYS   4   6.664   0.746 -12.510
   45   2HE   LYS   4          3HE       LYS   4   7.899   0.829 -11.251
   46   1HZ   LYS   4          1HZ       LYS   4   7.510  -1.248 -13.314
   47   2HZ   LYS   4          2HZ       LYS   4   8.402  -1.567 -11.903
   48   3HZ   LYS   4          3HZ       LYS   4   8.903  -0.344 -12.972
   49    H    GLY   5           H        GLY   5   3.835   1.320  -5.913
   50   1HA   GLY   5          1HA       GLY   5   1.149   0.696  -6.860
   51   2HA   GLY   5          2HA       GLY   5   1.598   1.146  -5.222
   52    H    VAL   6           H        VAL   6  -0.522   2.391  -5.884
   53    HA   VAL   6           HA       VAL   6   0.320   5.148  -6.399
   54    HB   VAL   6           HB       VAL   6  -2.130   4.072  -7.798
   55   1HG1  VAL   6          1HG1      VAL   6  -0.350   6.415  -8.501
   56   2HG1  VAL   6          2HG1      VAL   6  -2.001   6.104  -9.038
   57   3HG1  VAL   6          3HG1      VAL   6  -1.690   6.565  -7.365
   58   1HG2  VAL   6          1HG2      VAL   6   0.727   4.179  -8.814
   59   2HG2  VAL   6          2HG2      VAL   6  -0.331   2.768  -8.742
   60   3HG2  VAL   6          3HG2      VAL   6  -0.675   4.072  -9.878
   61    H    VAL   7           H        VAL   7  -0.753   6.592  -5.181
   62    HA   VAL   7           HA       VAL   7  -2.428   5.648  -3.050
   63    HB   VAL   7           HB       VAL   7  -1.588   8.430  -3.903
   64   1HG1  VAL   7          1HG1      VAL   7  -2.291   8.897  -1.437
   65   2HG1  VAL   7          2HG1      VAL   7  -3.550   8.823  -2.668
   66   3HG1  VAL   7          3HG1      VAL   7  -3.273   7.444  -1.605
   67   1HG2  VAL   7          1HG2      VAL   7  -0.149   8.213  -1.853
   68   2HG2  VAL   7          2HG2      VAL   7  -0.657   6.530  -1.727
   69   3HG2  VAL   7          3HG2      VAL   7   0.270   7.069  -3.127
   70    H    LEU   8           H        LEU   8  -4.601   5.901  -2.756
   71    HA   LEU   8           HA       LEU   8  -6.139   6.837  -5.097
   72   1HB   LEU   8          2HB       LEU   8  -7.058   5.037  -2.845
   73   2HB   LEU   8          3HB       LEU   8  -7.946   5.420  -4.320
   74    HG   LEU   8           HG       LEU   8  -5.332   3.888  -4.128
   75   1HD1  LEU   8          1HD1      LEU   8  -6.806   2.132  -5.250
   76   2HD1  LEU   8          2HD1      LEU   8  -7.178   2.477  -3.562
   77   3HD1  LEU   8          3HD1      LEU   8  -8.182   3.157  -4.843
   78   1HD2  LEU   8          1HD2      LEU   8  -5.869   3.583  -6.664
   79   2HD2  LEU   8          2HD2      LEU   8  -6.855   5.032  -6.472
   80   3HD2  LEU   8          3HD2      LEU   8  -5.121   5.093  -6.148
   81    H    SER   9           H        SER   9  -6.079   6.901  -1.531
   82    HA   SER   9           HA       SER   9  -7.054   9.614  -1.500
   83   1HB   SER   9          2HB       SER   9  -9.063   8.933  -0.028
   84   2HB   SER   9          3HB       SER   9  -9.214   8.731  -1.770
   85    HG   SER   9           HG       SER   9  -8.196   6.650  -0.171
   86    H    TYR  10           H        TYR  10  -6.131  10.596   0.155
   87    HA   TYR  10           HA       TYR  10  -5.074   8.982   2.380
   88   1HB   TYR  10          2HB       TYR  10  -3.336  10.253   1.392
   89   2HB   TYR  10          3HB       TYR  10  -4.353  11.685   1.249
   90    HD1  TYR  10           HD1      TYR  10  -3.211   9.324   3.946
   91    HD2  TYR  10           HD2      TYR  10  -3.970  13.390   2.783
   92    HE1  TYR  10           HE1      TYR  10  -2.432  10.105   6.167
   93    HE2  TYR  10           HE2      TYR  10  -3.192  14.169   5.006
   94    HH   TYR  10           HH       TYR  10  -3.106  12.864   7.477
   95    H    ARG  11           H        ARG  11  -6.789   8.783   3.786
   96    HA   ARG  11           HA       ARG  11  -8.345  11.143   4.524
   97   1HB   ARG  11          2HB       ARG  11  -9.278   8.751   4.200
   98   2HB   ARG  11          3HB       ARG  11  -8.594   8.424   5.793
   99   1HG   ARG  11          2HG       ARG  11  -9.854  10.435   6.659
  100   2HG   ARG  11          3HG       ARG  11 -10.653  10.534   5.090
  101   1HD   ARG  11          2HD       ARG  11 -10.733   8.169   6.984
  102   2HD   ARG  11          3HD       ARG  11 -12.053   9.294   6.678
  103    HE   ARG  11           HE       ARG  11 -11.112   8.050   4.265
  104   1HH1  ARG  11          1HH2      ARG  11 -12.224   6.552   7.035
  105   2HH1  ARG  11          2HH2      ARG  11 -13.654   5.874   6.331
  106   1HH2  ARG  11          1HH1      ARG  11 -13.336   7.617   3.352
  107   2HH2  ARG  11          2HH1      ARG  11 -14.281   6.475   4.248
  108    H    ARG  12           H        ARG  12  -8.303  12.125   6.514
  109    HA   ARG  12           HA       ARG  12  -5.972  11.481   8.204
  110   1HB   ARG  12          2HB       ARG  12  -6.391  13.826   9.106
  111   2HB   ARG  12          3HB       ARG  12  -5.847  13.726   7.433
  112   1HG   ARG  12          2HG       ARG  12  -8.119  14.010   6.614
  113   2HG   ARG  12          3HG       ARG  12  -8.759  13.944   8.255
  114   1HD   ARG  12          2HD       ARG  12  -6.947  16.079   7.102
  115   2HD   ARG  12          3HD       ARG  12  -8.635  16.270   7.567
  116    HE   ARG  12           HE       ARG  12  -6.337  16.127   9.368
  117   1HH1  ARG  12          1HH2      ARG  12  -8.857  18.011   9.286
  118   2HH1  ARG  12          2HH2      ARG  12  -9.611  17.554  10.776
  119   1HH2  ARG  12          1HH1      ARG  12  -7.721  14.678  11.159
  120   2HH2  ARG  12          2HH1      ARG  12  -8.972  15.667  11.833
  121    H    SER  13           H        SER  13  -7.680   9.672   8.828
  122    HA   SER  13           HA       SER  13  -9.299   8.865  10.296
  123   1HB   SER  13          2HB       SER  13  -7.168   9.002  11.597
  124   2HB   SER  13          3HB       SER  13  -7.663  10.587  12.176
  125    HG   SER  13           HG       SER  13  -8.186   8.529  13.432
  126    H    LYS  14           H        LYS  14 -10.723  10.560   9.015
  127    HA   LYS  14           HA       LYS  14 -11.641  12.948   9.872
  128   1HB   LYS  14          2HB       LYS  14 -13.099  10.571   8.769
  129   2HB   LYS  14          3HB       LYS  14 -14.015  11.992   9.275
  130   1HG   LYS  14          2HG       LYS  14 -11.607  12.380   7.532
  131   2HG   LYS  14          3HG       LYS  14 -13.103  11.804   6.799
  132   1HD   LYS  14          2HD       LYS  14 -14.312  13.740   7.501
  133   2HD   LYS  14          3HD       LYS  14 -13.022  14.239   8.595
  134   1HE   LYS  14          2HE       LYS  14 -11.582  14.831   6.789
  135   2HE   LYS  14          3HE       LYS  14 -12.598  14.001   5.610
  136   1HZ   LYS  14          1HZ       LYS  14 -14.151  15.657   5.640
  137   2HZ   LYS  14          2HZ       LYS  14 -12.746  16.571   5.917
  138   3HZ   LYS  14          3HZ       LYS  14 -13.768  16.162   7.213
  139    H    GLU  15           H        GLU  15 -13.630  10.179  10.830
  140    HA   GLU  15           HA       GLU  15 -14.626  11.486  13.147
  141   1HB   GLU  15          2HB       GLU  15 -14.711   8.628  12.174
  142   2HB   GLU  15          3HB       GLU  15 -15.444   9.115  13.702
  143   1HG   GLU  15          2HG       GLU  15 -16.953  10.612  12.619
  144   2HG   GLU  15          3HG       GLU  15 -16.062  10.528  11.101
  145    H    ASN  16           H        ASN  16 -13.247   8.278  13.457
  146    HA   ASN  16           HA       ASN  16 -10.934   9.099  14.940
  147   1HB   ASN  16          2HB       ASN  16 -12.529   9.556  16.695
  148   2HB   ASN  16          3HB       ASN  16 -13.321   8.003  16.441
  149   1HD2  ASN  16          2HD2      ASN  16  -9.778   8.406  16.408
  150   2HD2  ASN  16          1HD2      ASN  16  -9.503   7.517  17.829
  151    H    GLN  17           H        GLN  17  -9.668   7.680  13.860
  152    HA   GLN  17           HA       GLN  17 -10.376   4.815  14.087
  153   1HB   GLN  17          2HB       GLN  17 -10.507   5.803  11.733
  154   2HB   GLN  17          3HB       GLN  17  -8.755   5.978  11.821
  155   1HG   GLN  17          2HG       GLN  17  -9.080   3.863  10.798
  156   2HG   GLN  17          3HG       GLN  17  -8.714   3.487  12.480
  157   1HE2  GLN  17          2HE2      GLN  17 -10.567   2.896  13.900
  158   2HE2  GLN  17          1HE2      GLN  17 -11.997   2.296  13.209
  159    H    HIS  18           H        HIS  18  -7.805   7.246  13.963
  160    HA   HIS  18           HA       HIS  18  -6.207   5.866  15.883
  161   1HB   HIS  18          2HB       HIS  18  -5.883   4.740  13.449
  162   2HB   HIS  18          3HB       HIS  18  -4.744   6.074  13.299
  163    HD1  HIS  18           HD1      HIS  18  -2.526   4.958  13.663
  164    HD2  HIS  18           HD2      HIS  18  -5.311   3.869  16.565
  165    HE1  HIS  18           HE1      HIS  18  -1.274   3.574  15.373
  166    H    ASN  19           H        ASN  19  -5.820   7.912  13.016
  167    HA   ASN  19           HA       ASN  19  -5.809  10.373  14.129
  168   1HB   ASN  19          2HB       ASN  19  -3.182  10.732  14.185
  169   2HB   ASN  19          3HB       ASN  19  -4.045  10.170  15.610
  170   1HD2  ASN  19          2HD2      ASN  19  -2.855   8.486  12.631
  171   2HD2  ASN  19          1HD2      ASN  19  -2.031   7.273  13.483
  172    H    ASN  20           H        ASN  20  -4.209   8.215  11.890
  173    HA   ASN  20           HA       ASN  20  -4.721  10.023   9.685
  174   1HB   ASN  20          2HB       ASN  20  -1.917   9.427  10.628
  175   2HB   ASN  20          3HB       ASN  20  -2.261   9.873   8.957
  176   1HD2  ASN  20          2HD2      ASN  20  -1.934  11.096  12.208
  177   2HD2  ASN  20          1HD2      ASN  20  -2.251  12.721  11.840
  178    H    VAL  21           H        VAL  21  -5.568   8.691   8.214
  179    HA   VAL  21           HA       VAL  21  -4.532   5.927   7.996
  180    HB   VAL  21           HB       VAL  21  -7.164   7.111   7.063
  181   1HG1  VAL  21          1HG1      VAL  21  -6.696   5.362   5.548
  182   2HG1  VAL  21          2HG1      VAL  21  -5.902   4.386   6.782
  183   3HG1  VAL  21          3HG1      VAL  21  -7.654   4.570   6.797
  184   1HG2  VAL  21          1HG2      VAL  21  -6.871   6.794   9.551
  185   2HG2  VAL  21          2HG2      VAL  21  -8.155   5.808   8.853
  186   3HG2  VAL  21          3HG2      VAL  21  -6.600   5.078   9.245
  187    H    MET  22           H        MET  22  -4.193   5.041   5.870
  188    HA   MET  22           HA       MET  22  -4.066   6.953   3.646
  189   1HB   MET  22          2HB       MET  22  -1.851   6.961   4.888
  190   2HB   MET  22          3HB       MET  22  -1.664   5.280   4.390
  191   1HG   MET  22          2HG       MET  22  -1.730   5.887   2.051
  192   2HG   MET  22          3HG       MET  22  -2.163   7.553   2.445
  193   1HE   MET  22          1HE       MET  22  -0.728   9.339   2.807
  194   2HE   MET  22          2HE       MET  22   0.897   9.315   3.486
  195   3HE   MET  22          3HE       MET  22  -0.470   8.803   4.474
  196    H    ILE  23           H        ILE  23  -5.135   5.988   2.047
  197    HA   ILE  23           HA       ILE  23  -5.164   3.056   1.881
  198    HB   ILE  23           HB       ILE  23  -6.772   5.034   0.247
  199   1HG1  ILE  23          2HG1      ILE  23  -7.300   3.758   2.947
  200   2HG1  ILE  23          3HG1      ILE  23  -7.358   5.470   2.530
  201   1HG2  ILE  23          1HG2      ILE  23  -7.579   2.227   0.954
  202   2HG2  ILE  23          2HG2      ILE  23  -8.016   3.191  -0.456
  203   3HG2  ILE  23          3HG2      ILE  23  -6.409   2.478  -0.342
  204   1HD1  ILE  23          1HD1      ILE  23  -9.354   3.311   1.966
  205   2HD1  ILE  23          2HD1      ILE  23  -9.619   4.969   2.506
  206   3HD1  ILE  23          3HD1      ILE  23  -9.217   4.643   0.819
  207    H    ILE  24           H        ILE  24  -4.052   1.963   0.387
  208    HA   ILE  24           HA       ILE  24  -3.044   3.401  -1.989
  209    HB   ILE  24           HB       ILE  24  -1.464   1.638  -0.100
  210   1HG1  ILE  24          2HG1      ILE  24  -0.900   4.422  -1.169
  211   2HG1  ILE  24          3HG1      ILE  24  -1.707   4.119   0.369
  212   1HG2  ILE  24          1HG2      ILE  24  -0.793   0.889  -2.252
  213   2HG2  ILE  24          2HG2      ILE  24  -0.899   2.510  -2.940
  214   3HG2  ILE  24          3HG2      ILE  24   0.401   2.112  -1.820
  215   1HD1  ILE  24          1HD1      ILE  24   0.833   4.489   0.462
  216   2HD1  ILE  24          2HD1      ILE  24   0.215   3.059   1.291
  217   3HD1  ILE  24          3HD1      ILE  24   0.982   2.903  -0.290
  218    H    LYS  25           H        LYS  25  -2.360   1.928  -3.730
  219    HA   LYS  25           HA       LYS  25  -3.527  -0.766  -3.626
  220   1HB   LYS  25          2HB       LYS  25  -5.322   0.594  -4.533
  221   2HB   LYS  25          3HB       LYS  25  -4.225   1.327  -5.703
  222   1HG   LYS  25          2HG       LYS  25  -3.877  -0.832  -6.788
  223   2HG   LYS  25          3HG       LYS  25  -4.861  -1.637  -5.564
  224   1HD   LYS  25          2HD       LYS  25  -6.784  -0.146  -6.264
  225   2HD   LYS  25          3HD       LYS  25  -5.781   0.399  -7.610
  226   1HE   LYS  25          2HE       LYS  25  -6.129  -2.547  -7.183
  227   2HE   LYS  25          3HE       LYS  25  -7.453  -1.637  -7.911
  228   1HZ   LYS  25          1HZ       LYS  25  -5.252  -0.721  -9.215
  229   2HZ   LYS  25          2HZ       LYS  25  -6.345  -1.878  -9.807
  230   3HZ   LYS  25          3HZ       LYS  25  -4.919  -2.375  -9.029
  231    HA   PRO  26           HA       PRO  26   0.590  -1.050  -5.480
  232   1HB   PRO  26          2HB       PRO  26   0.323  -3.914  -5.452
  233   2HB   PRO  26          3HB       PRO  26   1.338  -2.896  -4.424
  234   1HG   PRO  26          2HG       PRO  26  -1.010  -4.300  -3.710
  235   2HG   PRO  26          3HG       PRO  26  -0.031  -3.228  -2.704
  236   1HD   PRO  26          2HD       PRO  26  -2.654  -2.737  -3.814
  237   2HD   PRO  26          3HD       PRO  26  -1.708  -1.708  -2.724
  238    H    LEU  27           H        LEU  27  -0.184  -0.238  -7.499
  239    HA   LEU  27           HA       LEU  27  -0.999  -0.305  -9.653
  240   1HB   LEU  27          2HB       LEU  27   1.452  -1.312  -9.379
  241   2HB   LEU  27          3HB       LEU  27   0.662  -2.734 -10.035
  242    HG   LEU  27           HG       LEU  27  -0.321  -1.068 -11.802
  243   1HD1  LEU  27          1HD1      LEU  27   0.814   0.958 -12.125
  244   2HD1  LEU  27          2HD1      LEU  27   0.718   0.863 -10.368
  245   3HD1  LEU  27          3HD1      LEU  27   2.215   0.434 -11.193
  246   1HD2  LEU  27          1HD2      LEU  27   1.222  -2.806 -12.451
  247   2HD2  LEU  27          2HD2      LEU  27   1.804  -1.300 -13.163
  248   3HD2  LEU  27          3HD2      LEU  27   2.577  -1.949 -11.717
  249    H    ASP  28           H        ASP  28  -0.745  -3.175 -10.980
  250    HA   ASP  28           HA       ASP  28  -3.386  -3.730 -11.374
  251   1HB   ASP  28          2HB       ASP  28  -2.645  -6.179 -11.641
  252   2HB   ASP  28          3HB       ASP  28  -1.926  -4.968 -12.704
  253    H    VAL  29           H        VAL  29  -1.863  -6.314  -9.559
  254    HA   VAL  29           HA       VAL  29  -2.850  -7.634  -7.924
  255    HB   VAL  29           HB       VAL  29  -2.841  -4.843  -6.731
  256   1HG1  VAL  29          1HG1      VAL  29  -2.789  -6.495  -4.574
  257   2HG1  VAL  29          2HG1      VAL  29  -4.264  -5.750  -5.183
  258   3HG1  VAL  29          3HG1      VAL  29  -3.863  -7.407  -5.634
  259   1HG2  VAL  29          1HG2      VAL  29  -0.926  -6.072  -5.425
  260   2HG2  VAL  29          2HG2      VAL  29  -0.990  -7.217  -6.764
  261   3HG2  VAL  29          3HG2      VAL  29  -0.621  -5.522  -7.073
  262    H    ASN  30           H        ASN  30  -4.486  -7.059  -9.977
  263    HA   ASN  30           HA       ASN  30  -7.015  -6.029  -9.081
  264   1HB   ASN  30          2HB       ASN  30  -7.698  -6.930 -11.429
  265   2HB   ASN  30          3HB       ASN  30  -6.641  -5.533 -11.318
  266   1HD2  ASN  30          2HD2      ASN  30  -5.015  -8.440 -10.435
  267   2HD2  ASN  30          1HD2      ASN  30  -4.225  -8.696 -11.913
  268    H    SER  31           H        SER  31  -6.184  -8.132  -7.489
  269    HA   SER  31           HA       SER  31  -8.462  -9.888  -7.690
  270   1HB   SER  31          2HB       SER  31  -7.407 -11.910  -8.093
  271   2HB   SER  31          3HB       SER  31  -6.468 -10.845  -9.132
  272    HG   SER  31           HG       SER  31  -5.029 -11.991  -7.905
  273    H    ARG  32           H        ARG  32  -9.179 -10.225  -5.683
  274    HA   ARG  32           HA       ARG  32  -7.855  -9.221  -3.409
  275   1HB   ARG  32          2HB       ARG  32 -10.357  -9.808  -3.707
  276   2HB   ARG  32          3HB       ARG  32  -9.879 -11.448  -3.264
  277   1HG   ARG  32          2HG       ARG  32  -8.927 -10.651  -1.163
  278   2HG   ARG  32          3HG       ARG  32  -9.268  -8.980  -1.612
  279   1HD   ARG  32          2HD       ARG  32 -11.738  -9.849  -1.853
  280   2HD   ARG  32          3HD       ARG  32 -11.178 -11.150  -0.805
  281    HE   ARG  32           HE       ARG  32 -10.401  -8.649   0.286
  282   1HH1  ARG  32          1HH1      ARG  32 -13.455  -9.692  -0.742
  283   2HH1  ARG  32          2HH1      ARG  32 -14.229  -9.494   0.793
  284   1HH2  ARG  32          1HH2      ARG  32 -11.288  -8.789   2.485
  285   2HH2  ARG  32          2HH2      ARG  32 -13.005  -8.976   2.618
  286    H    GLU  33           H        GLU  33  -7.649 -12.233  -5.104
  287    HA   GLU  33           HA       GLU  33  -6.519 -13.848  -3.065
  288   1HB   GLU  33          2HB       GLU  33  -7.410 -14.632  -5.316
  289   2HB   GLU  33          3HB       GLU  33  -5.908 -14.037  -6.024
  290   1HG   GLU  33          2HG       GLU  33  -4.606 -15.511  -4.558
  291   2HG   GLU  33          3HG       GLU  33  -6.085 -16.080  -3.787
  292    H    GLU  34           H        GLU  34  -5.004 -11.997  -5.706
  293    HA   GLU  34           HA       GLU  34  -2.332 -12.377  -4.814
  294   1HB   GLU  34          2HB       GLU  34  -3.580 -10.282  -6.614
  295   2HB   GLU  34          3HB       GLU  34  -1.847 -10.436  -6.353
  296   1HG   GLU  34          2HG       GLU  34  -3.495 -12.801  -7.251
  297   2HG   GLU  34          3HG       GLU  34  -2.889 -11.629  -8.417
  298    H    ALA  35           H        ALA  35  -4.705  -9.780  -4.369
  299    HA   ALA  35           HA       ALA  35  -3.074  -7.967  -2.970
  300   1HB   ALA  35          1HB       ALA  35  -5.475  -7.686  -3.932
  301   2HB   ALA  35          2HB       ALA  35  -6.002  -8.306  -2.367
  302   3HB   ALA  35          3HB       ALA  35  -5.050  -6.823  -2.456
  303    H    SER  36           H        SER  36  -5.503 -10.215  -1.626
  304    HA   SER  36           HA       SER  36  -4.899  -9.920   1.068
  305   1HB   SER  36          2HB       SER  36  -6.842 -11.186   0.161
  306   2HB   SER  36          3HB       SER  36  -5.744 -12.476  -0.320
  307    HG   SER  36           HG       SER  36  -5.277 -11.816   2.227
  308    H    LYS  37           H        LYS  37  -3.090 -11.503  -1.420
  309    HA   LYS  37           HA       LYS  37  -1.569 -13.261   0.228
  310   1HB   LYS  37          2HB       LYS  37  -1.774 -12.670  -2.540
  311   2HB   LYS  37          3HB       LYS  37  -0.085 -12.457  -2.091
  312   1HG   LYS  37          2HG       LYS  37  -0.192 -14.746  -2.583
  313   2HG   LYS  37          3HG       LYS  37  -0.391 -14.726  -0.832
  314   1HD   LYS  37          2HD       LYS  37  -2.899 -14.680  -1.222
  315   2HD   LYS  37          3HD       LYS  37  -2.560 -14.993  -2.926
  316   1HE   LYS  37          2HE       LYS  37  -1.128 -16.981  -2.032
  317   2HE   LYS  37          3HE       LYS  37  -2.060 -16.771  -0.549
  318   1HZ   LYS  37          1HZ       LYS  37  -3.238 -17.148  -3.247
  319   2HZ   LYS  37          2HZ       LYS  37  -4.086 -17.056  -1.778
  320   3HZ   LYS  37          3HZ       LYS  37  -3.061 -18.376  -2.092
  321    H    LEU  38           H        LEU  38  -0.494 -10.298  -1.465
  322    HA   LEU  38           HA       LEU  38   1.797 -10.051   0.274
  323   1HB   LEU  38          2HB       LEU  38   2.600  -8.568  -1.265
  324   2HB   LEU  38          3HB       LEU  38   1.404  -9.353  -2.286
  325    HG   LEU  38           HG       LEU  38   1.052  -6.738  -0.781
  326   1HD1  LEU  38          1HD1      LEU  38   0.974  -5.714  -2.942
  327   2HD1  LEU  38          2HD1      LEU  38   2.402  -6.750  -2.924
  328   3HD1  LEU  38          3HD1      LEU  38   0.939  -7.281  -3.752
  329   1HD2  LEU  38          1HD2      LEU  38  -1.138  -7.382  -0.747
  330   2HD2  LEU  38          2HD2      LEU  38  -1.099  -6.958  -2.457
  331   3HD2  LEU  38          3HD2      LEU  38  -0.889  -8.636  -1.961
  332    H    ILE  39           H        ILE  39  -1.185  -9.625   1.124
  333    HA   ILE  39           HA       ILE  39  -1.690  -7.042   1.922
  334    HB   ILE  39           HB       ILE  39  -3.221  -8.971   2.230
  335   1HG1  ILE  39          2HG1      ILE  39  -2.655  -7.521   4.839
  336   2HG1  ILE  39          3HG1      ILE  39  -3.518  -6.800   3.480
  337   1HG2  ILE  39          1HG2      ILE  39  -1.484  -9.596   4.637
  338   2HG2  ILE  39          2HG2      ILE  39  -2.923 -10.472   4.116
  339   3HG2  ILE  39          3HG2      ILE  39  -1.461 -10.513   3.131
  340   1HD1  ILE  39          1HD1      ILE  39  -5.315  -7.625   4.676
  341   2HD1  ILE  39          2HD1      ILE  39  -4.963  -9.036   3.682
  342   3HD1  ILE  39          3HD1      ILE  39  -4.390  -8.964   5.348
  343    H    GLY  40           H        GLY  40   0.837  -9.118   3.042
  344   1HA   GLY  40          1HA       GLY  40   1.345  -7.360   5.366
  345   2HA   GLY  40          2HA       GLY  40   1.945  -9.004   5.194
  346    H    ARG  41           H        ARG  41   2.123  -7.041   2.356
  347    HA   ARG  41           HA       ARG  41   4.976  -7.232   2.312
  348   1HB   ARG  41          2HB       ARG  41   2.885  -6.371   0.476
  349   2HB   ARG  41          3HB       ARG  41   4.295  -5.320   0.409
  350   1HG   ARG  41          2HG       ARG  41   4.405  -8.345   0.219
  351   2HG   ARG  41          3HG       ARG  41   4.446  -7.256  -1.168
  352   1HD   ARG  41          2HD       ARG  41   6.707  -7.406  -0.871
  353   2HD   ARG  41          3HD       ARG  41   6.418  -6.161   0.338
  354    HE   ARG  41           HE       ARG  41   6.112  -8.786   1.441
  355   1HH1  ARG  41          1HH2      ARG  41   8.785  -7.589  -0.188
  356   2HH1  ARG  41          2HH2      ARG  41   9.862  -7.622   1.168
  357   1HH2  ARG  41          1HH1      ARG  41   7.373  -8.336   3.475
  358   2HH2  ARG  41          2HH1      ARG  41   9.065  -8.047   3.238
  359    H    LEU  42           H        LEU  42   6.281  -5.183   1.763
  360    HA   LEU  42           HA       LEU  42   5.582  -3.072   3.712
  361   1HB   LEU  42          2HB       LEU  42   7.534  -4.546   4.326
  362   2HB   LEU  42          3HB       LEU  42   8.367  -3.931   2.900
  363    HG   LEU  42           HG       LEU  42   7.643  -1.581   3.984
  364   1HD1  LEU  42          1HD1      LEU  42   7.852  -1.690   6.433
  365   2HD1  LEU  42          2HD1      LEU  42   6.488  -2.666   5.890
  366   3HD1  LEU  42          3HD1      LEU  42   8.001  -3.446   6.350
  367   1HD2  LEU  42          1HD2      LEU  42   9.919  -1.765   5.265
  368   2HD2  LEU  42          2HD2      LEU  42  10.014  -3.362   4.525
  369   3HD2  LEU  42          3HD2      LEU  42   9.922  -1.923   3.509
  370    H    VAL  43           H        VAL  43   5.202  -1.158   2.821
  371    HA   VAL  43           HA       VAL  43   6.012  -0.635   0.057
  372    HB   VAL  43           HB       VAL  43   4.540   1.260   0.143
  373   1HG1  VAL  43          1HG1      VAL  43   2.422   0.193   0.797
  374   2HG1  VAL  43          2HG1      VAL  43   3.463  -0.962  -0.035
  375   3HG1  VAL  43          3HG1      VAL  43   3.307  -1.023   1.720
  376   1HG2  VAL  43          1HG2      VAL  43   4.809   0.891   3.106
  377   2HG2  VAL  43          2HG2      VAL  43   4.828   2.378   2.158
  378   3HG2  VAL  43          3HG2      VAL  43   3.302   1.557   2.480
  379    H    LEU  44           H        LEU  44   8.011   0.058  -0.242
  380    HA   LEU  44           HA       LEU  44   9.192   1.895   1.735
  381   1HB   LEU  44          2HB       LEU  44  10.310  -0.363   0.926
  382   2HB   LEU  44          3HB       LEU  44  10.808   0.632  -0.444
  383    HG   LEU  44           HG       LEU  44  11.476   2.338   1.499
  384   1HD1  LEU  44          1HD1      LEU  44  11.915  -0.340   2.840
  385   2HD1  LEU  44          2HD1      LEU  44  12.200   1.263   3.515
  386   3HD1  LEU  44          3HD1      LEU  44  10.551   0.707   3.224
  387   1HD2  LEU  44          1HD2      LEU  44  13.141  -0.103   0.790
  388   2HD2  LEU  44          2HD2      LEU  44  13.009   1.357  -0.192
  389   3HD2  LEU  44          3HD2      LEU  44  13.762   1.432   1.400
  390    H    TRP  45           H        TRP  45   8.609   3.835   1.192
  391    HA   TRP  45           HA       TRP  45   8.353   4.777  -1.537
  392   1HB   TRP  45          2HB       TRP  45   6.956   5.378   0.586
  393   2HB   TRP  45          3HB       TRP  45   8.277   6.473   0.952
  394    HD1  TRP  45           HD1      TRP  45   5.844   5.732  -1.959
  395    HE1  TRP  45           HE1      TRP  45   5.273   7.980  -3.109
  396    HE3  TRP  45           HE3      TRP  45   8.900   8.862   0.673
  397    HZ2  TRP  45           HZ2      TRP  45   6.040  10.731  -2.934
  398    HZ3  TRP  45           HZ3      TRP  45   8.965  11.287   0.159
  399    HH2  TRP  45           HH2      TRP  45   7.541  12.221  -1.640
  400    H    LYS  46           H        LYS  46  10.241   5.048  -2.580
  401    HA   LYS  46           HA       LYS  46  12.615   6.062  -1.252
  402   1HB   LYS  46          2HB       LYS  46  12.698   4.278  -3.002
  403   2HB   LYS  46          3HB       LYS  46  12.159   5.469  -4.184
  404   1HG   LYS  46          2HG       LYS  46  14.139   6.768  -3.938
  405   2HG   LYS  46          3HG       LYS  46  14.605   5.918  -2.465
  406   1HD   LYS  46          2HD       LYS  46  15.160   3.936  -3.654
  407   2HD   LYS  46          3HD       LYS  46  14.330   4.484  -5.111
  408   1HE   LYS  46          2HE       LYS  46  16.823   4.688  -5.267
  409   2HE   LYS  46          3HE       LYS  46  15.986   6.228  -5.465
  410   1HZ   LYS  46          1HZ       LYS  46  16.861   7.030  -3.592
  411   2HZ   LYS  46          2HZ       LYS  46  17.994   5.771  -3.725
  412   3HZ   LYS  46          3HZ       LYS  46  16.627   5.588  -2.732
  413    H    SER  47           H        SER  47  11.985   8.160  -0.640
  414    HA   SER  47           HA       SER  47  10.896  10.090  -2.391
  415   1HB   SER  47          2HB       SER  47  11.218  11.611  -0.639
  416   2HB   SER  47          3HB       SER  47  11.089  10.076   0.200
  417    HG   SER  47           HG       SER  47  13.484  11.393  -0.570
  418    HA   PRO  48           HA       PRO  48  14.393  11.569  -4.625
  419   1HB   PRO  48          2HB       PRO  48  13.949  14.386  -4.196
  420   2HB   PRO  48          3HB       PRO  48  13.481  13.399  -5.591
  421   1HG   PRO  48          2HG       PRO  48  11.729  14.537  -3.798
  422   2HG   PRO  48          3HG       PRO  48  11.362  13.172  -4.863
  423   1HD   PRO  48          2HD       PRO  48  12.018  13.156  -1.941
  424   2HD   PRO  48          3HD       PRO  48  10.929  12.094  -2.864
  425    H    SER  49           H        SER  49  14.062  13.584  -1.682
  426    HA   SER  49           HA       SER  49  16.825  14.298  -1.569
  427   1HB   SER  49          2HB       SER  49  16.197  14.960   0.823
  428   2HB   SER  49          3HB       SER  49  15.319  15.761  -0.475
  429    HG   SER  49           HG       SER  49  14.456  13.467   0.968
  430    H    GLY  50           H        GLY  50  15.578  11.340  -1.303
  431   1HA   GLY  50          1HA       GLY  50  16.716   9.398  -0.674
  432   2HA   GLY  50          2HA       GLY  50  17.819  10.377   0.286
  433    H    LYS  51           H        LYS  51  14.683  11.325   0.934
  434    HA   LYS  51           HA       LYS  51  14.737  10.228   3.583
  435   1HB   LYS  51          2HB       LYS  51  13.394  12.329   2.266
  436   2HB   LYS  51          3HB       LYS  51  12.132  11.221   2.803
  437   1HG   LYS  51          2HG       LYS  51  14.362  12.197   4.607
  438   2HG   LYS  51          3HG       LYS  51  12.786  12.980   4.501
  439   1HD   LYS  51          2HD       LYS  51  11.652  11.081   5.356
  440   2HD   LYS  51          3HD       LYS  51  13.037  10.025   5.076
  441   1HE   LYS  51          2HE       LYS  51  13.185  12.369   6.978
  442   2HE   LYS  51          3HE       LYS  51  12.628  10.778   7.499
  443   1HZ   LYS  51          1HZ       LYS  51  14.803  10.432   7.844
  444   2HZ   LYS  51          2HZ       LYS  51  15.291  11.664   6.781
  445   3HZ   LYS  51          3HZ       LYS  51  14.851  10.140   6.174
  446    H    ILE  52           H        ILE  52  14.688   8.002   3.465
  447    HA   ILE  52           HA       ILE  52  12.668   6.626   1.908
  448    HB   ILE  52           HB       ILE  52  14.514   5.412   3.968
  449   1HG1  ILE  52          2HG1      ILE  52  15.962   6.697   2.535
  450   2HG1  ILE  52          3HG1      ILE  52  16.050   5.031   1.974
  451   1HG2  ILE  52          1HG2      ILE  52  12.618   4.076   2.918
  452   2HG2  ILE  52          2HG2      ILE  52  13.444   4.278   1.372
  453   3HG2  ILE  52          3HG2      ILE  52  14.232   3.406   2.687
  454   1HD1  ILE  52          1HD1      ILE  52  15.779   6.285  -0.015
  455   2HD1  ILE  52          2HD1      ILE  52  14.154   5.696   0.330
  456   3HD1  ILE  52          3HD1      ILE  52  14.590   7.360   0.719
  457    H    LEU  53           H        LEU  53  10.631   6.554   2.600
  458    HA   LEU  53           HA       LEU  53  10.083   6.532   5.496
  459   1HB   LEU  53          2HB       LEU  53   8.125   6.832   3.204
  460   2HB   LEU  53          3HB       LEU  53   7.806   7.104   4.918
  461    HG   LEU  53           HG       LEU  53   9.783   8.677   3.230
  462   1HD1  LEU  53          1HD1      LEU  53   8.112  10.525   3.709
  463   2HD1  LEU  53          2HD1      LEU  53   7.555   9.277   2.594
  464   3HD1  LEU  53          3HD1      LEU  53   7.006   9.271   4.270
  465   1HD2  LEU  53          1HD2      LEU  53   9.574  10.182   5.358
  466   2HD2  LEU  53          2HD2      LEU  53   9.009   8.708   6.145
  467   3HD2  LEU  53          3HD2      LEU  53  10.621   8.764   5.431
  468    H    LYS  54           H        LYS  54   9.535   4.734   6.499
  469    HA   LYS  54           HA       LYS  54   9.041   2.313   4.921
  470   1HB   LYS  54          2HB       LYS  54   9.923   2.851   7.737
  471   2HB   LYS  54          3HB       LYS  54   9.262   1.278   7.298
  472   1HG   LYS  54          2HG       LYS  54  10.995   0.834   5.768
  473   2HG   LYS  54          3HG       LYS  54  11.438   2.536   5.639
  474   1HD   LYS  54          2HD       LYS  54  12.281   2.518   7.942
  475   2HD   LYS  54          3HD       LYS  54  11.793   0.834   8.124
  476   1HE   LYS  54          2HE       LYS  54  13.438   0.062   6.634
  477   2HE   LYS  54          3HE       LYS  54  13.645   1.651   5.895
  478   1HZ   LYS  54          1HZ       LYS  54  14.742   2.450   7.808
  479   2HZ   LYS  54          2HZ       LYS  54  15.447   0.943   7.465
  480   3HZ   LYS  54          3HZ       LYS  54  14.316   1.089   8.725
  481    H    GLY  55           H        GLY  55   6.943   2.102   4.396
  482   1HA   GLY  55          1HA       GLY  55   4.880   2.559   6.463
  483   2HA   GLY  55          2HA       GLY  55   4.587   2.495   4.726
  484    H    LYS  56           H        LYS  56   3.025   0.914   6.356
  485    HA   LYS  56           HA       LYS  56   3.797  -1.741   5.436
  486   1HB   LYS  56          2HB       LYS  56   4.822  -1.430   7.742
  487   2HB   LYS  56          3HB       LYS  56   3.174  -1.363   8.368
  488   1HG   LYS  56          2HG       LYS  56   2.711  -3.581   7.353
  489   2HG   LYS  56          3HG       LYS  56   4.374  -3.650   6.772
  490   1HD   LYS  56          2HD       LYS  56   5.114  -3.379   9.191
  491   2HD   LYS  56          3HD       LYS  56   3.430  -3.631   9.651
  492   1HE   LYS  56          2HE       LYS  56   3.408  -5.839   8.721
  493   2HE   LYS  56          3HE       LYS  56   4.948  -5.580   7.900
  494   1HZ   LYS  56          1HZ       LYS  56   5.830  -6.539   9.690
  495   2HZ   LYS  56          2HZ       LYS  56   4.425  -6.341  10.623
  496   3HZ   LYS  56          3HZ       LYS  56   5.546  -5.069  10.489
  497    H    ILE  57           H        ILE  57   2.079  -2.834   4.754
  498    HA   ILE  57           HA       ILE  57  -0.549  -1.710   4.944
  499    HB   ILE  57           HB       ILE  57   0.424  -4.390   3.917
  500   1HG1  ILE  57          2HG1      ILE  57  -0.627  -2.040   2.333
  501   2HG1  ILE  57          3HG1      ILE  57   1.077  -2.155   2.773
  502   1HG2  ILE  57          1HG2      ILE  57  -1.854  -4.403   2.782
  503   2HG2  ILE  57          2HG2      ILE  57  -1.893  -4.651   4.527
  504   3HG2  ILE  57          3HG2      ILE  57  -2.311  -3.077   3.852
  505   1HD1  ILE  57          1HD1      ILE  57   0.123  -3.203   0.492
  506   2HD1  ILE  57          2HD1      ILE  57   1.462  -3.938   1.371
  507   3HD1  ILE  57          3HD1      ILE  57  -0.171  -4.576   1.559
  508    H    VAL  58           H        VAL  58  -2.158  -2.180   6.348
  509    HA   VAL  58           HA       VAL  58  -1.538  -4.144   8.460
  510    HB   VAL  58           HB       VAL  58  -3.565  -2.800   9.546
  511   1HG1  VAL  58          1HG1      VAL  58  -1.781  -1.165  10.407
  512   2HG1  VAL  58          2HG1      VAL  58  -1.448  -2.882  10.630
  513   3HG1  VAL  58          3HG1      VAL  58  -0.658  -1.993   9.328
  514   1HG2  VAL  58          1HG2      VAL  58  -3.779  -1.460   7.361
  515   2HG2  VAL  58          2HG2      VAL  58  -3.684  -0.519   8.847
  516   3HG2  VAL  58          3HG2      VAL  58  -2.264  -0.680   7.815
  517    H    ARG  59           H        ARG  59  -3.904  -3.320   5.994
  518    HA   ARG  59           HA       ARG  59  -5.061  -5.942   6.181
  519   1HB   ARG  59          2HB       ARG  59  -7.434  -4.729   6.492
  520   2HB   ARG  59          3HB       ARG  59  -6.500  -5.355   7.850
  521   1HG   ARG  59          2HG       ARG  59  -5.717  -3.224   8.461
  522   2HG   ARG  59          3HG       ARG  59  -6.057  -2.541   6.871
  523   1HD   ARG  59          2HD       ARG  59  -7.679  -1.859   8.698
  524   2HD   ARG  59          3HD       ARG  59  -8.417  -2.565   7.263
  525    HE   ARG  59           HE       ARG  59  -7.879  -4.572   9.221
  526   1HH1  ARG  59          1HH2      ARG  59 -10.409  -4.502   7.666
  527   2HH1  ARG  59          2HH2      ARG  59 -11.582  -4.026   8.847
  528   1HH2  ARG  59          1HH1      ARG  59  -9.230  -2.859  11.106
  529   2HH2  ARG  59          2HH1      ARG  59 -10.914  -3.105  10.793
  530    H    VAL  60           H        VAL  60  -6.558  -6.422   4.513
  531    HA   VAL  60           HA       VAL  60  -6.321  -4.640   2.182
  532    HB   VAL  60           HB       VAL  60  -5.635  -7.055   1.981
  533   1HG1  VAL  60          1HG1      VAL  60  -7.158  -8.812   2.194
  534   2HG1  VAL  60          2HG1      VAL  60  -7.679  -7.743   3.496
  535   3HG1  VAL  60          3HG1      VAL  60  -8.557  -7.764   1.966
  536   1HG2  VAL  60          1HG2      VAL  60  -7.820  -5.833   0.312
  537   2HG2  VAL  60          2HG2      VAL  60  -6.123  -6.097  -0.095
  538   3HG2  VAL  60          3HG2      VAL  60  -7.243  -7.457  -0.059
  539    H    HIS  61           H        HIS  61  -7.994  -3.280   1.834
  540    HA   HIS  61           HA       HIS  61 -10.718  -4.324   2.250
  541   1HB   HIS  61          2HB       HIS  61  -9.803  -2.943   4.266
  542   2HB   HIS  61          3HB       HIS  61 -10.107  -1.552   3.227
  543    HD1  HIS  61           HD1      HIS  61 -12.123  -4.756   3.712
  544    HD2  HIS  61           HD2      HIS  61 -12.596  -0.625   4.008
  545    HE1  HIS  61           HE1      HIS  61 -14.567  -4.351   4.232
  546    H    GLY  62           H        GLY  62 -11.740  -4.114   0.384
  547   1HA   GLY  62          1HA       GLY  62 -12.687  -2.007  -0.888
  548   2HA   GLY  62          2HA       GLY  62 -11.026  -1.948  -1.456
  549    H    THR  63           H        THR  63 -11.199  -5.051  -1.154
  550    HA   THR  63           HA       THR  63 -11.369  -6.816  -2.587
  551    HB   THR  63           HB       THR  63 -13.574  -6.938  -3.893
  552    HG1  THR  63           HG1      THR  63 -13.896  -4.634  -3.838
  553   1HG2  THR  63          1HG2      THR  63 -13.248  -6.738  -0.922
  554   2HG2  THR  63          2HG2      THR  63 -14.848  -7.035  -1.599
  555   3HG2  THR  63          3HG2      THR  63 -13.531  -8.163  -1.919
  556    H    LYS  64           H        LYS  64 -11.185  -7.510  -4.814
  557    HA   LYS  64           HA       LYS  64 -10.445  -7.299  -6.991
  558   1HB   LYS  64          2HB       LYS  64 -12.394  -5.619  -7.110
  559   2HB   LYS  64          3HB       LYS  64 -11.170  -4.371  -6.900
  560   1HG   LYS  64          2HG       LYS  64  -9.939  -5.454  -8.872
  561   2HG   LYS  64          3HG       LYS  64 -11.421  -6.364  -9.160
  562   1HD   LYS  64          2HD       LYS  64 -12.021  -4.571 -10.423
  563   2HD   LYS  64          3HD       LYS  64 -12.414  -3.831  -8.872
  564   1HE   LYS  64          2HE       LYS  64  -9.974  -3.430 -10.589
  565   2HE   LYS  64          3HE       LYS  64 -11.024  -2.220  -9.852
  566   1HZ   LYS  64          1HZ       LYS  64  -9.110  -2.210  -8.550
  567   2HZ   LYS  64          2HZ       LYS  64  -8.967  -3.903  -8.558
  568   3HZ   LYS  64          3HZ       LYS  64 -10.196  -3.153  -7.655
  569    H    GLY  65           H        GLY  65  -9.448  -5.202  -4.463
  570   1HA   GLY  65          1HA       GLY  65  -6.883  -5.402  -4.295
  571   2HA   GLY  65          2HA       GLY  65  -6.943  -4.461  -5.785
  572    H    ALA  66           H        ALA  66  -6.502  -4.196  -2.615
  573    HA   ALA  66           HA       ALA  66  -6.539  -1.413  -2.448
  574   1HB   ALA  66          1HB       ALA  66  -8.981  -2.708  -1.200
  575   2HB   ALA  66          2HB       ALA  66  -8.483  -1.030  -0.975
  576   3HB   ALA  66          3HB       ALA  66  -8.995  -1.592  -2.565
  577    H    VAL  67           H        VAL  67  -5.683  -0.722  -0.443
  578    HA   VAL  67           HA       VAL  67  -5.517  -2.606   1.758
  579    HB   VAL  67           HB       VAL  67  -2.993  -2.478   1.807
  580   1HG1  VAL  67          1HG1      VAL  67  -2.715  -4.381   0.425
  581   2HG1  VAL  67          2HG1      VAL  67  -4.405  -4.441   0.924
  582   3HG1  VAL  67          3HG1      VAL  67  -3.981  -3.861  -0.688
  583   1HG2  VAL  67          1HG2      VAL  67  -1.821  -1.922  -0.241
  584   2HG2  VAL  67          2HG2      VAL  67  -3.344  -1.679  -1.095
  585   3HG2  VAL  67          3HG2      VAL  67  -2.861  -0.562   0.181
  586    H    ARG  68           H        ARG  68  -5.273  -1.594   3.667
  587    HA   ARG  68           HA       ARG  68  -5.127   1.325   3.644
  588   1HB   ARG  68          2HB       ARG  68  -6.782  -0.141   5.043
  589   2HB   ARG  68          3HB       ARG  68  -5.406  -0.361   6.124
  590   1HG   ARG  68          2HG       ARG  68  -5.181   2.206   6.077
  591   2HG   ARG  68          3HG       ARG  68  -6.796   2.213   5.368
  592   1HD   ARG  68          2HD       ARG  68  -6.098   0.844   7.980
  593   2HD   ARG  68          3HD       ARG  68  -6.789   2.459   7.870
  594    HE   ARG  68           HE       ARG  68  -8.154  -0.045   7.096
  595   1HH1  ARG  68          1HH1      ARG  68  -8.716   2.147   9.349
  596   2HH1  ARG  68          2HH1      ARG  68 -10.196   2.798   8.729
  597   1HH2  ARG  68          1HH2      ARG  68  -9.841   1.335   5.605
  598   2HH2  ARG  68          2HH2      ARG  68 -10.824   2.352   6.603
  599    H    ALA  69           H        ALA  69  -3.602   2.464   4.989
  600    HA   ALA  69           HA       ALA  69  -1.288   0.922   5.923
  601   1HB   ALA  69          1HB       ALA  69  -1.119   3.160   3.893
  602   2HB   ALA  69          2HB       ALA  69   0.265   2.463   4.735
  603   3HB   ALA  69          3HB       ALA  69  -0.690   1.469   3.634
  604    H    ARG  70           H        ARG  70   0.194   2.201   7.202
  605    HA   ARG  70           HA       ARG  70  -0.828   4.747   8.229
  606   1HB   ARG  70          2HB       ARG  70  -0.534   2.213   9.838
  607   2HB   ARG  70          3HB       ARG  70  -0.434   3.802  10.596
  608   1HG   ARG  70          2HG       ARG  70  -2.657   4.381   9.688
  609   2HG   ARG  70          3HG       ARG  70  -2.762   2.786   8.940
  610   1HD   ARG  70          2HD       ARG  70  -2.358   1.859  11.320
  611   2HD   ARG  70          3HD       ARG  70  -2.763   3.481  11.875
  612    HE   ARG  70           HE       ARG  70  -4.580   1.568  10.602
  613   1HH1  ARG  70          1HH1      ARG  70  -4.230   4.906  10.588
  614   2HH1  ARG  70          2HH1      ARG  70  -5.777   5.259  11.282
  615   1HH2  ARG  70          1HH2      ARG  70  -6.490   1.950  12.028
  616   2HH2  ARG  70          2HH2      ARG  70  -7.056   3.585  12.088
  617    H    PHE  71           H        PHE  71   0.840   6.073   8.134
  618    HA   PHE  71           HA       PHE  71   3.571   5.024   8.333
  619   1HB   PHE  71          2HB       PHE  71   2.431   7.665   7.409
  620   2HB   PHE  71          3HB       PHE  71   4.161   7.381   7.598
  621    HD1  PHE  71           HD1      PHE  71   1.157   5.725   6.053
  622    HD2  PHE  71           HD2      PHE  71   5.348   6.619   5.741
  623    HE1  PHE  71           HE1      PHE  71   1.223   4.640   3.825
  624    HE2  PHE  71           HE2      PHE  71   5.411   5.534   3.513
  625    HZ   PHE  71           HZ       PHE  71   3.349   4.544   2.554
  626    H    GLU  72           H        GLU  72   4.918   5.462   9.983
  627    HA   GLU  72           HA       GLU  72   3.938   6.340  12.477
  628   1HB   GLU  72          2HB       GLU  72   6.750   6.045  11.403
  629   2HB   GLU  72          3HB       GLU  72   6.399   6.470  13.079
  630   1HG   GLU  72          2HG       GLU  72   5.131   4.401  13.378
  631   2HG   GLU  72          3HG       GLU  72   5.370   3.978  11.684
  632    H    LYS  73           H        LYS  73   4.443   8.134   9.766
  633    HA   LYS  73           HA       LYS  73   4.434  10.627  11.255
  634   1HB   LYS  73          2HB       LYS  73   6.886   9.838  10.787
  635   2HB   LYS  73          3HB       LYS  73   6.547  10.352   9.136
  636   1HG   LYS  73          2HG       LYS  73   6.013  12.150  11.507
  637   2HG   LYS  73          3HG       LYS  73   7.582  12.106  10.703
  638   1HD   LYS  73          2HD       LYS  73   6.242  12.477   8.511
  639   2HD   LYS  73          3HD       LYS  73   4.921  12.965   9.572
  640   1HE   LYS  73          2HE       LYS  73   7.700  14.165   9.688
  641   2HE   LYS  73          3HE       LYS  73   6.355  14.881   8.798
  642   1HZ   LYS  73          1HZ       LYS  73   6.924  15.044  11.548
  643   2HZ   LYS  73          2HZ       LYS  73   5.429  14.262  11.345
  644   3HZ   LYS  73          3HZ       LYS  73   5.680  15.802  10.676
  645    H    GLY  74           H        GLY  74   5.185   9.565   7.931
  646   1HA   GLY  74          1HA       GLY  74   3.136   9.714   6.392
  647   2HA   GLY  74          2HA       GLY  74   3.084  11.387   6.939
  648    H    LEU  75           H        LEU  75   3.273  11.581   4.482
  649    HA   LEU  75           HA       LEU  75   6.007  11.275   3.482
  650   1HB   LEU  75          2HB       LEU  75   3.808  12.516   1.867
  651   2HB   LEU  75          3HB       LEU  75   5.123  11.461   1.351
  652    HG   LEU  75           HG       LEU  75   2.654  10.648   2.915
  653   1HD1  LEU  75          1HD1      LEU  75   3.672   9.993   0.137
  654   2HD1  LEU  75          2HD1      LEU  75   2.315   9.172   0.910
  655   3HD1  LEU  75          3HD1      LEU  75   2.212  10.895   0.547
  656   1HD2  LEU  75          1HD2      LEU  75   3.823   8.305   2.328
  657   2HD2  LEU  75          2HD2      LEU  75   5.278   9.293   2.443
  658   3HD2  LEU  75          3HD2      LEU  75   4.185   9.168   3.821
  659    HA   PRO  76           HA       PRO  76   7.069  15.517   3.906
  660   1HB   PRO  76          2HB       PRO  76   8.081  15.948   1.241
  661   2HB   PRO  76          3HB       PRO  76   8.991  15.577   2.714
  662   1HG   PRO  76          2HG       PRO  76   8.696  13.896   0.545
  663   2HG   PRO  76          3HG       PRO  76   9.182  13.402   2.173
  664   1HD   PRO  76          2HD       PRO  76   6.531  13.127   0.832
  665   2HD   PRO  76          3HD       PRO  76   7.292  12.086   2.057
  666    H    GLY  77           H        GLY  77   5.526  17.039   4.089
  667   1HA   GLY  77          1HA       GLY  77   4.157  18.796   3.450
  668   2HA   GLY  77          2HA       GLY  77   4.600  18.485   1.772
  669    H    GLN  78           H        GLN  78   3.705  16.270   0.959
  670    HA   GLN  78           HA       GLN  78   1.278  15.291   2.081
  671   1HB   GLN  78          2HB       GLN  78   1.037  17.643   0.472
  672   2HB   GLN  78          3HB       GLN  78   0.346  16.291  -0.423
  673   1HG   GLN  78          2HG       GLN  78  -0.314  16.703   2.490
  674   2HG   GLN  78          3HG       GLN  78  -1.188  17.578   1.236
  675   1HE2  GLN  78          2HE2      GLN  78   0.037  14.210   1.017
  676   2HE2  GLN  78          1HE2      GLN  78  -1.493  13.506   0.837
  677    H    ALA  79           H        ALA  79   2.337  15.878  -1.277
  678    HA   ALA  79           HA       ALA  79   2.900  14.445  -2.976
  679   1HB   ALA  79          1HB       ALA  79   3.366  12.242  -0.988
  680   2HB   ALA  79          2HB       ALA  79   4.230  12.598  -2.482
  681   3HB   ALA  79          3HB       ALA  79   4.467  13.616  -1.063
  682    H    LEU  80           H        LEU  80   0.149  14.534  -1.745
  683    HA   LEU  80           HA       LEU  80  -1.067  11.998  -1.800
  684   1HB   LEU  80          2HB       LEU  80  -1.956  14.417  -1.118
  685   2HB   LEU  80          3HB       LEU  80  -2.596  14.380  -2.759
  686    HG   LEU  80           HG       LEU  80  -3.081  12.263  -0.635
  687   1HD1  LEU  80          1HD1      LEU  80  -4.223  14.532  -0.351
  688   2HD1  LEU  80          2HD1      LEU  80  -5.070  14.190  -1.860
  689   3HD1  LEU  80          3HD1      LEU  80  -5.301  13.143  -0.459
  690   1HD2  LEU  80          1HD2      LEU  80  -3.169  11.182  -2.761
  691   2HD2  LEU  80          2HD2      LEU  80  -4.847  11.560  -2.375
  692   3HD2  LEU  80          3HD2      LEU  80  -3.960  12.568  -3.518
  693    H    GLY  81           H        GLY  81  -0.732  10.666  -3.498
  694   1HA   GLY  81          1HA       GLY  81  -1.710   9.990  -5.624
  695   2HA   GLY  81          2HA       GLY  81  -1.524  11.648  -6.178
  696    H    ASP  82           H        ASP  82   1.184  10.786  -4.388
  697    HA   ASP  82           HA       ASP  82   2.862  10.736  -6.714
  698   1HB   ASP  82          2HB       ASP  82   3.512  11.731  -4.495
  699   2HB   ASP  82          3HB       ASP  82   3.614  10.092  -3.856
  700    H    TYR  83           H        TYR  83   4.012   9.024  -7.567
  701    HA   TYR  83           HA       TYR  83   2.839   6.430  -7.320
  702   1HB   TYR  83          2HB       TYR  83   4.875   7.730  -8.971
  703   2HB   TYR  83          3HB       TYR  83   5.310   6.075  -8.546
  704    HD1  TYR  83           HD1      TYR  83   1.897   7.537  -9.054
  705    HD2  TYR  83           HD2      TYR  83   4.914   4.850 -10.527
  706    HE1  TYR  83           HE1      TYR  83   0.308   6.680 -10.751
  707    HE2  TYR  83           HE2      TYR  83   3.320   3.997 -12.223
  708    HH   TYR  83           HH       TYR  83   0.955   5.309 -13.347
  709    H    VAL  84           H        VAL  84   3.121   5.180  -5.586
  710    HA   VAL  84           HA       VAL  84   5.577   5.427  -4.008
  711    HB   VAL  84           HB       VAL  84   4.426   3.863  -2.440
  712   1HG1  VAL  84          1HG1      VAL  84   2.313   5.852  -2.787
  713   2HG1  VAL  84          2HG1      VAL  84   3.461   5.655  -1.464
  714   3HG1  VAL  84          3HG1      VAL  84   3.923   6.558  -2.906
  715   1HG2  VAL  84          1HG2      VAL  84   1.997   4.221  -4.208
  716   2HG2  VAL  84          2HG2      VAL  84   3.056   2.818  -4.344
  717   3HG2  VAL  84          3HG2      VAL  84   2.194   3.128  -2.838
  718    H    GLU  85           H        GLU  85   6.524   3.268  -3.216
  719    HA   GLU  85           HA       GLU  85   6.353   1.149  -5.219
  720   1HB   GLU  85          2HB       GLU  85   8.986   2.507  -4.588
  721   2HB   GLU  85          3HB       GLU  85   8.737   1.159  -5.692
  722   1HG   GLU  85          2HG       GLU  85   7.223   2.634  -7.050
  723   2HG   GLU  85          3HG       GLU  85   7.671   3.978  -6.002
  724    H    ILE  86           H        ILE  86   7.393  -0.790  -4.581
  725    HA   ILE  86           HA       ILE  86   7.765  -0.977  -1.655
  726    HB   ILE  86           HB       ILE  86   6.890  -2.995  -3.738
  727   1HG1  ILE  86          2HG1      ILE  86   5.527  -2.588  -1.115
  728   2HG1  ILE  86          3HG1      ILE  86   5.400  -1.278  -2.287
  729   1HG2  ILE  86          1HG2      ILE  86   8.225  -3.417  -1.118
  730   2HG2  ILE  86          2HG2      ILE  86   6.777  -4.382  -1.404
  731   3HG2  ILE  86          3HG2      ILE  86   8.138  -4.481  -2.522
  732   1HD1  ILE  86          1HD1      ILE  86   4.297  -2.617  -3.861
  733   2HD1  ILE  86          2HD1      ILE  86   4.881  -4.116  -3.140
  734   3HD1  ILE  86          3HD1      ILE  86   3.615  -3.185  -2.336
  735    H    VAL  87           H        VAL  87   9.919   0.026  -2.174
  736    HA   VAL  87           HA       VAL  87  11.757  -1.833  -3.519
  737    HB   VAL  87           HB       VAL  87  12.798   0.687  -2.349
  738   1HG1  VAL  87          1HG1      VAL  87  14.211  -0.763  -3.718
  739   2HG1  VAL  87          2HG1      VAL  87  13.031  -0.721  -5.026
  740   3HG1  VAL  87          3HG1      VAL  87  13.908   0.743  -4.581
  741   1HG2  VAL  87          1HG2      VAL  87  11.886   1.909  -4.411
  742   2HG2  VAL  87          2HG2      VAL  87  10.749   0.571  -4.580
  743   3HG2  VAL  87          3HG2      VAL  87  10.716   1.581  -3.136
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  13.664  -8.831  -6.282
    2   2H    MET   1          2HT       MET   1  12.938  -8.099  -4.932
    3   3H    MET   1          3HT       MET   1  13.891  -7.175  -5.995
    4    HA   MET   1           HA       MET   1  12.304  -7.483  -7.767
    5   1HB   MET   1          2HB       MET   1  10.948  -9.181  -5.665
    6   2HB   MET   1          3HB       MET   1  10.070  -8.529  -7.050
    7   1HG   MET   1          2HG       MET   1  11.801  -9.592  -8.545
    8   2HG   MET   1          3HG       MET   1  12.460 -10.389  -7.115
    9   1HE   MET   1          1HE       MET   1  12.352 -12.242  -8.497
   10   2HE   MET   1          2HE       MET   1  11.069 -12.357  -9.698
   11   3HE   MET   1          3HE       MET   1  11.076 -13.453  -8.321
   12    H    ARG   2           H        ARG   2  11.201  -5.646  -8.042
   13    HA   ARG   2           HA       ARG   2  10.252  -4.199  -5.637
   14   1HB   ARG   2          2HB       ARG   2  10.968  -2.863  -8.237
   15   2HB   ARG   2          3HB       ARG   2  10.888  -2.167  -6.619
   16   1HG   ARG   2          2HG       ARG   2  12.826  -3.666  -5.977
   17   2HG   ARG   2          3HG       ARG   2  12.971  -4.093  -7.682
   18   1HD   ARG   2          2HD       ARG   2  13.010  -1.230  -6.712
   19   2HD   ARG   2          3HD       ARG   2  14.472  -2.194  -6.893
   20    HE   ARG   2           HE       ARG   2  12.666  -1.420  -9.105
   21   1HH1  ARG   2          1HH1      ARG   2  15.666  -0.624  -8.324
   22   2HH1  ARG   2          2HH1      ARG   2  16.496  -1.388  -9.639
   23   1HH2  ARG   2          1HH2      ARG   2  13.756  -3.270 -10.624
   24   2HH2  ARG   2          2HH2      ARG   2  15.418  -2.891 -10.935
   25    H    ILE   3           H        ILE   3   8.377  -2.771  -6.016
   26    HA   ILE   3           HA       ILE   3   6.732  -3.438  -8.346
   27    HB   ILE   3           HB       ILE   3   5.344  -3.651  -5.719
   28   1HG1  ILE   3          2HG1      ILE   3   7.019  -5.870  -6.950
   29   2HG1  ILE   3          3HG1      ILE   3   7.299  -5.106  -5.386
   30   1HG2  ILE   3          1HG2      ILE   3   4.301  -3.710  -8.072
   31   2HG2  ILE   3          2HG2      ILE   3   5.034  -5.308  -8.227
   32   3HG2  ILE   3          3HG2      ILE   3   3.841  -5.004  -6.964
   33   1HD1  ILE   3          1HD1      ILE   3   5.074  -6.957  -6.207
   34   2HD1  ILE   3          2HD1      ILE   3   6.137  -7.060  -4.805
   35   3HD1  ILE   3          3HD1      ILE   3   4.857  -5.849  -4.852
   36    H    LYS   4           H        LYS   4   5.202  -1.934  -8.845
   37    HA   LYS   4           HA       LYS   4   5.534   0.671  -7.573
   38   1HB   LYS   4          2HB       LYS   4   4.041  -0.178 -10.062
   39   2HB   LYS   4          3HB       LYS   4   4.207   1.486  -9.503
   40   1HG   LYS   4          2HG       LYS   4   6.695  -0.149  -9.809
   41   2HG   LYS   4          3HG       LYS   4   5.916   0.459 -11.268
   42   1HD   LYS   4          2HD       LYS   4   6.291   2.379  -9.010
   43   2HD   LYS   4          3HD       LYS   4   7.721   1.913  -9.930
   44   1HE   LYS   4          2HE       LYS   4   5.213   2.753 -11.369
   45   2HE   LYS   4          3HE       LYS   4   6.322   3.970 -10.736
   46   1HZ   LYS   4          1HZ       LYS   4   7.989   3.319 -12.139
   47   2HZ   LYS   4          2HZ       LYS   4   6.635   3.036 -13.122
   48   3HZ   LYS   4          3HZ       LYS   4   7.390   1.743 -12.323
   49    H    GLY   5           H        GLY   5   3.377   2.010  -7.659
   50   1HA   GLY   5          1HA       GLY   5   0.911   0.735  -7.041
   51   2HA   GLY   5          2HA       GLY   5   1.739   1.213  -5.560
   52    H    VAL   6           H        VAL   6  -0.617   2.428  -5.948
   53    HA   VAL   6           HA       VAL   6   0.180   5.195  -6.467
   54    HB   VAL   6           HB       VAL   6  -2.351   4.165  -7.745
   55   1HG1  VAL   6          1HG1      VAL   6  -2.053   6.216  -9.105
   56   2HG1  VAL   6          2HG1      VAL   6  -2.141   6.583  -7.384
   57   3HG1  VAL   6          3HG1      VAL   6  -0.582   6.586  -8.205
   58   1HG2  VAL   6          1HG2      VAL   6  -1.055   4.172  -9.904
   59   2HG2  VAL   6          2HG2      VAL   6   0.426   4.328  -8.962
   60   3HG2  VAL   6          3HG2      VAL   6  -0.575   2.884  -8.801
   61    H    VAL   7           H        VAL   7  -0.816   6.614  -5.156
   62    HA   VAL   7           HA       VAL   7  -2.500   5.587  -3.036
   63    HB   VAL   7           HB       VAL   7  -1.472   8.369  -3.651
   64   1HG1  VAL   7          1HG1      VAL   7  -2.087   8.628  -1.125
   65   2HG1  VAL   7          2HG1      VAL   7  -3.371   8.771  -2.326
   66   3HG1  VAL   7          3HG1      VAL   7  -3.174   7.271  -1.419
   67   1HG2  VAL   7          1HG2      VAL   7  -0.636   6.641  -1.339
   68   2HG2  VAL   7          2HG2      VAL   7   0.062   6.347  -2.933
   69   3HG2  VAL   7          3HG2      VAL   7   0.261   7.919  -2.160
   70    H    LEU   8           H        LEU   8  -4.618   6.228  -2.590
   71    HA   LEU   8           HA       LEU   8  -6.105   7.254  -4.929
   72   1HB   LEU   8          2HB       LEU   8  -7.156   5.699  -2.548
   73   2HB   LEU   8          3HB       LEU   8  -8.049   6.123  -4.009
   74    HG   LEU   8           HG       LEU   8  -5.632   4.293  -3.845
   75   1HD1  LEU   8          1HD1      LEU   8  -7.423   2.966  -3.194
   76   2HD1  LEU   8          2HD1      LEU   8  -8.590   3.900  -4.129
   77   3HD1  LEU   8          3HD1      LEU   8  -7.506   2.776  -4.944
   78   1HD2  LEU   8          1HD2      LEU   8  -7.132   5.501  -6.165
   79   2HD2  LEU   8          2HD2      LEU   8  -5.393   5.343  -5.938
   80   3HD2  LEU   8          3HD2      LEU   8  -6.360   3.926  -6.331
   81    H    SER   9           H        SER   9  -5.850   7.501  -1.392
   82    HA   SER   9           HA       SER   9  -6.334  10.314  -1.417
   83   1HB   SER   9          2HB       SER   9  -8.608   8.476  -0.818
   84   2HB   SER   9          3HB       SER   9  -8.445   9.944   0.141
   85    HG   SER   9           HG       SER   9  -8.988  11.083  -1.545
   86    H    TYR  10           H        TYR  10  -5.567  11.232   0.421
   87    HA   TYR  10           HA       TYR  10  -4.513   9.422   2.477
   88   1HB   TYR  10          2HB       TYR  10  -3.036  11.158   1.409
   89   2HB   TYR  10          3HB       TYR  10  -4.036  12.397   2.162
   90    HD1  TYR  10           HD1      TYR  10  -4.214  12.510   4.663
   91    HD2  TYR  10           HD2      TYR  10  -1.420   9.920   2.679
   92    HE1  TYR  10           HE1      TYR  10  -2.943  12.267   6.776
   93    HE2  TYR  10           HE2      TYR  10  -0.147   9.677   4.793
   94    HH   TYR  10           HH       TYR  10  -1.254  11.233   7.802
   95    H    ARG  11           H        ARG  11  -5.751   9.037   4.191
   96    HA   ARG  11           HA       ARG  11  -7.833  10.931   4.987
   97   1HB   ARG  11          2HB       ARG  11  -7.136   8.139   5.919
   98   2HB   ARG  11          3HB       ARG  11  -8.452   9.101   6.591
   99   1HG   ARG  11          2HG       ARG  11  -9.471   9.259   4.332
  100   2HG   ARG  11          3HG       ARG  11  -8.173   8.248   3.692
  101   1HD   ARG  11          2HD       ARG  11  -8.827   6.436   5.239
  102   2HD   ARG  11          3HD       ARG  11 -10.125   7.446   5.868
  103    HE   ARG  11           HE       ARG  11 -10.207   7.031   2.998
  104   1HH1  ARG  11          1HH1      ARG  11 -11.781   6.728   5.992
  105   2HH1  ARG  11          2HH1      ARG  11 -12.871   5.485   5.480
  106   1HH2  ARG  11          1HH2      ARG  11 -11.357   5.047   2.399
  107   2HH2  ARG  11          2HH2      ARG  11 -12.629   4.533   3.455
  108    H    ARG  12           H        ARG  12  -6.825  12.627   6.048
  109    HA   ARG  12           HA       ARG  12  -4.829  12.109   8.090
  110   1HB   ARG  12          2HB       ARG  12  -4.866  14.126   6.528
  111   2HB   ARG  12          3HB       ARG  12  -6.191  14.741   7.516
  112   1HG   ARG  12          2HG       ARG  12  -4.785  14.671   9.511
  113   2HG   ARG  12          3HG       ARG  12  -3.467  13.948   8.586
  114   1HD   ARG  12          2HD       ARG  12  -3.172  15.922   7.281
  115   2HD   ARG  12          3HD       ARG  12  -4.681  16.617   7.864
  116    HE   ARG  12           HE       ARG  12  -3.001  16.154  10.080
  117   1HH1  ARG  12          1HH1      ARG  12  -1.848  17.524   7.284
  118   2HH1  ARG  12          2HH1      ARG  12  -1.568  19.106   7.930
  119   1HH2  ARG  12          1HH2      ARG  12  -3.239  18.473  10.904
  120   2HH2  ARG  12          2HH2      ARG  12  -2.370  19.648   9.974
  121    H    SER  13           H        SER  13  -6.771  10.669   8.992
  122    HA   SER  13           HA       SER  13  -7.485  11.744  11.495
  123   1HB   SER  13          2HB       SER  13  -9.067  13.133  10.316
  124   2HB   SER  13          3HB       SER  13  -9.676  11.755   9.409
  125    HG   SER  13           HG       SER  13 -10.891  12.483  11.352
  126    H    LYS  14           H        LYS  14 -10.219  10.163  10.751
  127    HA   LYS  14           HA       LYS  14 -11.009   8.034  10.998
  128   1HB   LYS  14          2HB       LYS  14  -9.206   7.664   9.162
  129   2HB   LYS  14          3HB       LYS  14  -8.263   6.933  10.461
  130   1HG   LYS  14          2HG       LYS  14 -10.285   5.480  10.965
  131   2HG   LYS  14          3HG       LYS  14 -10.999   6.089   9.472
  132   1HD   LYS  14          2HD       LYS  14  -8.778   5.336   8.354
  133   2HD   LYS  14          3HD       LYS  14  -8.529   4.391   9.821
  134   1HE   LYS  14          2HE       LYS  14 -10.592   4.059   7.679
  135   2HE   LYS  14          3HE       LYS  14  -9.663   2.833   8.538
  136   1HZ   LYS  14          1HZ       LYS  14 -11.060   3.850  10.542
  137   2HZ   LYS  14          2HZ       LYS  14 -11.617   2.555   9.594
  138   3HZ   LYS  14          3HZ       LYS  14 -12.157   4.134   9.280
  139    H    GLU  15           H        GLU  15  -8.837   9.453  12.993
  140    HA   GLU  15           HA       GLU  15  -8.239   9.136  15.184
  141   1HB   GLU  15          2HB       GLU  15 -10.195   6.829  15.233
  142   2HB   GLU  15          3HB       GLU  15  -9.640   7.807  16.590
  143   1HG   GLU  15          2HG       GLU  15 -10.628   9.787  15.104
  144   2HG   GLU  15          3HG       GLU  15 -11.616   8.481  14.452
  145    H    ASN  16           H        ASN  16  -8.990   5.784  14.272
  146    HA   ASN  16           HA       ASN  16  -7.756   3.863  14.608
  147   1HB   ASN  16          2HB       ASN  16  -5.642   3.917  13.194
  148   2HB   ASN  16          3HB       ASN  16  -7.144   4.323  12.371
  149   1HD2  ASN  16          2HD2      ASN  16  -7.609   6.776  12.232
  150   2HD2  ASN  16          1HD2      ASN  16  -6.275   7.803  12.013
  151    H    GLN  17           H        GLN  17  -4.644   5.152  14.320
  152    HA   GLN  17           HA       GLN  17  -4.217   5.525  17.177
  153   1HB   GLN  17          2HB       GLN  17  -4.037   2.976  16.363
  154   2HB   GLN  17          3HB       GLN  17  -2.420   3.506  15.914
  155   1HG   GLN  17          2HG       GLN  17  -3.689   3.688  18.664
  156   2HG   GLN  17          3HG       GLN  17  -2.360   2.635  18.187
  157   1HE2  GLN  17          2HE2      GLN  17  -0.297   3.801  17.469
  158   2HE2  GLN  17          1HE2      GLN  17   0.053   5.304  18.170
  159    H    HIS  18           H        HIS  18  -4.010   7.233  14.897
  160    HA   HIS  18           HA       HIS  18  -1.359   8.251  15.324
  161   1HB   HIS  18          2HB       HIS  18  -2.015   6.814  12.769
  162   2HB   HIS  18          3HB       HIS  18  -0.981   8.241  12.707
  163    HD1  HIS  18           HD1      HIS  18   1.233   8.144  14.230
  164    HD2  HIS  18           HD2      HIS  18  -0.743   4.513  13.704
  165    HE1  HIS  18           HE1      HIS  18   2.863   6.333  14.921
  166    H    ASN  19           H        ASN  19  -4.551   8.388  14.408
  167    HA   ASN  19           HA       ASN  19  -5.981  10.105  13.988
  168   1HB   ASN  19          2HB       ASN  19  -3.806  12.145  14.223
  169   2HB   ASN  19          3HB       ASN  19  -5.464  12.201  14.815
  170   1HD2  ASN  19          2HD2      ASN  19  -2.274  11.792  15.841
  171   2HD2  ASN  19          1HD2      ASN  19  -2.579  11.013  17.317
  172    H    ASN  20           H        ASN  20  -3.752   9.048  11.986
  173    HA   ASN  20           HA       ASN  20  -4.780  10.552   9.729
  174   1HB   ASN  20          2HB       ASN  20  -1.781  10.509  10.083
  175   2HB   ASN  20          3HB       ASN  20  -2.732  11.454   8.943
  176   1HD2  ASN  20          2HD2      ASN  20  -1.417  11.394  12.166
  177   2HD2  ASN  20          1HD2      ASN  20  -2.023  12.903  12.655
  178    H    VAL  21           H        VAL  21  -5.382   8.850   8.500
  179    HA   VAL  21           HA       VAL  21  -3.515   6.574   8.168
  180    HB   VAL  21           HB       VAL  21  -6.522   6.769   7.884
  181   1HG1  VAL  21          1HG1      VAL  21  -4.617   4.589   6.997
  182   2HG1  VAL  21          2HG1      VAL  21  -6.316   4.273   7.341
  183   3HG1  VAL  21          3HG1      VAL  21  -5.872   5.385   6.046
  184   1HG2  VAL  21          1HG2      VAL  21  -6.343   4.851   9.544
  185   2HG2  VAL  21          2HG2      VAL  21  -4.623   5.221   9.663
  186   3HG2  VAL  21          3HG2      VAL  21  -5.819   6.421  10.151
  187    H    MET  22           H        MET  22  -3.621   5.538   5.938
  188    HA   MET  22           HA       MET  22  -4.270   7.404   3.775
  189   1HB   MET  22          2HB       MET  22  -2.031   7.182   2.766
  190   2HB   MET  22          3HB       MET  22  -1.955   7.963   4.344
  191   1HG   MET  22          2HG       MET  22  -1.708   5.306   5.018
  192   2HG   MET  22          3HG       MET  22  -0.848   5.376   3.481
  193   1HE   MET  22          1HE       MET  22  -0.317   6.572   7.480
  194   2HE   MET  22          2HE       MET  22  -1.707   7.104   6.542
  195   3HE   MET  22          3HE       MET  22  -0.414   8.242   6.907
  196    H    ILE  23           H        ILE  23  -4.943   6.394   1.962
  197    HA   ILE  23           HA       ILE  23  -5.014   3.462   2.005
  198    HB   ILE  23           HB       ILE  23  -6.451   5.441   0.214
  199   1HG1  ILE  23          2HG1      ILE  23  -7.515   3.731   2.487
  200   2HG1  ILE  23          3HG1      ILE  23  -7.095   5.434   2.664
  201   1HG2  ILE  23          1HG2      ILE  23  -7.854   3.359  -0.264
  202   2HG2  ILE  23          2HG2      ILE  23  -6.234   3.362  -0.960
  203   3HG2  ILE  23          3HG2      ILE  23  -6.564   2.427   0.498
  204   1HD1  ILE  23          1HD1      ILE  23  -8.756   6.084   1.032
  205   2HD1  ILE  23          2HD1      ILE  23  -9.085   4.397   0.625
  206   3HD1  ILE  23          3HD1      ILE  23  -9.537   5.028   2.209
  207    H    ILE  24           H        ILE  24  -4.496   2.247   0.077
  208    HA   ILE  24           HA       ILE  24  -2.776   3.596  -1.885
  209    HB   ILE  24           HB       ILE  24  -1.915   1.438   0.028
  210   1HG1  ILE  24          2HG1      ILE  24  -0.502   3.882  -1.087
  211   2HG1  ILE  24          3HG1      ILE  24  -1.404   3.868   0.427
  212   1HG2  ILE  24          1HG2      ILE  24  -1.404   0.414  -2.073
  213   2HG2  ILE  24          2HG2      ILE  24  -0.873   1.943  -2.771
  214   3HG2  ILE  24          3HG2      ILE  24   0.097   1.159  -1.525
  215   1HD1  ILE  24          1HD1      ILE  24   1.095   2.304  -0.249
  216   2HD1  ILE  24          2HD1      ILE  24   0.880   3.501   1.027
  217   3HD1  ILE  24          3HD1      ILE  24   0.089   1.931   1.149
  218    H    LYS  25           H        LYS  25  -2.352   2.303  -3.776
  219    HA   LYS  25           HA       LYS  25  -4.077  -0.048  -4.151
  220   1HB   LYS  25          2HB       LYS  25  -5.380   1.884  -4.948
  221   2HB   LYS  25          3HB       LYS  25  -4.041   2.359  -5.994
  222   1HG   LYS  25          2HG       LYS  25  -4.215   0.217  -7.206
  223   2HG   LYS  25          3HG       LYS  25  -5.547  -0.272  -6.158
  224   1HD   LYS  25          2HD       LYS  25  -6.970   1.457  -7.004
  225   2HD   LYS  25          3HD       LYS  25  -5.626   2.260  -7.816
  226   1HE   LYS  25          2HE       LYS  25  -6.496  -0.554  -8.511
  227   2HE   LYS  25          3HE       LYS  25  -7.149   0.871  -9.319
  228   1HZ   LYS  25          1HZ       LYS  25  -5.081  -0.317 -10.288
  229   2HZ   LYS  25          2HZ       LYS  25  -4.236   0.537  -9.085
  230   3HZ   LYS  25          3HZ       LYS  25  -5.132   1.377 -10.260
  231    HA   PRO  26           HA       PRO  26   0.068  -0.971  -5.793
  232   1HB   PRO  26          2HB       PRO  26  -0.792  -3.694  -6.148
  233   2HB   PRO  26          3HB       PRO  26   0.350  -3.053  -4.963
  234   1HG   PRO  26          2HG       PRO  26  -2.299  -3.977  -4.523
  235   2HG   PRO  26          3HG       PRO  26  -1.158  -3.314  -3.348
  236   1HD   PRO  26          2HD       PRO  26  -3.540  -2.083  -4.387
  237   2HD   PRO  26          3HD       PRO  26  -2.401  -1.426  -3.196
  238    H    LEU  27           H        LEU  27   0.758  -1.234  -7.916
  239    HA   LEU  27           HA       LEU  27  -0.625  -0.380 -10.020
  240   1HB   LEU  27          2HB       LEU  27   1.823  -1.434  -9.780
  241   2HB   LEU  27          3HB       LEU  27   1.049  -2.739 -10.675
  242    HG   LEU  27           HG       LEU  27   0.254  -1.076 -12.354
  243   1HD1  LEU  27          1HD1      LEU  27   1.578   0.770 -10.418
  244   2HD1  LEU  27          2HD1      LEU  27   1.752   1.143 -12.132
  245   3HD1  LEU  27          3HD1      LEU  27   0.147   1.025 -11.414
  246   1HD2  LEU  27          1HD2      LEU  27   2.781  -0.404 -12.999
  247   2HD2  LEU  27          2HD2      LEU  27   3.126  -1.617 -11.766
  248   3HD2  LEU  27          3HD2      LEU  27   2.167  -2.047 -13.184
  249    H    ASP  28           H        ASP  28  -0.155  -3.904 -10.173
  250    HA   ASP  28           HA       ASP  28  -2.787  -4.105 -11.405
  251   1HB   ASP  28          2HB       ASP  28  -2.157  -6.575 -11.608
  252   2HB   ASP  28          3HB       ASP  28  -1.227  -5.425 -12.569
  253    H    VAL  29           H        VAL  29  -1.408  -6.580  -9.279
  254    HA   VAL  29           HA       VAL  29  -2.515  -7.827  -7.667
  255    HB   VAL  29           HB       VAL  29  -2.734  -4.956  -6.729
  256   1HG1  VAL  29          1HG1      VAL  29  -2.958  -6.407  -4.442
  257   2HG1  VAL  29          2HG1      VAL  29  -4.346  -5.751  -5.308
  258   3HG1  VAL  29          3HG1      VAL  29  -3.872  -7.435  -5.546
  259   1HG2  VAL  29          1HG2      VAL  29  -0.959  -7.311  -6.010
  260   2HG2  VAL  29          2HG2      VAL  29  -0.474  -5.856  -6.879
  261   3HG2  VAL  29          3HG2      VAL  29  -0.930  -5.757  -5.177
  262    H    ASN  30           H        ASN  30  -3.994  -7.934  -9.721
  263    HA   ASN  30           HA       ASN  30  -6.652  -6.834  -9.289
  264   1HB   ASN  30          2HB       ASN  30  -7.032  -8.089 -11.517
  265   2HB   ASN  30          3HB       ASN  30  -5.971  -6.686 -11.525
  266   1HD2  ASN  30          2HD2      ASN  30  -4.060  -7.052 -12.620
  267   2HD2  ASN  30          1HD2      ASN  30  -3.280  -8.552 -12.757
  268    H    SER  31           H        SER  31  -5.688  -8.829  -7.394
  269    HA   SER  31           HA       SER  31  -7.955 -10.627  -7.489
  270   1HB   SER  31          2HB       SER  31  -5.139 -11.633  -7.852
  271   2HB   SER  31          3HB       SER  31  -6.417 -12.651  -7.189
  272    HG   SER  31           HG       SER  31  -7.612 -12.224  -9.094
  273    H    ARG  32           H        ARG  32  -8.644 -11.009  -5.453
  274    HA   ARG  32           HA       ARG  32  -7.396  -9.848  -3.209
  275   1HB   ARG  32          2HB       ARG  32  -9.710 -10.341  -2.985
  276   2HB   ARG  32          3HB       ARG  32  -9.483 -12.015  -3.483
  277   1HG   ARG  32          2HG       ARG  32  -8.465 -12.619  -1.437
  278   2HG   ARG  32          3HG       ARG  32  -8.128 -10.940  -1.014
  279   1HD   ARG  32          2HD       ARG  32 -10.002 -11.744   0.321
  280   2HD   ARG  32          3HD       ARG  32 -10.572 -10.527  -0.816
  281    HE   ARG  32           HE       ARG  32 -11.148 -12.644  -2.234
  282   1HH1  ARG  32          1HH1      ARG  32 -13.246 -11.620  -0.317
  283   2HH1  ARG  32          2HH1      ARG  32 -13.686 -13.059   0.542
  284   1HH2  ARG  32          1HH2      ARG  32 -10.859 -14.819  -0.466
  285   2HH2  ARG  32          2HH2      ARG  32 -12.321 -14.880   0.462
  286    H    GLU  33           H        GLU  33  -6.980 -12.849  -4.877
  287    HA   GLU  33           HA       GLU  33  -5.664 -14.359  -2.880
  288   1HB   GLU  33          2HB       GLU  33  -6.523 -15.125  -5.199
  289   2HB   GLU  33          3HB       GLU  33  -4.988 -14.514  -5.818
  290   1HG   GLU  33          2HG       GLU  33  -4.419 -16.722  -5.359
  291   2HG   GLU  33          3HG       GLU  33  -3.970 -15.945  -3.842
  292    H    GLU  34           H        GLU  34  -4.580 -11.935  -5.190
  293    HA   GLU  34           HA       GLU  34  -1.797 -12.177  -4.344
  294   1HB   GLU  34          2HB       GLU  34  -3.086 -10.213  -6.262
  295   2HB   GLU  34          3HB       GLU  34  -1.356 -10.446  -6.019
  296   1HG   GLU  34          2HG       GLU  34  -3.234 -12.643  -6.939
  297   2HG   GLU  34          3HG       GLU  34  -2.295 -11.639  -8.038
  298    H    ALA  35           H        ALA  35  -4.539  -9.951  -4.054
  299    HA   ALA  35           HA       ALA  35  -3.186  -7.855  -2.725
  300   1HB   ALA  35          1HB       ALA  35  -6.022  -8.435  -1.996
  301   2HB   ALA  35          2HB       ALA  35  -5.264  -6.906  -2.442
  302   3HB   ALA  35          3HB       ALA  35  -5.680  -8.083  -3.690
  303    H    SER  36           H        SER  36  -5.231 -10.453  -1.349
  304    HA   SER  36           HA       SER  36  -4.661  -9.985   1.348
  305   1HB   SER  36          2HB       SER  36  -6.439 -11.505   0.593
  306   2HB   SER  36          3HB       SER  36  -5.229 -12.632  -0.011
  307    HG   SER  36           HG       SER  36  -6.066 -12.115   2.563
  308    H    LYS  37           H        LYS  37  -2.715 -11.390  -1.145
  309    HA   LYS  37           HA       LYS  37  -0.952 -12.909   0.491
  310   1HB   LYS  37          2HB       LYS  37  -1.266 -13.071  -2.044
  311   2HB   LYS  37          3HB       LYS  37  -0.198 -11.673  -2.153
  312   1HG   LYS  37          2HG       LYS  37   1.412 -13.025  -0.650
  313   2HG   LYS  37          3HG       LYS  37   0.422 -14.422  -1.071
  314   1HD   LYS  37          2HD       LYS  37   0.809 -13.952  -3.479
  315   2HD   LYS  37          3HD       LYS  37   1.841 -12.594  -3.034
  316   1HE   LYS  37          2HE       LYS  37   2.313 -15.503  -2.321
  317   2HE   LYS  37          3HE       LYS  37   3.225 -14.559  -3.501
  318   1HZ   LYS  37          1HZ       LYS  37   4.513 -14.435  -1.600
  319   2HZ   LYS  37          2HZ       LYS  37   3.173 -14.301  -0.563
  320   3HZ   LYS  37          3HZ       LYS  37   3.634 -12.987  -1.537
  321    H    LEU  38           H        LEU  38  -0.417  -9.727  -1.108
  322    HA   LEU  38           HA       LEU  38   1.950  -9.305   0.490
  323   1HB   LEU  38          2HB       LEU  38   2.466  -7.611  -0.943
  324   2HB   LEU  38          3HB       LEU  38   1.333  -8.475  -1.972
  325    HG   LEU  38           HG       LEU  38   0.693  -6.061  -0.239
  326   1HD1  LEU  38          1HD1      LEU  38   0.874  -6.449  -3.242
  327   2HD1  LEU  38          2HD1      LEU  38   0.273  -4.989  -2.451
  328   3HD1  LEU  38          3HD1      LEU  38   1.957  -5.476  -2.243
  329   1HD2  LEU  38          1HD2      LEU  38  -0.990  -8.055  -1.663
  330   2HD2  LEU  38          2HD2      LEU  38  -1.377  -7.043  -0.270
  331   3HD2  LEU  38          3HD2      LEU  38  -1.433  -6.365  -1.896
  332    H    ILE  39           H        ILE  39  -1.066  -9.293   1.469
  333    HA   ILE  39           HA       ILE  39  -1.761  -6.888   2.621
  334    HB   ILE  39           HB       ILE  39  -2.908  -9.208   2.763
  335   1HG1  ILE  39          2HG1      ILE  39  -3.827  -7.154   3.801
  336   2HG1  ILE  39          3HG1      ILE  39  -4.141  -8.580   4.784
  337   1HG2  ILE  39          1HG2      ILE  39  -1.354  -9.364   5.352
  338   2HG2  ILE  39          2HG2      ILE  39  -2.439 -10.571   4.666
  339   3HG2  ILE  39          3HG2      ILE  39  -0.888 -10.245   3.897
  340   1HD1  ILE  39          1HD1      ILE  39  -3.349  -7.200   6.439
  341   2HD1  ILE  39          2HD1      ILE  39  -1.805  -7.843   5.887
  342   3HD1  ILE  39          3HD1      ILE  39  -2.352  -6.261   5.330
  343    H    GLY  40           H        GLY  40   0.618  -9.239   3.690
  344   1HA   GLY  40          1HA       GLY  40   1.566  -7.396   5.788
  345   2HA   GLY  40          2HA       GLY  40   1.916  -9.122   5.710
  346    H    ARG  41           H        ARG  41   2.802  -5.973   4.604
  347    HA   ARG  41           HA       ARG  41   5.417  -6.842   3.816
  348   1HB   ARG  41          2HB       ARG  41   3.776  -7.372   1.829
  349   2HB   ARG  41          3HB       ARG  41   3.883  -5.637   1.537
  350   1HG   ARG  41          2HG       ARG  41   6.293  -5.753   1.327
  351   2HG   ARG  41          3HG       ARG  41   6.299  -7.447   1.819
  352   1HD   ARG  41          2HD       ARG  41   4.935  -6.372  -0.664
  353   2HD   ARG  41          3HD       ARG  41   6.495  -7.185  -0.646
  354    HE   ARG  41           HE       ARG  41   4.286  -8.679   0.533
  355   1HH1  ARG  41          1HH2      ARG  41   6.985  -9.030  -1.346
  356   2HH1  ARG  41          2HH2      ARG  41   6.274 -10.053  -2.548
  357   1HH2  ARG  41          1HH1      ARG  41   3.033  -9.573  -1.425
  358   2HH2  ARG  41          2HH1      ARG  41   4.043 -10.363  -2.589
  359    H    LEU  42           H        LEU  42   6.829  -5.127   3.465
  360    HA   LEU  42           HA       LEU  42   5.951  -2.612   4.638
  361   1HB   LEU  42          2HB       LEU  42   8.198  -4.049   4.966
  362   2HB   LEU  42          3HB       LEU  42   8.738  -2.983   3.670
  363    HG   LEU  42           HG       LEU  42   7.735  -1.075   5.127
  364   1HD1  LEU  42          1HD1      LEU  42   8.336  -2.926   7.410
  365   2HD1  LEU  42          2HD1      LEU  42   7.322  -1.485   7.381
  366   3HD1  LEU  42          3HD1      LEU  42   6.739  -2.989   6.668
  367   1HD2  LEU  42          1HD2      LEU  42  10.248  -2.640   5.724
  368   2HD2  LEU  42          2HD2      LEU  42  10.086  -1.128   4.829
  369   3HD2  LEU  42          3HD2      LEU  42   9.879  -1.142   6.581
  370    H    VAL  43           H        VAL  43   5.362  -0.900   3.488
  371    HA   VAL  43           HA       VAL  43   5.956  -0.766   0.607
  372    HB   VAL  43           HB       VAL  43   4.383   1.288   0.813
  373   1HG1  VAL  43          1HG1      VAL  43   2.380  -0.424   1.143
  374   2HG1  VAL  43          2HG1      VAL  43   3.411  -0.505  -0.288
  375   3HG1  VAL  43          3HG1      VAL  43   3.680  -1.615   1.057
  376   1HG2  VAL  43          1HG2      VAL  43   3.792  -0.130   3.431
  377   2HG2  VAL  43          2HG2      VAL  43   4.510   1.472   3.277
  378   3HG2  VAL  43          3HG2      VAL  43   2.852   1.195   2.747
  379    H    LEU  44           H        LEU  44   7.867   0.134   0.146
  380    HA   LEU  44           HA       LEU  44   8.806   2.405   1.791
  381   1HB   LEU  44          2HB       LEU  44  10.314   0.546  -0.060
  382   2HB   LEU  44          3HB       LEU  44  11.026   1.937   0.752
  383    HG   LEU  44           HG       LEU  44  10.162   0.906   2.938
  384   1HD1  LEU  44          1HD1      LEU  44   8.724  -0.815   2.533
  385   2HD1  LEU  44          2HD1      LEU  44   9.421  -1.166   0.952
  386   3HD1  LEU  44          3HD1      LEU  44  10.201  -1.769   2.417
  387   1HD2  LEU  44          1HD2      LEU  44  12.405   0.583   2.991
  388   2HD2  LEU  44          2HD2      LEU  44  12.070  -1.061   2.444
  389   3HD2  LEU  44          3HD2      LEU  44  12.469   0.197   1.273
  390    H    TRP  45           H        TRP  45   7.967   4.174   0.953
  391    HA   TRP  45           HA       TRP  45   7.829   4.609  -1.931
  392   1HB   TRP  45          2HB       TRP  45   5.867   5.247  -0.755
  393   2HB   TRP  45          3HB       TRP  45   6.787   6.074   0.494
  394    HD1  TRP  45           HD1      TRP  45   6.246   6.394  -3.332
  395    HE1  TRP  45           HE1      TRP  45   6.137   8.906  -3.908
  396    HE3  TRP  45           HE3      TRP  45   7.126   8.393   1.280
  397    HZ2  TRP  45           HZ2      TRP  45   6.418  11.429  -2.588
  398    HZ3  TRP  45           HZ3      TRP  45   7.199  10.848   1.595
  399    HH2  TRP  45           HH2      TRP  45   6.846  12.368  -0.332
  400    H    LYS  46           H        LYS  46   9.359   5.615  -3.014
  401    HA   LYS  46           HA       LYS  46  11.563   6.915  -1.644
  402   1HB   LYS  46          2HB       LYS  46  11.513   5.350  -3.820
  403   2HB   LYS  46          3HB       LYS  46  11.354   6.913  -4.619
  404   1HG   LYS  46          2HG       LYS  46  13.350   7.677  -3.213
  405   2HG   LYS  46          3HG       LYS  46  13.577   5.979  -2.794
  406   1HD   LYS  46          2HD       LYS  46  13.489   5.569  -5.366
  407   2HD   LYS  46          3HD       LYS  46  13.805   7.297  -5.495
  408   1HE   LYS  46          2HE       LYS  46  15.572   5.122  -4.430
  409   2HE   LYS  46          3HE       LYS  46  15.976   6.472  -5.489
  410   1HZ   LYS  46          1HZ       LYS  46  15.830   7.975  -3.666
  411   2HZ   LYS  46          2HZ       LYS  46  16.842   6.692  -3.198
  412   3HZ   LYS  46          3HZ       LYS  46  15.243   6.771  -2.631
  413    H    SER  47           H        SER  47  10.634   8.820  -0.802
  414    HA   SER  47           HA       SER  47   9.069  10.628  -2.283
  415   1HB   SER  47          2HB       SER  47   9.224  12.035  -0.454
  416   2HB   SER  47          3HB       SER  47   9.626  10.491   0.287
  417    HG   SER  47           HG       SER  47  11.327  12.594  -0.520
  418    HA   PRO  48           HA       PRO  48  11.985  12.847  -4.719
  419   1HB   PRO  48          2HB       PRO  48  11.095  15.508  -4.047
  420   2HB   PRO  48          3HB       PRO  48  10.661  14.531  -5.458
  421   1HG   PRO  48          2HG       PRO  48   8.941  15.232  -3.428
  422   2HG   PRO  48          3HG       PRO  48   8.706  13.880  -4.544
  423   1HD   PRO  48          2HD       PRO  48   9.678  13.837  -1.713
  424   2HD   PRO  48          3HD       PRO  48   8.688  12.644  -2.589
  425    H    SER  49           H        SER  49  11.703  14.117  -1.429
  426    HA   SER  49           HA       SER  49  14.287  15.450  -1.563
  427   1HB   SER  49          2HB       SER  49  12.488  15.005   0.826
  428   2HB   SER  49          3HB       SER  49  13.839  16.131   0.719
  429    HG   SER  49           HG       SER  49  12.333  17.454   0.061
  430    H    GLY  50           H        GLY  50  14.114  12.517  -1.950
  431   1HA   GLY  50          1HA       GLY  50  15.351  10.659  -1.391
  432   2HA   GLY  50          2HA       GLY  50  16.386  11.737  -0.462
  433    H    LYS  51           H        LYS  51  13.288  12.180   0.632
  434    HA   LYS  51           HA       LYS  51  13.825  10.822   3.105
  435   1HB   LYS  51          2HB       LYS  51  12.497  13.018   2.722
  436   2HB   LYS  51          3HB       LYS  51  11.147  11.959   2.323
  437   1HG   LYS  51          2HG       LYS  51  11.229  10.907   4.493
  438   2HG   LYS  51          3HG       LYS  51  12.739  11.730   4.891
  439   1HD   LYS  51          2HD       LYS  51  11.505  13.925   4.649
  440   2HD   LYS  51          3HD       LYS  51  10.012  12.995   4.511
  441   1HE   LYS  51          2HE       LYS  51  10.496  11.945   6.718
  442   2HE   LYS  51          3HE       LYS  51  11.929  12.965   6.863
  443   1HZ   LYS  51          1HZ       LYS  51  10.525  14.378   7.845
  444   2HZ   LYS  51          2HZ       LYS  51   9.141  13.637   7.198
  445   3HZ   LYS  51          3HZ       LYS  51  10.022  14.758   6.273
  446    H    ILE  52           H        ILE  52  13.961   8.637   2.666
  447    HA   ILE  52           HA       ILE  52  11.816   7.255   1.285
  448    HB   ILE  52           HB       ILE  52  13.946   5.865   2.878
  449   1HG1  ILE  52          2HG1      ILE  52  15.205   7.605   1.753
  450   2HG1  ILE  52          3HG1      ILE  52  15.448   6.103   0.863
  451   1HG2  ILE  52          1HG2      ILE  52  12.204   4.576   1.675
  452   2HG2  ILE  52          2HG2      ILE  52  12.690   5.350   0.165
  453   3HG2  ILE  52          3HG2      ILE  52  13.810   4.281   1.009
  454   1HD1  ILE  52          1HD1      ILE  52  13.526   6.842  -0.652
  455   2HD1  ILE  52          2HD1      ILE  52  13.637   8.421   0.123
  456   3HD1  ILE  52          3HD1      ILE  52  15.008   7.787  -0.787
  457    H    LEU  53           H        LEU  53   9.930   6.953   2.304
  458    HA   LEU  53           HA       LEU  53   9.948   6.548   5.228
  459   1HB   LEU  53          2HB       LEU  53   7.614   7.147   3.405
  460   2HB   LEU  53          3HB       LEU  53   7.582   7.100   5.167
  461    HG   LEU  53           HG       LEU  53   9.142   9.042   3.434
  462   1HD1  LEU  53          1HD1      LEU  53   6.776   9.288   5.302
  463   2HD1  LEU  53          2HD1      LEU  53   7.715  10.681   4.768
  464   3HD1  LEU  53          3HD1      LEU  53   6.848   9.698   3.588
  465   1HD2  LEU  53          1HD2      LEU  53   9.258   8.392   6.372
  466   2HD2  LEU  53          2HD2      LEU  53  10.583   8.740   5.258
  467   3HD2  LEU  53          3HD2      LEU  53   9.548  10.046   5.835
  468    H    LYS  54           H        LYS  54   9.702   4.628   6.042
  469    HA   LYS  54           HA       LYS  54   8.839   2.395   4.368
  470   1HB   LYS  54          2HB       LYS  54   9.730   2.056   7.201
  471   2HB   LYS  54          3HB       LYS  54  10.035   1.042   5.795
  472   1HG   LYS  54          2HG       LYS  54  11.440   3.020   4.902
  473   2HG   LYS  54          3HG       LYS  54  11.385   3.627   6.554
  474   1HD   LYS  54          2HD       LYS  54  12.171   1.213   7.199
  475   2HD   LYS  54          3HD       LYS  54  12.675   1.118   5.512
  476   1HE   LYS  54          2HE       LYS  54  14.072   3.098   5.770
  477   2HE   LYS  54          3HE       LYS  54  13.491   3.331   7.419
  478   1HZ   LYS  54          1HZ       LYS  54  15.717   2.131   7.040
  479   2HZ   LYS  54          2HZ       LYS  54  14.758   0.790   6.633
  480   3HZ   LYS  54          3HZ       LYS  54  14.631   1.493   8.174
  481    H    GLY  55           H        GLY  55   6.630   2.378   4.284
  482   1HA   GLY  55          1HA       GLY  55   5.110   2.608   6.801
  483   2HA   GLY  55          2HA       GLY  55   4.436   2.739   5.182
  484    H    LYS  56           H        LYS  56   2.899   1.126   6.353
  485    HA   LYS  56           HA       LYS  56   3.629  -1.521   5.409
  486   1HB   LYS  56          2HB       LYS  56   4.414  -1.162   7.892
  487   2HB   LYS  56          3HB       LYS  56   2.703  -1.408   8.255
  488   1HG   LYS  56          2HG       LYS  56   2.721  -3.558   7.114
  489   2HG   LYS  56          3HG       LYS  56   4.384  -3.305   6.586
  490   1HD   LYS  56          2HD       LYS  56   5.151  -3.303   8.914
  491   2HD   LYS  56          3HD       LYS  56   3.490  -3.480   9.482
  492   1HE   LYS  56          2HE       LYS  56   4.513  -5.673   9.499
  493   2HE   LYS  56          3HE       LYS  56   3.347  -5.628   8.175
  494   1HZ   LYS  56          1HZ       LYS  56   5.025  -6.272   6.889
  495   2HZ   LYS  56          2HZ       LYS  56   6.186  -5.961   8.090
  496   3HZ   LYS  56          3HZ       LYS  56   5.665  -4.710   7.066
  497    H    ILE  57           H        ILE  57   1.922  -2.715   4.808
  498    HA   ILE  57           HA       ILE  57  -0.677  -1.477   4.681
  499    HB   ILE  57           HB       ILE  57   0.312  -4.235   3.893
  500   1HG1  ILE  57          2HG1      ILE  57  -0.449  -1.851   2.178
  501   2HG1  ILE  57          3HG1      ILE  57   1.208  -2.216   2.658
  502   1HG2  ILE  57          1HG2      ILE  57  -2.131  -4.208   4.400
  503   2HG2  ILE  57          2HG2      ILE  57  -2.331  -2.887   3.252
  504   3HG2  ILE  57          3HG2      ILE  57  -1.807  -4.471   2.689
  505   1HD1  ILE  57          1HD1      ILE  57   0.523  -3.102   0.376
  506   2HD1  ILE  57          2HD1      ILE  57   1.183  -4.308   1.480
  507   3HD1  ILE  57          3HD1      ILE  57  -0.559  -4.210   1.217
  508    H    VAL  58           H        VAL  58  -2.418  -1.852   5.980
  509    HA   VAL  58           HA       VAL  58  -1.979  -3.610   8.293
  510    HB   VAL  58           HB       VAL  58  -4.190  -2.394   9.032
  511   1HG1  VAL  58          1HG1      VAL  58  -1.901  -2.157  10.025
  512   2HG1  VAL  58          2HG1      VAL  58  -1.564  -0.883   8.852
  513   3HG1  VAL  58          3HG1      VAL  58  -2.830  -0.658  10.061
  514   1HG2  VAL  58          1HG2      VAL  58  -3.080  -0.233   7.245
  515   2HG2  VAL  58          2HG2      VAL  58  -4.287  -1.354   6.620
  516   3HG2  VAL  58          3HG2      VAL  58  -4.668  -0.336   8.007
  517    H    ARG  59           H        ARG  59  -4.539  -2.890   5.893
  518    HA   ARG  59           HA       ARG  59  -5.262  -5.711   5.837
  519   1HB   ARG  59          2HB       ARG  59  -7.581  -3.892   6.273
  520   2HB   ARG  59          3HB       ARG  59  -7.383  -5.590   6.701
  521   1HG   ARG  59          2HG       ARG  59  -5.925  -4.990   8.568
  522   2HG   ARG  59          3HG       ARG  59  -5.987  -3.289   8.102
  523   1HD   ARG  59          2HD       ARG  59  -7.559  -3.758   9.945
  524   2HD   ARG  59          3HD       ARG  59  -8.414  -3.255   8.490
  525    HE   ARG  59           HE       ARG  59  -8.118  -6.136   8.841
  526   1HH1  ARG  59          1HH2      ARG  59  -9.818  -4.097  10.764
  527   2HH1  ARG  59          2HH2      ARG  59 -11.405  -4.599  10.283
  528   1HH2  ARG  59          1HH1      ARG  59 -10.278  -6.456   7.570
  529   2HH2  ARG  59          2HH1      ARG  59 -11.667  -5.947   8.471
  530    H    VAL  60           H        VAL  60  -6.610  -6.271   4.065
  531    HA   VAL  60           HA       VAL  60  -6.187  -4.660   1.733
  532    HB   VAL  60           HB       VAL  60  -6.350  -7.239   1.909
  533   1HG1  VAL  60          1HG1      VAL  60  -8.643  -7.042   3.061
  534   2HG1  VAL  60          2HG1      VAL  60  -9.283  -6.686   1.458
  535   3HG1  VAL  60          3HG1      VAL  60  -8.499  -8.232   1.769
  536   1HG2  VAL  60          1HG2      VAL  60  -7.683  -7.206  -0.389
  537   2HG2  VAL  60          2HG2      VAL  60  -7.504  -5.460  -0.210
  538   3HG2  VAL  60          3HG2      VAL  60  -6.076  -6.492  -0.268
  539    H    HIS  61           H        HIS  61  -7.895  -3.844   0.329
  540    HA   HIS  61           HA       HIS  61 -10.459  -3.288   1.659
  541   1HB   HIS  61          2HB       HIS  61  -9.025  -1.346   2.130
  542   2HB   HIS  61          3HB       HIS  61  -8.700  -1.161   0.407
  543    HD1  HIS  61           HD1      HIS  61  -9.917   1.045   0.035
  544    HD2  HIS  61           HD2      HIS  61 -12.330  -1.834   1.843
  545    HE1  HIS  61           HE1      HIS  61 -12.273   1.972   0.019
  546    H    GLY  62           H        GLY  62 -12.172  -3.349   0.319
  547   1HA   GLY  62          1HA       GLY  62 -13.406  -3.405  -1.631
  548   2HA   GLY  62          2HA       GLY  62 -11.990  -2.808  -2.490
  549    H    THR  63           H        THR  63 -10.551  -5.212  -1.097
  550    HA   THR  63           HA       THR  63  -9.815  -7.280  -1.746
  551    HB   THR  63           HB       THR  63 -11.520  -8.972  -2.252
  552    HG1  THR  63           HG1      THR  63 -13.292  -8.368  -3.142
  553   1HG2  THR  63          1HG2      THR  63 -12.796  -8.763  -0.173
  554   2HG2  THR  63          2HG2      THR  63 -11.125  -8.267   0.089
  555   3HG2  THR  63          3HG2      THR  63 -12.390  -7.050  -0.076
  556    H    LYS  64           H        LYS  64  -8.937  -8.322  -3.510
  557    HA   LYS  64           HA       LYS  64  -8.227  -8.545  -5.684
  558   1HB   LYS  64          2HB       LYS  64 -10.397  -9.539  -6.039
  559   2HB   LYS  64          3HB       LYS  64 -11.170  -7.962  -6.114
  560   1HG   LYS  64          2HG       LYS  64 -10.443  -7.548  -8.255
  561   2HG   LYS  64          3HG       LYS  64  -8.974  -8.502  -8.060
  562   1HD   LYS  64          2HD       LYS  64 -10.424  -9.706  -9.570
  563   2HD   LYS  64          3HD       LYS  64 -10.419 -10.572  -8.035
  564   1HE   LYS  64          2HE       LYS  64 -12.703 -10.485  -8.476
  565   2HE   LYS  64          3HE       LYS  64 -12.501  -9.022  -7.511
  566   1HZ   LYS  64          1HZ       LYS  64 -12.634  -9.230 -10.465
  567   2HZ   LYS  64          2HZ       LYS  64 -12.167  -7.815  -9.651
  568   3HZ   LYS  64          3HZ       LYS  64 -13.729  -8.447  -9.436
  569    H    GLY  65           H        GLY  65  -8.450  -5.759  -4.291
  570   1HA   GLY  65          1HA       GLY  65  -7.665  -4.267  -6.664
  571   2HA   GLY  65          2HA       GLY  65  -9.017  -3.656  -5.729
  572    H    ALA  66           H        ALA  66  -8.431  -2.036  -4.593
  573    HA   ALA  66           HA       ALA  66  -5.778  -1.402  -3.813
  574   1HB   ALA  66          1HB       ALA  66  -7.557   0.263  -4.272
  575   2HB   ALA  66          2HB       ALA  66  -8.373  -0.243  -2.794
  576   3HB   ALA  66          3HB       ALA  66  -6.779   0.505  -2.709
  577    H    VAL  67           H        VAL  67  -5.581  -0.550  -1.389
  578    HA   VAL  67           HA       VAL  67  -6.612  -2.432   0.583
  579    HB   VAL  67           HB       VAL  67  -4.461  -3.239   1.303
  580   1HG1  VAL  67          1HG1      VAL  67  -5.517  -4.390  -0.671
  581   2HG1  VAL  67          2HG1      VAL  67  -4.480  -3.426  -1.724
  582   3HG1  VAL  67          3HG1      VAL  67  -3.767  -4.572  -0.590
  583   1HG2  VAL  67          1HG2      VAL  67  -2.434  -2.570  -0.217
  584   2HG2  VAL  67          2HG2      VAL  67  -3.432  -1.181  -0.645
  585   3HG2  VAL  67          3HG2      VAL  67  -2.965  -1.450   1.036
  586    H    ARG  68           H        ARG  68  -5.879  -1.832   2.791
  587    HA   ARG  68           HA       ARG  68  -5.716   1.079   3.046
  588   1HB   ARG  68          2HB       ARG  68  -7.356  -0.208   4.397
  589   2HB   ARG  68          3HB       ARG  68  -6.019  -1.061   5.170
  590   1HG   ARG  68          2HG       ARG  68  -5.147   1.036   6.069
  591   2HG   ARG  68          3HG       ARG  68  -6.390   1.948   5.216
  592   1HD   ARG  68          2HD       ARG  68  -8.115   1.123   6.592
  593   2HD   ARG  68          3HD       ARG  68  -7.140  -0.231   7.154
  594    HE   ARG  68           HE       ARG  68  -6.044   2.334   7.890
  595   1HH1  ARG  68          1HH2      ARG  68  -9.000   0.915   8.629
  596   2HH1  ARG  68          2HH2      ARG  68  -8.739   0.821  10.339
  597   1HH2  ARG  68          1HH1      ARG  68  -5.399   1.748  10.142
  598   2HH2  ARG  68          2HH1      ARG  68  -6.696   1.293  11.197
  599    H    ALA  69           H        ALA  69  -4.086   2.100   4.381
  600    HA   ALA  69           HA       ALA  69  -1.757   0.481   5.102
  601   1HB   ALA  69          1HB       ALA  69  -1.101   0.967   2.894
  602   2HB   ALA  69          2HB       ALA  69  -1.748   2.604   2.968
  603   3HB   ALA  69          3HB       ALA  69  -0.287   2.193   3.865
  604    H    ARG  70           H        ARG  70  -0.229   1.599   6.432
  605    HA   ARG  70           HA       ARG  70  -0.967   4.236   7.438
  606   1HB   ARG  70          2HB       ARG  70  -2.124   2.232   8.748
  607   2HB   ARG  70          3HB       ARG  70  -0.540   2.136   9.521
  608   1HG   ARG  70          2HG       ARG  70  -0.786   4.721   9.805
  609   2HG   ARG  70          3HG       ARG  70  -2.501   4.426   9.516
  610   1HD   ARG  70          2HD       ARG  70  -0.788   3.256  11.722
  611   2HD   ARG  70          3HD       ARG  70  -2.146   4.363  11.900
  612    HE   ARG  70           HE       ARG  70  -2.946   1.955  10.581
  613   1HH1  ARG  70          1HH2      ARG  70  -1.531   2.626  13.611
  614   2HH1  ARG  70          2HH2      ARG  70  -2.748   1.818  14.539
  615   1HH2  ARG  70          1HH1      ARG  70  -4.794   1.189  11.817
  616   2HH2  ARG  70          2HH1      ARG  70  -4.589   1.004  13.527
  617    H    PHE  71           H        PHE  71   0.847   5.366   7.578
  618    HA   PHE  71           HA       PHE  71   3.419   3.961   7.781
  619   1HB   PHE  71          2HB       PHE  71   2.583   6.705   6.868
  620   2HB   PHE  71          3HB       PHE  71   4.254   6.389   7.321
  621    HD1  PHE  71           HD1      PHE  71   1.613   4.484   5.427
  622    HD2  PHE  71           HD2      PHE  71   5.622   6.031   5.481
  623    HE1  PHE  71           HE1      PHE  71   2.032   3.484   3.198
  624    HE2  PHE  71           HE2      PHE  71   6.038   5.029   3.253
  625    HZ   PHE  71           HZ       PHE  71   4.242   3.754   2.112
  626    H    GLU  72           H        GLU  72   3.953   3.593   9.868
  627    HA   GLU  72           HA       GLU  72   3.115   4.906  12.140
  628   1HB   GLU  72          2HB       GLU  72   5.212   4.060  13.202
  629   2HB   GLU  72          3HB       GLU  72   4.360   2.831  12.269
  630   1HG   GLU  72          2HG       GLU  72   5.868   3.344  10.326
  631   2HG   GLU  72          3HG       GLU  72   6.779   4.425  11.375
  632    H    LYS  73           H        LYS  73   5.451   5.937   9.783
  633    HA   LYS  73           HA       LYS  73   6.611   7.997  11.453
  634   1HB   LYS  73          2HB       LYS  73   6.896   7.136   8.590
  635   2HB   LYS  73          3HB       LYS  73   7.531   8.696   9.109
  636   1HG   LYS  73          2HG       LYS  73   8.786   7.513  10.935
  637   2HG   LYS  73          3HG       LYS  73   8.248   5.980  10.249
  638   1HD   LYS  73          2HD       LYS  73   9.408   6.403   8.182
  639   2HD   LYS  73          3HD       LYS  73   9.765   8.065   8.659
  640   1HE   LYS  73          2HE       LYS  73  10.912   6.849  10.733
  641   2HE   LYS  73          3HE       LYS  73  11.021   5.514   9.588
  642   1HZ   LYS  73          1HZ       LYS  73  11.772   7.829   8.239
  643   2HZ   LYS  73          2HZ       LYS  73  12.753   6.510   8.676
  644   3HZ   LYS  73          3HZ       LYS  73  12.594   7.839   9.723
  645    H    GLY  74           H        GLY  74   5.227   8.399   8.217
  646   1HA   GLY  74          1HA       GLY  74   3.012   9.656   8.134
  647   2HA   GLY  74          2HA       GLY  74   3.822  10.822   9.172
  648    H    LEU  75           H        LEU  75   2.725  10.843   6.308
  649    HA   LEU  75           HA       LEU  75   5.139  11.572   4.807
  650   1HB   LEU  75          2HB       LEU  75   2.471  11.892   3.556
  651   2HB   LEU  75          3HB       LEU  75   3.952  11.199   2.897
  652    HG   LEU  75           HG       LEU  75   2.165   9.831   4.936
  653   1HD1  LEU  75          1HD1      LEU  75   2.550   8.966   2.080
  654   2HD1  LEU  75          2HD1      LEU  75   1.237   8.574   3.190
  655   3HD1  LEU  75          3HD1      LEU  75   1.338  10.184   2.476
  656   1HD2  LEU  75          1HD2      LEU  75   4.349   8.966   5.218
  657   2HD2  LEU  75          2HD2      LEU  75   3.599   7.838   4.090
  658   3HD2  LEU  75          3HD2      LEU  75   4.707   9.073   3.494
  659    HA   PRO  76           HA       PRO  76   4.823  15.906   5.459
  660   1HB   PRO  76          2HB       PRO  76   5.084  16.646   2.687
  661   2HB   PRO  76          3HB       PRO  76   6.317  16.683   3.953
  662   1HG   PRO  76          2HG       PRO  76   5.989  14.813   1.794
  663   2HG   PRO  76          3HG       PRO  76   7.325  14.976   2.938
  664   1HD   PRO  76          2HD       PRO  76   5.445  12.881   2.863
  665   2HD   PRO  76          3HD       PRO  76   6.586  13.221   4.179
  666    H    GLY  77           H        GLY  77   3.545  15.833   2.165
  667   1HA   GLY  77          1HA       GLY  77   0.807  15.777   2.621
  668   2HA   GLY  77          2HA       GLY  77   1.297  17.458   2.806
  669    H    GLN  78           H        GLN  78   3.468  16.113   0.739
  670    HA   GLN  78           HA       GLN  78   2.090  17.225  -1.607
  671   1HB   GLN  78          2HB       GLN  78   4.261  17.366  -2.622
  672   2HB   GLN  78          3HB       GLN  78   4.422  17.965  -0.973
  673   1HG   GLN  78          2HG       GLN  78   6.252  16.515  -1.137
  674   2HG   GLN  78          3HG       GLN  78   5.031  15.484  -0.395
  675   1HE2  GLN  78          2HE2      GLN  78   5.203  16.455  -3.850
  676   2HE2  GLN  78          1HE2      GLN  78   5.412  14.876  -4.437
  677    H    ALA  79           H        ALA  79   3.115  14.232  -0.229
  678    HA   ALA  79           HA       ALA  79   3.053  12.755  -2.724
  679   1HB   ALA  79          1HB       ALA  79   4.037  11.077  -1.558
  680   2HB   ALA  79          2HB       ALA  79   4.347  12.344  -0.370
  681   3HB   ALA  79          3HB       ALA  79   2.964  11.269  -0.172
  682    H    LEU  80           H        LEU  80   0.639  14.132  -2.216
  683    HA   LEU  80           HA       LEU  80  -1.330  12.387  -1.082
  684   1HB   LEU  80          2HB       LEU  80  -1.462  14.937  -1.370
  685   2HB   LEU  80          3HB       LEU  80  -1.863  14.608  -3.054
  686    HG   LEU  80           HG       LEU  80  -3.617  12.935  -1.945
  687   1HD1  LEU  80          1HD1      LEU  80  -2.692  13.568   0.363
  688   2HD1  LEU  80          2HD1      LEU  80  -3.486  15.126   0.135
  689   3HD1  LEU  80          3HD1      LEU  80  -4.443  13.645   0.171
  690   1HD2  LEU  80          1HD2      LEU  80  -5.278  14.809  -1.998
  691   2HD2  LEU  80          2HD2      LEU  80  -3.937  15.946  -2.135
  692   3HD2  LEU  80          3HD2      LEU  80  -4.236  14.774  -3.419
  693    H    GLY  81           H        GLY  81   0.180  12.700  -4.191
  694   1HA   GLY  81          1HA       GLY  81  -1.541  10.531  -5.211
  695   2HA   GLY  81          2HA       GLY  81  -1.261  11.961  -6.196
  696    H    ASP  82           H        ASP  82   1.438  11.055  -4.261
  697    HA   ASP  82           HA       ASP  82   3.009  10.463  -6.578
  698   1HB   ASP  82          2HB       ASP  82   3.825  11.548  -4.434
  699   2HB   ASP  82          3HB       ASP  82   3.737   9.957  -3.687
  700    H    TYR  83           H        TYR  83   3.783   8.493  -7.270
  701    HA   TYR  83           HA       TYR  83   2.174   6.201  -6.742
  702   1HB   TYR  83          2HB       TYR  83   4.604   6.819  -8.366
  703   2HB   TYR  83          3HB       TYR  83   4.237   5.127  -8.033
  704    HD1  TYR  83           HD1      TYR  83   3.409   4.296 -10.099
  705    HD2  TYR  83           HD2      TYR  83   1.870   7.985  -8.518
  706    HE1  TYR  83           HE1      TYR  83   1.663   4.325 -11.860
  707    HE2  TYR  83           HE2      TYR  83   0.124   8.012 -10.279
  708    HH   TYR  83           HH       TYR  83  -0.181   5.331 -12.605
  709    H    VAL  84           H        VAL  84   2.481   4.554  -5.322
  710    HA   VAL  84           HA       VAL  84   4.792   4.780  -3.518
  711    HB   VAL  84           HB       VAL  84   3.561   3.252  -2.042
  712   1HG1  VAL  84          1HG1      VAL  84   2.200   5.729  -3.075
  713   2HG1  VAL  84          2HG1      VAL  84   1.456   4.776  -1.790
  714   3HG1  VAL  84          3HG1      VAL  84   3.053   5.485  -1.551
  715   1HG2  VAL  84          1HG2      VAL  84   1.649   3.191  -4.375
  716   2HG2  VAL  84          2HG2      VAL  84   2.332   1.836  -3.476
  717   3HG2  VAL  84          3HG2      VAL  84   1.095   2.852  -2.738
  718    H    GLU  85           H        GLU  85   5.987   2.868  -2.949
  719    HA   GLU  85           HA       GLU  85   5.757   0.587  -4.755
  720   1HB   GLU  85          2HB       GLU  85   8.438   1.941  -4.472
  721   2HB   GLU  85          3HB       GLU  85   7.951   0.710  -5.627
  722   1HG   GLU  85          2HG       GLU  85   7.925   2.621  -6.950
  723   2HG   GLU  85          3HG       GLU  85   6.245   2.520  -6.452
  724    H    ILE  86           H        ILE  86   6.937  -1.243  -4.030
  725    HA   ILE  86           HA       ILE  86   7.516  -1.128  -1.144
  726    HB   ILE  86           HB       ILE  86   7.048  -3.523  -2.951
  727   1HG1  ILE  86          2HG1      ILE  86   4.959  -3.511  -1.232
  728   2HG1  ILE  86          3HG1      ILE  86   5.248  -1.775  -1.338
  729   1HG2  ILE  86          1HG2      ILE  86   6.598  -4.072  -0.191
  730   2HG2  ILE  86          2HG2      ILE  86   7.842  -4.748  -1.242
  731   3HG2  ILE  86          3HG2      ILE  86   8.169  -3.281  -0.319
  732   1HD1  ILE  86          1HD1      ILE  86   4.566  -3.700  -3.566
  733   2HD1  ILE  86          2HD1      ILE  86   3.716  -2.229  -3.092
  734   3HD1  ILE  86          3HD1      ILE  86   5.280  -2.122  -3.898
  735    H    VAL  87           H        VAL  87   9.537   0.045  -1.849
  736    HA   VAL  87           HA       VAL  87  11.518  -1.686  -3.132
  737    HB   VAL  87           HB       VAL  87  12.277   0.978  -2.019
  738   1HG1  VAL  87          1HG1      VAL  87  13.684   1.031  -3.933
  739   2HG1  VAL  87          2HG1      VAL  87  13.729  -0.651  -3.410
  740   3HG1  VAL  87          3HG1      VAL  87  12.721  -0.181  -4.776
  741   1HG2  VAL  87          1HG2      VAL  87  10.528   0.607  -4.478
  742   2HG2  VAL  87          2HG2      VAL  87  10.020   1.371  -2.975
  743   3HG2  VAL  87          3HG2      VAL  87  11.270   2.122  -3.963
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  12.285  -7.356 -11.536
    2   2H    MET   1          2HT       MET   1  10.987  -6.276 -11.732
    3   3H    MET   1          3HT       MET   1  11.023  -7.333 -10.403
    4    HA   MET   1           HA       MET   1  13.253  -6.152  -9.868
    5   1HB   MET   1          2HB       MET   1  11.766  -3.940 -11.303
    6   2HB   MET   1          3HB       MET   1  13.409  -3.907 -10.658
    7   1HG   MET   1          2HG       MET   1  12.437  -5.584 -12.993
    8   2HG   MET   1          3HG       MET   1  13.484  -4.167 -13.092
    9   1HE   MET   1          1HE       MET   1  14.261  -6.421 -14.544
   10   2HE   MET   1          2HE       MET   1  13.731  -7.800 -13.583
   11   3HE   MET   1          3HE       MET   1  15.448  -7.563 -13.898
   12    H    ARG   2           H        ARG   2  11.973  -3.369  -9.308
   13    HA   ARG   2           HA       ARG   2  10.644  -4.215  -6.867
   14   1HB   ARG   2          2HB       ARG   2  10.622  -1.815  -6.312
   15   2HB   ARG   2          3HB       ARG   2  12.235  -2.351  -6.781
   16   1HG   ARG   2          2HG       ARG   2  11.984  -1.401  -8.990
   17   2HG   ARG   2          3HG       ARG   2  10.282  -1.042  -8.699
   18   1HD   ARG   2          2HD       ARG   2  10.805   0.637  -7.091
   19   2HD   ARG   2          3HD       ARG   2  12.480   0.109  -6.973
   20    HE   ARG   2           HE       ARG   2  11.573   1.111  -9.576
   21   1HH1  ARG   2          1HH1      ARG   2  11.636   3.392  -7.621
   22   2HH1  ARG   2          2HH1      ARG   2  13.267   3.958  -7.759
   23   1HH2  ARG   2          1HH2      ARG   2  14.412   1.090  -9.330
   24   2HH2  ARG   2          2HH2      ARG   2  14.836   2.657  -8.727
   25    H    ILE   3           H        ILE   3   8.596  -3.113  -6.206
   26    HA   ILE   3           HA       ILE   3   6.693  -3.202  -8.459
   27    HB   ILE   3           HB       ILE   3   6.059  -3.262  -5.500
   28   1HG1  ILE   3          2HG1      ILE   3   5.673  -5.816  -6.345
   29   2HG1  ILE   3          3HG1      ILE   3   7.050  -5.370  -7.354
   30   1HG2  ILE   3          1HG2      ILE   3   3.995  -4.447  -6.457
   31   2HG2  ILE   3          2HG2      ILE   3   4.113  -2.719  -6.775
   32   3HG2  ILE   3          3HG2      ILE   3   4.526  -3.875  -8.039
   33   1HD1  ILE   3          1HD1      ILE   3   8.151  -6.124  -5.456
   34   2HD1  ILE   3          2HD1      ILE   3   7.991  -4.412  -5.067
   35   3HD1  ILE   3          3HD1      ILE   3   6.870  -5.583  -4.370
   36    H    LYS   4           H        LYS   4   4.835  -1.662  -8.352
   37    HA   LYS   4           HA       LYS   4   5.373   0.843  -6.957
   38   1HB   LYS   4          2HB       LYS   4   4.982   2.026  -9.264
   39   2HB   LYS   4          3HB       LYS   4   6.592   1.449  -8.833
   40   1HG   LYS   4          2HG       LYS   4   6.495  -0.345 -10.306
   41   2HG   LYS   4          3HG       LYS   4   4.734  -0.429 -10.255
   42   1HD   LYS   4          2HD       LYS   4   5.409   0.437 -12.425
   43   2HD   LYS   4          3HD       LYS   4   4.643   1.737 -11.509
   44   1HE   LYS   4          2HE       LYS   4   6.842   2.614 -10.871
   45   2HE   LYS   4          3HE       LYS   4   7.638   1.285 -11.715
   46   1HZ   LYS   4          1HZ       LYS   4   5.722   2.906 -13.215
   47   2HZ   LYS   4          2HZ       LYS   4   7.148   2.147 -13.740
   48   3HZ   LYS   4          3HZ       LYS   4   7.229   3.599 -12.864
   49    H    GLY   5           H        GLY   5   3.527   1.183  -5.981
   50   1HA   GLY   5          1HA       GLY   5   0.964   0.639  -7.322
   51   2HA   GLY   5          2HA       GLY   5   1.192   0.896  -5.592
   52    H    VAL   6           H        VAL   6  -0.751   2.394  -6.316
   53    HA   VAL   6           HA       VAL   6   0.391   5.093  -6.578
   54    HB   VAL   6           HB       VAL   6  -2.004   4.177  -8.186
   55   1HG1  VAL   6          1HG1      VAL   6  -1.618   6.398  -9.307
   56   2HG1  VAL   6          2HG1      VAL   6  -2.107   6.532  -7.619
   57   3HG1  VAL   6          3HG1      VAL   6  -0.416   6.759  -8.068
   58   1HG2  VAL   6          1HG2      VAL   6   0.004   3.151  -9.108
   59   2HG2  VAL   6          2HG2      VAL   6  -0.466   4.497 -10.144
   60   3HG2  VAL   6          3HG2      VAL   6   0.872   4.682  -9.011
   61    H    VAL   7           H        VAL   7  -0.521   6.542  -5.265
   62    HA   VAL   7           HA       VAL   7  -2.557   5.688  -3.391
   63    HB   VAL   7           HB       VAL   7  -0.964   8.234  -3.748
   64   1HG1  VAL   7          1HG1      VAL   7  -3.179   7.591  -1.783
   65   2HG1  VAL   7          2HG1      VAL   7  -1.982   8.855  -1.498
   66   3HG1  VAL   7          3HG1      VAL   7  -3.075   8.971  -2.877
   67   1HG2  VAL   7          1HG2      VAL   7   0.107   7.528  -1.692
   68   2HG2  VAL   7          2HG2      VAL   7  -1.039   6.203  -1.495
   69   3HG2  VAL   7          3HG2      VAL   7   0.132   6.167  -2.813
   70    H    LEU   8           H        LEU   8  -4.621   6.644  -3.143
   71    HA   LEU   8           HA       LEU   8  -5.551   8.236  -5.454
   72   1HB   LEU   8          2HB       LEU   8  -7.814   6.915  -4.659
   73   2HB   LEU   8          3HB       LEU   8  -6.787   6.432  -6.006
   74    HG   LEU   8           HG       LEU   8  -6.070   5.496  -3.244
   75   1HD1  LEU   8          1HD1      LEU   8  -8.170   4.206  -5.014
   76   2HD1  LEU   8          2HD1      LEU   8  -7.548   3.553  -3.498
   77   3HD1  LEU   8          3HD1      LEU   8  -8.500   5.039  -3.494
   78   1HD2  LEU   8          1HD2      LEU   8  -4.796   5.148  -5.536
   79   2HD2  LEU   8          2HD2      LEU   8  -4.932   3.810  -4.395
   80   3HD2  LEU   8          3HD2      LEU   8  -6.010   3.893  -5.787
   81    H    SER   9           H        SER   9  -5.562   7.775  -2.004
   82    HA   SER   9           HA       SER   9  -6.656  10.402  -1.612
   83   1HB   SER   9          2HB       SER   9  -8.768   9.308  -2.003
   84   2HB   SER   9          3HB       SER   9  -8.357   8.008  -0.887
   85    HG   SER   9           HG       SER   9  -8.272   9.615   0.770
   86    H    TYR  10           H        TYR  10  -6.420  11.186   0.448
   87    HA   TYR  10           HA       TYR  10  -4.807   9.514   2.273
   88   1HB   TYR  10          2HB       TYR  10  -4.012  11.818   1.244
   89   2HB   TYR  10          3HB       TYR  10  -5.008  12.493   2.535
   90    HD1  TYR  10           HD1      TYR  10  -2.159  10.198   1.827
   91    HD2  TYR  10           HD2      TYR  10  -4.299  12.428   4.813
   92    HE1  TYR  10           HE1      TYR  10  -0.360   9.730   3.470
   93    HE2  TYR  10           HE2      TYR  10  -2.502  11.960   6.453
   94    HH   TYR  10           HH       TYR  10  -0.230   9.599   6.059
   95    H    ARG  11           H        ARG  11  -5.135   9.980   4.622
   96    HA   ARG  11           HA       ARG  11  -7.722  11.078   5.378
   97   1HB   ARG  11          2HB       ARG  11  -8.419   8.843   4.850
   98   2HB   ARG  11          3HB       ARG  11  -7.052   8.146   5.721
   99   1HG   ARG  11          2HG       ARG  11  -7.970   8.594   7.805
  100   2HG   ARG  11          3HG       ARG  11  -8.908   9.965   7.213
  101   1HD   ARG  11          2HD       ARG  11 -10.088   7.661   7.806
  102   2HD   ARG  11          3HD       ARG  11 -10.635   8.637   6.448
  103    HE   ARG  11           HE       ARG  11  -8.639   6.852   5.544
  104   1HH1  ARG  11          1HH1      ARG  11 -10.405   5.148   7.419
  105   2HH1  ARG  11          2HH1      ARG  11 -11.537   4.488   6.288
  106   1HH2  ARG  11          1HH2      ARG  11 -10.752   6.741   3.775
  107   2HH2  ARG  11          2HH2      ARG  11 -11.734   5.387   4.228
  108    H    ARG  12           H        ARG  12  -7.130  12.413   6.936
  109    HA   ARG  12           HA       ARG  12  -4.844  11.957   8.628
  110   1HB   ARG  12          2HB       ARG  12  -5.725  14.079   9.761
  111   2HB   ARG  12          3HB       ARG  12  -5.267  14.228   8.065
  112   1HG   ARG  12          2HG       ARG  12  -7.481  14.337   7.333
  113   2HG   ARG  12          3HG       ARG  12  -8.103  13.523   8.770
  114   1HD   ARG  12          2HD       ARG  12  -6.737  16.163   9.113
  115   2HD   ARG  12          3HD       ARG  12  -8.375  16.147   8.467
  116    HE   ARG  12           HE       ARG  12  -8.075  14.547  10.852
  117   1HH1  ARG  12          1HH1      ARG  12  -8.079  17.843   9.871
  118   2HH1  ARG  12          2HH1      ARG  12  -9.131  18.375  11.139
  119   1HH2  ARG  12          1HH2      ARG  12  -9.687  15.190  12.384
  120   2HH2  ARG  12          2HH2      ARG  12 -10.033  16.878  12.563
  121    H    SER  13           H        SER  13  -6.102   9.790   9.121
  122    HA   SER  13           HA       SER  13  -6.939   8.453  10.783
  123   1HB   SER  13          2HB       SER  13  -6.299   9.062  12.853
  124   2HB   SER  13          3HB       SER  13  -5.720  10.557  12.129
  125    HG   SER  13           HG       SER  13  -7.974  10.051  13.655
  126    H    LYS  14           H        LYS  14  -8.895   8.258  12.307
  127    HA   LYS  14           HA       LYS  14 -11.116  10.003  11.954
  128   1HB   LYS  14          2HB       LYS  14 -10.878   8.849   9.664
  129   2HB   LYS  14          3HB       LYS  14 -11.414   7.384  10.485
  130   1HG   LYS  14          2HG       LYS  14 -13.307   9.060  11.387
  131   2HG   LYS  14          3HG       LYS  14 -12.928   9.883   9.875
  132   1HD   LYS  14          2HD       LYS  14 -13.248   7.704   8.671
  133   2HD   LYS  14          3HD       LYS  14 -13.780   6.989  10.192
  134   1HE   LYS  14          2HE       LYS  14 -15.119   9.146   8.565
  135   2HE   LYS  14          3HE       LYS  14 -15.796   7.624   9.144
  136   1HZ   LYS  14          1HZ       LYS  14 -15.135  10.042  10.720
  137   2HZ   LYS  14          2HZ       LYS  14 -15.420   8.531  11.447
  138   3HZ   LYS  14          3HZ       LYS  14 -16.645   9.287  10.546
  139    H    GLU  15           H        GLU  15 -10.030   9.032  14.214
  140    HA   GLU  15           HA       GLU  15 -12.228   7.630  15.416
  141   1HB   GLU  15          2HB       GLU  15 -10.585   5.871  14.300
  142   2HB   GLU  15          3HB       GLU  15  -9.639   6.171  15.758
  143   1HG   GLU  15          2HG       GLU  15 -11.723   5.727  17.107
  144   2HG   GLU  15          3HG       GLU  15 -12.518   5.233  15.613
  145    H    ASN  16           H        ASN  16  -8.729   8.073  16.003
  146    HA   ASN  16           HA       ASN  16  -9.243   9.975  18.136
  147   1HB   ASN  16          2HB       ASN  16  -7.807   7.396  18.804
  148   2HB   ASN  16          3HB       ASN  16  -8.188   8.718  19.903
  149   1HD2  ASN  16          2HD2      ASN  16 -10.597   9.133  20.259
  150   2HD2  ASN  16          1HD2      ASN  16 -11.654   7.808  20.177
  151    H    GLN  17           H        GLN  17  -6.757   9.878  19.370
  152    HA   GLN  17           HA       GLN  17  -4.766  11.041  19.042
  153   1HB   GLN  17          2HB       GLN  17  -4.525   8.517  17.397
  154   2HB   GLN  17          3HB       GLN  17  -3.158   9.588  17.709
  155   1HG   GLN  17          2HG       GLN  17  -4.881   8.393  19.896
  156   2HG   GLN  17          3HG       GLN  17  -3.375   7.669  19.340
  157   1HE2  GLN  17          2HE2      GLN  17  -1.961  10.222  18.922
  158   2HE2  GLN  17          1HE2      GLN  17  -1.664  10.866  20.464
  159    H    HIS  18           H        HIS  18  -3.952   9.867  15.987
  160    HA   HIS  18           HA       HIS  18  -5.220  11.730  14.275
  161   1HB   HIS  18          2HB       HIS  18  -3.579  13.169  15.762
  162   2HB   HIS  18          3HB       HIS  18  -2.340  12.475  14.718
  163    HD1  HIS  18           HD1      HIS  18  -5.853  13.712  13.872
  164    HD2  HIS  18           HD2      HIS  18  -1.887  14.422  12.805
  165    HE1  HIS  18           HE1      HIS  18  -5.910  15.410  11.993
  166    H    ASN  19           H        ASN  19  -4.275   8.965  14.675
  167    HA   ASN  19           HA       ASN  19  -2.152   8.059  13.325
  168   1HB   ASN  19          2HB       ASN  19  -4.962   7.061  13.495
  169   2HB   ASN  19          3HB       ASN  19  -3.838   6.234  12.419
  170   1HD2  ASN  19          2HD2      ASN  19  -2.460   7.754  15.253
  171   2HD2  ASN  19          1HD2      ASN  19  -2.207   6.325  16.132
  172    H    ASN  20           H        ASN  20  -1.277   8.401  11.388
  173    HA   ASN  20           HA       ASN  20  -2.793   9.710   9.298
  174   1HB   ASN  20          2HB       ASN  20  -0.094   8.676   8.662
  175   2HB   ASN  20          3HB       ASN  20  -0.778  10.278   8.408
  176   1HD2  ASN  20          2HD2      ASN  20  -1.514  10.894  11.122
  177   2HD2  ASN  20          1HD2      ASN  20  -0.089  11.025  12.034
  178    H    VAL  21           H        VAL  21  -4.236   8.428   8.296
  179    HA   VAL  21           HA       VAL  21  -3.353   5.769   7.347
  180    HB   VAL  21           HB       VAL  21  -6.187   6.812   7.587
  181   1HG1  VAL  21          1HG1      VAL  21  -6.213   5.016   6.071
  182   2HG1  VAL  21          2HG1      VAL  21  -4.915   4.167   6.908
  183   3HG1  VAL  21          3HG1      VAL  21  -6.531   4.222   7.613
  184   1HG2  VAL  21          1HG2      VAL  21  -6.354   5.579   9.656
  185   2HG2  VAL  21          2HG2      VAL  21  -4.730   4.919   9.457
  186   3HG2  VAL  21          3HG2      VAL  21  -4.951   6.637   9.792
  187    H    MET  22           H        MET  22  -3.638   5.200   5.186
  188    HA   MET  22           HA       MET  22  -4.766   7.151   3.338
  189   1HB   MET  22          2HB       MET  22  -2.733   7.239   1.948
  190   2HB   MET  22          3HB       MET  22  -2.454   7.911   3.554
  191   1HG   MET  22          2HG       MET  22  -0.802   6.427   3.913
  192   2HG   MET  22          3HG       MET  22  -1.914   5.087   3.634
  193   1HE   MET  22          1HE       MET  22   1.185   6.954   2.342
  194   2HE   MET  22          2HE       MET  22  -0.171   7.984   1.891
  195   3HE   MET  22          3HE       MET  22   0.805   7.225   0.636
  196    H    ILE  23           H        ILE  23  -5.325   6.294   1.330
  197    HA   ILE  23           HA       ILE  23  -5.512   3.370   1.272
  198    HB   ILE  23           HB       ILE  23  -6.690   5.251  -0.765
  199   1HG1  ILE  23          2HG1      ILE  23  -7.422   6.162   1.351
  200   2HG1  ILE  23          3HG1      ILE  23  -8.758   5.223   0.687
  201   1HG2  ILE  23          1HG2      ILE  23  -7.505   2.539   0.328
  202   2HG2  ILE  23          2HG2      ILE  23  -8.388   3.447  -0.897
  203   3HG2  ILE  23          3HG2      ILE  23  -6.769   2.846  -1.244
  204   1HD1  ILE  23          1HD1      ILE  23  -7.693   3.260   2.091
  205   2HD1  ILE  23          2HD1      ILE  23  -6.963   4.579   3.005
  206   3HD1  ILE  23          3HD1      ILE  23  -8.717   4.454   2.887
  207    H    ILE  24           H        ILE  24  -4.585   2.094  -0.280
  208    HA   ILE  24           HA       ILE  24  -2.889   3.423  -2.302
  209    HB   ILE  24           HB       ILE  24  -2.141   1.113  -0.495
  210   1HG1  ILE  24          2HG1      ILE  24  -0.789   3.792  -0.941
  211   2HG1  ILE  24          3HG1      ILE  24  -1.932   3.488   0.365
  212   1HG2  ILE  24          1HG2      ILE  24  -0.864   2.202  -3.010
  213   2HG2  ILE  24          2HG2      ILE  24   0.078   1.340  -1.794
  214   3HG2  ILE  24          3HG2      ILE  24  -1.251   0.526  -2.617
  215   1HD1  ILE  24          1HD1      ILE  24   0.676   2.017  -0.100
  216   2HD1  ILE  24          2HD1      ILE  24   0.352   3.181   1.184
  217   3HD1  ILE  24          3HD1      ILE  24  -0.487   1.631   1.170
  218    H    LYS  25           H        LYS  25  -2.448   2.173  -4.176
  219    HA   LYS  25           HA       LYS  25  -4.148  -0.194  -4.595
  220   1HB   LYS  25          2HB       LYS  25  -5.337   1.802  -5.475
  221   2HB   LYS  25          3HB       LYS  25  -3.954   2.141  -6.515
  222   1HG   LYS  25          2HG       LYS  25  -4.457  -0.515  -7.071
  223   2HG   LYS  25          3HG       LYS  25  -6.079   0.124  -6.818
  224   1HD   LYS  25          2HD       LYS  25  -4.010   1.317  -8.692
  225   2HD   LYS  25          3HD       LYS  25  -5.372   0.315  -9.191
  226   1HE   LYS  25          2HE       LYS  25  -6.541   2.245  -9.368
  227   2HE   LYS  25          3HE       LYS  25  -6.559   2.272  -7.605
  228   1HZ   LYS  25          1HZ       LYS  25  -4.965   3.826  -9.469
  229   2HZ   LYS  25          2HZ       LYS  25  -4.152   3.280  -8.082
  230   3HZ   LYS  25          3HZ       LYS  25  -5.547   4.239  -7.930
  231    HA   PRO  26           HA       PRO  26   0.059  -1.164  -6.002
  232   1HB   PRO  26          2HB       PRO  26  -0.695  -3.944  -5.981
  233   2HB   PRO  26          3HB       PRO  26   0.393  -3.095  -4.878
  234   1HG   PRO  26          2HG       PRO  26  -2.159  -4.098  -4.298
  235   2HG   PRO  26          3HG       PRO  26  -1.162  -3.056  -3.278
  236   1HD   PRO  26          2HD       PRO  26  -3.561  -2.376  -4.817
  237   2HD   PRO  26          3HD       PRO  26  -2.753  -1.455  -3.531
  238    H    LEU  27           H        LEU  27  -0.559  -0.191  -8.020
  239    HA   LEU  27           HA       LEU  27  -1.323  -0.114 -10.191
  240   1HB   LEU  27          2HB       LEU  27   1.073  -1.281  -9.878
  241   2HB   LEU  27          3HB       LEU  27   0.227  -2.566 -10.722
  242    HG   LEU  27           HG       LEU  27  -0.578  -0.628 -12.307
  243   1HD1  LEU  27          1HD1      LEU  27   2.068   0.577 -11.594
  244   2HD1  LEU  27          2HD1      LEU  27   0.650   1.337 -12.317
  245   3HD1  LEU  27          3HD1      LEU  27   0.675   0.979 -10.590
  246   1HD2  LEU  27          1HD2      LEU  27   1.503  -0.926 -13.672
  247   2HD2  LEU  27          2HD2      LEU  27   2.252  -1.722 -12.288
  248   3HD2  LEU  27          3HD2      LEU  27   0.846  -2.448 -13.069
  249    H    ASP  28           H        ASP  28  -1.018  -3.656 -10.103
  250    HA   ASP  28           HA       ASP  28  -3.772  -3.779 -11.122
  251   1HB   ASP  28          2HB       ASP  28  -3.167  -6.207 -11.618
  252   2HB   ASP  28          3HB       ASP  28  -2.382  -4.964 -12.589
  253    H    VAL  29           H        VAL  29  -2.128  -6.405  -9.404
  254    HA   VAL  29           HA       VAL  29  -2.997  -7.803  -7.780
  255    HB   VAL  29           HB       VAL  29  -3.226  -5.047  -6.541
  256   1HG1  VAL  29          1HG1      VAL  29  -4.183  -7.670  -5.549
  257   2HG1  VAL  29          2HG1      VAL  29  -3.145  -6.793  -4.427
  258   3HG1  VAL  29          3HG1      VAL  29  -4.623  -6.044  -5.029
  259   1HG2  VAL  29          1HG2      VAL  29  -1.237  -5.876  -5.277
  260   2HG2  VAL  29          2HG2      VAL  29  -1.301  -7.373  -6.205
  261   3HG2  VAL  29          3HG2      VAL  29  -0.955  -5.846  -7.018
  262    H    ASN  30           H        ASN  30  -4.690  -7.826  -9.654
  263    HA   ASN  30           HA       ASN  30  -7.317  -6.868  -8.837
  264   1HB   ASN  30          2HB       ASN  30  -7.947  -7.897 -11.085
  265   2HB   ASN  30          3HB       ASN  30  -6.826  -6.544 -11.133
  266   1HD2  ASN  30          2HD2      ASN  30  -4.838  -6.903 -12.159
  267   2HD2  ASN  30          1HD2      ASN  30  -4.262  -8.432 -12.619
  268    H    SER  31           H        SER  31  -6.246  -8.763  -7.094
  269    HA   SER  31           HA       SER  31  -8.305 -10.792  -7.184
  270   1HB   SER  31          2HB       SER  31  -5.415 -11.439  -7.653
  271   2HB   SER  31          3HB       SER  31  -6.449 -12.590  -6.811
  272    HG   SER  31           HG       SER  31  -7.469 -11.447  -9.127
  273    H    ARG  32           H        ARG  32  -9.031 -11.030  -5.182
  274    HA   ARG  32           HA       ARG  32  -7.857  -9.795  -2.943
  275   1HB   ARG  32          2HB       ARG  32 -10.222 -10.317  -2.922
  276   2HB   ARG  32          3HB       ARG  32  -9.889 -12.037  -3.121
  277   1HG   ARG  32          2HG       ARG  32  -8.973 -12.226  -0.934
  278   2HG   ARG  32          3HG       ARG  32  -8.813 -10.478  -0.763
  279   1HD   ARG  32          2HD       ARG  32 -11.120 -10.171  -0.442
  280   2HD   ARG  32          3HD       ARG  32 -11.525 -11.719  -1.176
  281    HE   ARG  32           HE       ARG  32 -11.601 -12.348   1.071
  282   1HH1  ARG  32          1HH1      ARG  32  -9.769  -9.698   1.520
  283   2HH1  ARG  32          2HH1      ARG  32  -8.559 -10.413   2.532
  284   1HH2  ARG  32          1HH2      ARG  32  -9.574 -13.666   1.911
  285   2HH2  ARG  32          2HH2      ARG  32  -8.449 -12.654   2.754
  286    H    GLU  33           H        GLU  33  -7.394 -12.876  -4.452
  287    HA   GLU  33           HA       GLU  33  -6.214 -14.305  -2.329
  288   1HB   GLU  33          2HB       GLU  33  -5.935 -14.447  -5.330
  289   2HB   GLU  33          3HB       GLU  33  -5.025 -15.514  -4.266
  290   1HG   GLU  33          2HG       GLU  33  -8.038 -15.223  -4.177
  291   2HG   GLU  33          3HG       GLU  33  -7.206 -16.487  -5.076
  292    H    GLU  34           H        GLU  34  -4.786 -12.291  -4.891
  293    HA   GLU  34           HA       GLU  34  -2.117 -12.465  -3.845
  294   1HB   GLU  34          2HB       GLU  34  -3.492 -10.893  -5.997
  295   2HB   GLU  34          3HB       GLU  34  -1.900 -10.371  -5.442
  296   1HG   GLU  34          2HG       GLU  34  -0.898 -12.441  -6.048
  297   2HG   GLU  34          3HG       GLU  34  -2.461 -13.230  -6.246
  298    H    ALA  35           H        ALA  35  -4.674 -10.003  -3.813
  299    HA   ALA  35           HA       ALA  35  -3.303  -7.977  -2.452
  300   1HB   ALA  35          1HB       ALA  35  -5.709  -8.057  -3.539
  301   2HB   ALA  35          2HB       ALA  35  -6.214  -8.467  -1.900
  302   3HB   ALA  35          3HB       ALA  35  -5.371  -6.948  -2.212
  303    H    SER  36           H        SER  36  -5.592 -10.337  -1.024
  304    HA   SER  36           HA       SER  36  -5.075  -9.747   1.653
  305   1HB   SER  36          2HB       SER  36  -6.927 -11.213   0.771
  306   2HB   SER  36          3HB       SER  36  -5.734 -12.493   0.575
  307    HG   SER  36           HG       SER  36  -6.427 -11.136   2.975
  308    H    LYS  37           H        LYS  37  -3.397 -11.944  -0.555
  309    HA   LYS  37           HA       LYS  37  -1.688 -13.123   1.403
  310   1HB   LYS  37          2HB       LYS  37  -1.665 -12.969  -1.601
  311   2HB   LYS  37          3HB       LYS  37  -0.277 -13.622  -0.735
  312   1HG   LYS  37          2HG       LYS  37  -1.645 -15.313   0.324
  313   2HG   LYS  37          3HG       LYS  37  -3.117 -14.599  -0.328
  314   1HD   LYS  37          2HD       LYS  37  -2.774 -16.280  -1.886
  315   2HD   LYS  37          3HD       LYS  37  -1.857 -14.980  -2.647
  316   1HE   LYS  37          2HE       LYS  37   0.214 -15.826  -1.598
  317   2HE   LYS  37          3HE       LYS  37  -0.703 -17.125  -0.835
  318   1HZ   LYS  37          1HZ       LYS  37   0.114 -16.806  -3.608
  319   2HZ   LYS  37          2HZ       LYS  37  -1.441 -17.444  -3.359
  320   3HZ   LYS  37          3HZ       LYS  37  -0.085 -18.218  -2.690
  321    H    LEU  38           H        LEU  38  -1.668 -10.099  -0.244
  322    HA   LEU  38           HA       LEU  38   1.178  -9.646   0.147
  323   1HB   LEU  38          2HB       LEU  38   0.732  -8.420  -1.688
  324   2HB   LEU  38          3HB       LEU  38  -0.997  -8.434  -1.377
  325    HG   LEU  38           HG       LEU  38   0.757  -6.660   0.289
  326   1HD1  LEU  38          1HD1      LEU  38   1.513  -6.104  -1.916
  327   2HD1  LEU  38          2HD1      LEU  38  -0.134  -6.136  -2.548
  328   3HD1  LEU  38          3HD1      LEU  38   0.357  -4.861  -1.435
  329   1HD2  LEU  38          1HD2      LEU  38  -1.716  -7.003   0.716
  330   2HD2  LEU  38          2HD2      LEU  38  -1.254  -5.327   0.425
  331   3HD2  LEU  38          3HD2      LEU  38  -2.019  -6.265  -0.857
  332    H    ILE  39           H        ILE  39  -1.705  -9.264   1.954
  333    HA   ILE  39           HA       ILE  39  -1.249  -6.984   3.479
  334    HB   ILE  39           HB       ILE  39  -2.492  -9.634   4.232
  335   1HG1  ILE  39          2HG1      ILE  39  -3.715  -6.895   3.752
  336   2HG1  ILE  39          3HG1      ILE  39  -3.587  -8.141   2.509
  337   1HG2  ILE  39          1HG2      ILE  39  -3.464  -8.219   6.162
  338   2HG2  ILE  39          2HG2      ILE  39  -1.795  -8.759   6.326
  339   3HG2  ILE  39          3HG2      ILE  39  -2.139  -7.100   5.843
  340   1HD1  ILE  39          1HD1      ILE  39  -4.845  -9.689   4.077
  341   2HD1  ILE  39          2HD1      ILE  39  -5.142  -8.287   5.105
  342   3HD1  ILE  39          3HD1      ILE  39  -5.787  -8.330   3.465
  343    H    GLY  40           H        GLY  40   0.389  -6.386   4.711
  344   1HA   GLY  40          1HA       GLY  40   1.725  -6.814   6.707
  345   2HA   GLY  40          2HA       GLY  40   1.963  -8.458   6.124
  346    H    ARG  41           H        ARG  41   2.117  -6.762   3.387
  347    HA   ARG  41           HA       ARG  41   4.958  -6.950   3.171
  348   1HB   ARG  41          2HB       ARG  41   2.741  -5.981   1.408
  349   2HB   ARG  41          3HB       ARG  41   4.403  -5.558   0.996
  350   1HG   ARG  41          2HG       ARG  41   3.834  -8.404   1.718
  351   2HG   ARG  41          3HG       ARG  41   3.293  -7.836   0.140
  352   1HD   ARG  41          2HD       ARG  41   6.098  -7.268   1.066
  353   2HD   ARG  41          3HD       ARG  41   5.700  -8.836   0.372
  354    HE   ARG  41           HE       ARG  41   6.084  -6.431  -1.080
  355   1HH1  ARG  41          1HH2      ARG  41   6.099  -9.295  -2.171
  356   2HH1  ARG  41          2HH2      ARG  41   4.772  -9.241  -3.283
  357   1HH2  ARG  41          1HH1      ARG  41   3.454  -6.313  -1.974
  358   2HH2  ARG  41          2HH1      ARG  41   3.273  -7.550  -3.172
  359    H    LEU  42           H        LEU  42   6.426  -5.206   2.700
  360    HA   LEU  42           HA       LEU  42   5.777  -2.787   4.252
  361   1HB   LEU  42          2HB       LEU  42   7.819  -4.269   4.759
  362   2HB   LEU  42          3HB       LEU  42   8.516  -3.596   3.287
  363    HG   LEU  42           HG       LEU  42   7.728  -1.298   4.418
  364   1HD1  LEU  42          1HD1      LEU  42   8.403  -3.047   6.802
  365   2HD1  LEU  42          2HD1      LEU  42   7.945  -1.345   6.825
  366   3HD1  LEU  42          3HD1      LEU  42   6.760  -2.571   6.375
  367   1HD2  LEU  42          1HD2      LEU  42  10.218  -2.943   4.750
  368   2HD2  LEU  42          2HD2      LEU  42   9.986  -1.434   3.866
  369   3HD2  LEU  42          3HD2      LEU  42  10.085  -1.419   5.627
  370    H    VAL  43           H        VAL  43   5.342  -0.969   3.205
  371    HA   VAL  43           HA       VAL  43   5.958  -0.753   0.351
  372    HB   VAL  43           HB       VAL  43   4.488   1.228   0.410
  373   1HG1  VAL  43          1HG1      VAL  43   3.537  -1.057   0.106
  374   2HG1  VAL  43          2HG1      VAL  43   3.279  -1.157   1.847
  375   3HG1  VAL  43          3HG1      VAL  43   2.404   0.041   0.893
  376   1HG2  VAL  43          1HG2      VAL  43   4.671   0.717   3.364
  377   2HG2  VAL  43          2HG2      VAL  43   4.667   2.251   2.491
  378   3HG2  VAL  43          3HG2      VAL  43   3.164   1.361   2.716
  379    H    LEU  44           H        LEU  44   7.991  -0.092  -0.035
  380    HA   LEU  44           HA       LEU  44   9.142   2.015   1.674
  381   1HB   LEU  44          2HB       LEU  44  10.381  -0.172   1.265
  382   2HB   LEU  44          3HB       LEU  44  10.608   0.382  -0.393
  383    HG   LEU  44           HG       LEU  44  11.395   2.072   1.992
  384   1HD1  LEU  44          1HD1      LEU  44  12.562  -0.236   1.827
  385   2HD1  LEU  44          2HD1      LEU  44  13.322   0.410   0.371
  386   3HD1  LEU  44          3HD1      LEU  44  13.585   1.196   1.926
  387   1HD2  LEU  44          1HD2      LEU  44  13.039   2.820   0.030
  388   2HD2  LEU  44          2HD2      LEU  44  11.748   2.179  -0.983
  389   3HD2  LEU  44          3HD2      LEU  44  11.412   3.487   0.152
  390    H    TRP  45           H        TRP  45   8.517   3.894   0.952
  391    HA   TRP  45           HA       TRP  45   8.485   4.568  -1.907
  392   1HB   TRP  45          2HB       TRP  45   6.530   5.180  -0.578
  393   2HB   TRP  45          3HB       TRP  45   7.547   6.014   0.587
  394    HD1  TRP  45           HD1      TRP  45   6.373   6.296  -3.074
  395    HE1  TRP  45           HE1      TRP  45   6.454   8.787  -3.758
  396    HE3  TRP  45           HE3      TRP  45   8.567   8.275   1.090
  397    HZ2  TRP  45           HZ2      TRP  45   7.364  11.281  -2.680
  398    HZ3  TRP  45           HZ3      TRP  45   9.028  10.704   1.238
  399    HH2  TRP  45           HH2      TRP  45   8.429  12.208  -0.639
  400    H    LYS  46           H        LYS  46  10.518   5.036  -2.599
  401    HA   LYS  46           HA       LYS  46  12.460   6.322  -0.891
  402   1HB   LYS  46          2HB       LYS  46  13.153   4.597  -2.480
  403   2HB   LYS  46          3HB       LYS  46  12.566   5.577  -3.823
  404   1HG   LYS  46          2HG       LYS  46  14.289   7.233  -2.270
  405   2HG   LYS  46          3HG       LYS  46  15.118   5.696  -2.503
  406   1HD   LYS  46          2HD       LYS  46  13.781   7.112  -4.811
  407   2HD   LYS  46          3HD       LYS  46  15.429   7.507  -4.321
  408   1HE   LYS  46          2HE       LYS  46  16.133   5.200  -4.655
  409   2HE   LYS  46          3HE       LYS  46  14.475   4.713  -5.015
  410   1HZ   LYS  46          1HZ       LYS  46  15.460   5.006  -7.086
  411   2HZ   LYS  46          2HZ       LYS  46  16.285   6.415  -6.615
  412   3HZ   LYS  46          3HZ       LYS  46  14.603   6.450  -6.850
  413    H    SER  47           H        SER  47  12.003   8.400  -0.431
  414    HA   SER  47           HA       SER  47  10.797  10.273  -2.166
  415   1HB   SER  47          2HB       SER  47  11.049  10.453   0.356
  416   2HB   SER  47          3HB       SER  47  12.725  10.911   0.073
  417    HG   SER  47           HG       SER  47  10.799  12.545   0.149
  418    HA   PRO  48           HA       PRO  48  13.958  11.230  -5.098
  419   1HB   PRO  48          2HB       PRO  48  13.530  14.075  -4.921
  420   2HB   PRO  48          3HB       PRO  48  12.987  12.960  -6.182
  421   1HG   PRO  48          2HG       PRO  48  11.487  14.144  -4.002
  422   2HG   PRO  48          3HG       PRO  48  10.905  13.293  -5.437
  423   1HD   PRO  48          2HD       PRO  48  10.794  12.292  -2.854
  424   2HD   PRO  48          3HD       PRO  48  10.714  11.304  -4.327
  425    H    SER  49           H        SER  49  15.750  10.659  -3.797
  426    HA   SER  49           HA       SER  49  17.541  10.953  -2.358
  427   1HB   SER  49          2HB       SER  49  18.985  12.859  -3.086
  428   2HB   SER  49          3HB       SER  49  18.416  11.857  -4.419
  429    HG   SER  49           HG       SER  49  16.664  13.842  -3.834
  430    H    GLY  50           H        GLY  50  15.646  11.377  -0.701
  431   1HA   GLY  50          1HA       GLY  50  16.410  13.813   0.775
  432   2HA   GLY  50          2HA       GLY  50  14.702  13.487   0.490
  433    H    LYS  51           H        LYS  51  14.114  11.097   1.062
  434    HA   LYS  51           HA       LYS  51  15.547   9.863   3.217
  435   1HB   LYS  51          2HB       LYS  51  14.388  11.896   4.284
  436   2HB   LYS  51          3HB       LYS  51  12.876  11.038   3.987
  437   1HG   LYS  51          2HG       LYS  51  13.843   9.059   5.214
  438   2HG   LYS  51          3HG       LYS  51  15.222  10.070   5.646
  439   1HD   LYS  51          2HD       LYS  51  12.355  10.822   6.278
  440   2HD   LYS  51          3HD       LYS  51  13.397   9.949   7.402
  441   1HE   LYS  51          2HE       LYS  51  14.968  12.100   6.563
  442   2HE   LYS  51          3HE       LYS  51  13.358  12.795   6.749
  443   1HZ   LYS  51          1HZ       LYS  51  13.319  11.580   8.961
  444   2HZ   LYS  51          2HZ       LYS  51  14.325  12.944   8.850
  445   3HZ   LYS  51          3HZ       LYS  51  14.992  11.384   8.770
  446    H    ILE  52           H        ILE  52  15.121   7.752   3.078
  447    HA   ILE  52           HA       ILE  52  12.920   6.832   1.428
  448    HB   ILE  52           HB       ILE  52  15.326   5.579   2.696
  449   1HG1  ILE  52          2HG1      ILE  52  15.751   4.847   0.446
  450   2HG1  ILE  52          3HG1      ILE  52  14.100   5.213  -0.052
  451   1HG2  ILE  52          1HG2      ILE  52  14.308   3.350   1.791
  452   2HG2  ILE  52          2HG2      ILE  52  13.809   3.919   3.383
  453   3HG2  ILE  52          3HG2      ILE  52  12.759   4.168   1.989
  454   1HD1  ILE  52          1HD1      ILE  52  15.978   6.905  -0.668
  455   2HD1  ILE  52          2HD1      ILE  52  14.468   7.535  -0.009
  456   3HD1  ILE  52          3HD1      ILE  52  15.888   7.384   1.026
  457    H    LEU  53           H        LEU  53  10.961   6.858   2.324
  458    HA   LEU  53           HA       LEU  53  10.624   6.168   5.157
  459   1HB   LEU  53          2HB       LEU  53   8.643   7.185   3.102
  460   2HB   LEU  53          3HB       LEU  53   8.290   6.917   4.808
  461    HG   LEU  53           HG       LEU  53  10.512   8.747   3.864
  462   1HD1  LEU  53          1HD1      LEU  53   7.809   9.667   4.838
  463   2HD1  LEU  53          2HD1      LEU  53   9.051  10.596   3.997
  464   3HD1  LEU  53          3HD1      LEU  53   8.115   9.385   3.124
  465   1HD2  LEU  53          1HD2      LEU  53  10.834   8.116   6.141
  466   2HD2  LEU  53          2HD2      LEU  53  10.051   9.692   6.213
  467   3HD2  LEU  53          3HD2      LEU  53   9.112   8.227   6.496
  468    H    LYS  54           H        LYS  54   9.178   4.482   5.821
  469    HA   LYS  54           HA       LYS  54   8.216   2.639   3.798
  470   1HB   LYS  54          2HB       LYS  54   9.417   0.828   5.317
  471   2HB   LYS  54          3HB       LYS  54  10.229   1.573   3.947
  472   1HG   LYS  54          2HG       LYS  54  11.346   3.158   5.399
  473   2HG   LYS  54          3HG       LYS  54  10.406   2.616   6.790
  474   1HD   LYS  54          2HD       LYS  54  11.445   0.255   6.135
  475   2HD   LYS  54          3HD       LYS  54  12.688   1.264   5.393
  476   1HE   LYS  54          2HE       LYS  54  12.830   2.505   7.616
  477   2HE   LYS  54          3HE       LYS  54  11.825   1.224   8.297
  478   1HZ   LYS  54          1HZ       LYS  54  14.512   1.150   8.131
  479   2HZ   LYS  54          2HZ       LYS  54  14.062   0.275   6.746
  480   3HZ   LYS  54          3HZ       LYS  54  13.515  -0.215   8.277
  481    H    GLY  55           H        GLY  55   6.139   2.633   4.453
  482   1HA   GLY  55          1HA       GLY  55   5.465   2.403   7.293
  483   2HA   GLY  55          2HA       GLY  55   4.332   2.655   5.965
  484    H    LYS  56           H        LYS  56   3.052   0.901   6.920
  485    HA   LYS  56           HA       LYS  56   3.849  -1.676   5.814
  486   1HB   LYS  56          2HB       LYS  56   4.747  -1.547   8.198
  487   2HB   LYS  56          3HB       LYS  56   3.064  -1.531   8.728
  488   1HG   LYS  56          2HG       LYS  56   2.663  -3.673   7.600
  489   2HG   LYS  56          3HG       LYS  56   4.316  -3.680   6.988
  490   1HD   LYS  56          2HD       LYS  56   5.113  -3.600   9.388
  491   2HD   LYS  56          3HD       LYS  56   3.437  -3.842   9.885
  492   1HE   LYS  56          2HE       LYS  56   4.538  -6.004   9.840
  493   2HE   LYS  56          3HE       LYS  56   3.395  -5.938   8.500
  494   1HZ   LYS  56          1HZ       LYS  56   5.092  -5.632   6.968
  495   2HZ   LYS  56          2HZ       LYS  56   5.752  -6.772   8.042
  496   3HZ   LYS  56          3HZ       LYS  56   6.214  -5.140   8.141
  497    H    ILE  57           H        ILE  57   2.160  -2.657   4.938
  498    HA   ILE  57           HA       ILE  57  -0.440  -1.519   4.992
  499    HB   ILE  57           HB       ILE  57   0.292  -4.320   4.105
  500   1HG1  ILE  57          2HG1      ILE  57   0.442  -1.711   2.551
  501   2HG1  ILE  57          3HG1      ILE  57   1.832  -2.634   3.117
  502   1HG2  ILE  57          1HG2      ILE  57  -1.831  -2.383   3.129
  503   2HG2  ILE  57          2HG2      ILE  57  -1.614  -4.054   2.613
  504   3HG2  ILE  57          3HG2      ILE  57  -2.139  -3.701   4.258
  505   1HD1  ILE  57          1HD1      ILE  57   1.598  -3.359   0.897
  506   2HD1  ILE  57          2HD1      ILE  57   0.758  -4.616   1.804
  507   3HD1  ILE  57          3HD1      ILE  57  -0.162  -3.356   0.980
  508    H    VAL  58           H        VAL  58  -2.259  -2.090   6.112
  509    HA   VAL  58           HA       VAL  58  -1.840  -3.889   8.409
  510    HB   VAL  58           HB       VAL  58  -4.177  -2.706   8.996
  511   1HG1  VAL  58          1HG1      VAL  58  -2.807  -0.996  10.226
  512   2HG1  VAL  58          2HG1      VAL  58  -2.226  -2.648  10.431
  513   3HG1  VAL  58          3HG1      VAL  58  -1.395  -1.551   9.329
  514   1HG2  VAL  58          1HG2      VAL  58  -2.712  -0.494   7.551
  515   2HG2  VAL  58          2HG2      VAL  58  -3.947  -1.447   6.729
  516   3HG2  VAL  58          3HG2      VAL  58  -4.368  -0.503   8.157
  517    H    ARG  59           H        ARG  59  -4.274  -3.131   5.902
  518    HA   ARG  59           HA       ARG  59  -4.982  -5.930   5.709
  519   1HB   ARG  59          2HB       ARG  59  -7.485  -5.253   6.122
  520   2HB   ARG  59          3HB       ARG  59  -6.441  -5.636   7.490
  521   1HG   ARG  59          2HG       ARG  59  -6.231  -3.409   8.137
  522   2HG   ARG  59          3HG       ARG  59  -6.576  -2.798   6.520
  523   1HD   ARG  59          2HD       ARG  59  -8.411  -2.566   8.352
  524   2HD   ARG  59          3HD       ARG  59  -8.887  -3.121   6.752
  525    HE   ARG  59           HE       ARG  59  -8.478  -5.461   7.928
  526   1HH1  ARG  59          1HH1      ARG  59  -9.979  -2.584   9.154
  527   2HH1  ARG  59          2HH1      ARG  59 -11.027  -3.434  10.237
  528   1HH2  ARG  59          1HH2      ARG  59  -9.849  -6.572   9.342
  529   2HH2  ARG  59          2HH2      ARG  59 -10.956  -5.690  10.342
  530    H    VAL  60           H        VAL  60  -6.630  -6.325   4.066
  531    HA   VAL  60           HA       VAL  60  -6.203  -4.650   1.756
  532    HB   VAL  60           HB       VAL  60  -6.237  -7.082   1.533
  533   1HG1  VAL  60          1HG1      VAL  60  -7.879  -7.438   3.420
  534   2HG1  VAL  60          2HG1      VAL  60  -9.162  -6.948   2.316
  535   3HG1  VAL  60          3HG1      VAL  60  -8.211  -8.393   1.978
  536   1HG2  VAL  60          1HG2      VAL  60  -8.757  -6.035   0.226
  537   2HG2  VAL  60          2HG2      VAL  60  -7.152  -5.523  -0.297
  538   3HG2  VAL  60          3HG2      VAL  60  -7.615  -7.221  -0.401
  539    H    HIS  61           H        HIS  61  -7.886  -3.695   0.486
  540    HA   HIS  61           HA       HIS  61 -10.448  -3.238   1.857
  541   1HB   HIS  61          2HB       HIS  61  -8.871  -1.362   2.423
  542   2HB   HIS  61          3HB       HIS  61  -8.794  -0.983   0.701
  543    HD1  HIS  61           HD1      HIS  61 -12.109  -2.192   1.528
  544    HD2  HIS  61           HD2      HIS  61 -10.172   1.495   1.740
  545    HE1  HIS  61           HE1      HIS  61 -13.927  -0.438   1.721
  546    H    GLY  62           H        GLY  62 -12.119  -3.364   0.511
  547   1HA   GLY  62          1HA       GLY  62 -13.364  -3.138  -1.442
  548   2HA   GLY  62          2HA       GLY  62 -11.917  -2.581  -2.274
  549    H    THR  63           H        THR  63 -10.808  -5.209  -0.811
  550    HA   THR  63           HA       THR  63 -10.229  -7.316  -1.465
  551    HB   THR  63           HB       THR  63 -11.965  -8.797  -2.254
  552    HG1  THR  63           HG1      THR  63 -12.819  -7.347  -3.827
  553   1HG2  THR  63          1HG2      THR  63 -12.019  -7.777   0.117
  554   2HG2  THR  63          2HG2      THR  63 -13.383  -6.823  -0.471
  555   3HG2  THR  63          3HG2      THR  63 -13.478  -8.585  -0.459
  556    H    LYS  64           H        LYS  64  -9.104  -8.267  -3.076
  557    HA   LYS  64           HA       LYS  64  -7.879  -8.267  -5.026
  558   1HB   LYS  64          2HB       LYS  64  -9.212  -8.751  -7.008
  559   2HB   LYS  64          3HB       LYS  64  -9.887  -9.593  -5.618
  560   1HG   LYS  64          2HG       LYS  64 -11.691  -8.061  -5.427
  561   2HG   LYS  64          3HG       LYS  64 -10.917  -6.894  -6.498
  562   1HD   LYS  64          2HD       LYS  64 -11.390  -9.596  -7.637
  563   2HD   LYS  64          3HD       LYS  64 -12.826  -8.618  -7.339
  564   1HE   LYS  64          2HE       LYS  64 -10.403  -7.667  -8.899
  565   2HE   LYS  64          3HE       LYS  64 -11.880  -8.291  -9.632
  566   1HZ   LYS  64          1HZ       LYS  64 -13.115  -6.535  -8.475
  567   2HZ   LYS  64          2HZ       LYS  64 -11.956  -5.902  -9.543
  568   3HZ   LYS  64          3HZ       LYS  64 -11.659  -5.908  -7.872
  569    H    GLY  65           H        GLY  65  -8.294  -5.613  -3.888
  570   1HA   GLY  65          1HA       GLY  65  -7.723  -4.062  -6.286
  571   2HA   GLY  65          2HA       GLY  65  -9.066  -3.542  -5.283
  572    H    ALA  66           H        ALA  66  -8.540  -1.922  -4.108
  573    HA   ALA  66           HA       ALA  66  -5.899  -1.115  -3.477
  574   1HB   ALA  66          1HB       ALA  66  -7.274   0.428  -1.841
  575   2HB   ALA  66          2HB       ALA  66  -7.372   0.664  -3.585
  576   3HB   ALA  66          3HB       ALA  66  -8.650  -0.207  -2.742
  577    H    VAL  67           H        VAL  67  -5.531  -0.373  -1.078
  578    HA   VAL  67           HA       VAL  67  -6.290  -2.343   0.924
  579    HB   VAL  67           HB       VAL  67  -3.976  -2.972   1.454
  580   1HG1  VAL  67          1HG1      VAL  67  -4.483  -3.437  -1.497
  581   2HG1  VAL  67          2HG1      VAL  67  -3.574  -4.468  -0.393
  582   3HG1  VAL  67          3HG1      VAL  67  -5.321  -4.311  -0.214
  583   1HG2  VAL  67          1HG2      VAL  67  -3.382  -1.081  -0.816
  584   2HG2  VAL  67          2HG2      VAL  67  -2.625  -1.178   0.772
  585   3HG2  VAL  67          3HG2      VAL  67  -2.269  -2.398  -0.448
  586    H    ARG  68           H        ARG  68  -5.799  -1.637   3.053
  587    HA   ARG  68           HA       ARG  68  -5.434   1.253   3.256
  588   1HB   ARG  68          2HB       ARG  68  -7.245   0.039   4.512
  589   2HB   ARG  68          3HB       ARG  68  -5.983  -0.733   5.474
  590   1HG   ARG  68          2HG       ARG  68  -5.232   1.376   6.347
  591   2HG   ARG  68          3HG       ARG  68  -6.217   2.276   5.194
  592   1HD   ARG  68          2HD       ARG  68  -6.949   1.555   7.796
  593   2HD   ARG  68          3HD       ARG  68  -8.014   2.189   6.548
  594    HE   ARG  68           HE       ARG  68  -7.589  -0.694   6.478
  595   1HH1  ARG  68          1HH2      ARG  68  -8.878  -0.317   9.083
  596   2HH1  ARG  68          2HH2      ARG  68 -10.566  -0.246   8.703
  597   1HH2  ARG  68          1HH1      ARG  68 -10.056   0.374   5.330
  598   2HH2  ARG  68          2HH1      ARG  68 -11.232   0.136   6.577
  599    H    ALA  69           H        ALA  69  -3.842   2.249   4.491
  600    HA   ALA  69           HA       ALA  69  -1.689   0.634   5.635
  601   1HB   ALA  69          1HB       ALA  69  -1.169   2.688   3.469
  602   2HB   ALA  69          2HB       ALA  69   0.051   1.770   4.352
  603   3HB   ALA  69          3HB       ALA  69  -1.055   0.941   3.256
  604    H    ARG  70           H        ARG  70  -0.169   1.971   6.892
  605    HA   ARG  70           HA       ARG  70  -1.107   4.673   7.542
  606   1HB   ARG  70          2HB       ARG  70  -0.621   2.733   9.792
  607   2HB   ARG  70          3HB       ARG  70  -1.475   4.274   9.824
  608   1HG   ARG  70          2HG       ARG  70  -3.236   3.268   8.353
  609   2HG   ARG  70          3HG       ARG  70  -2.415   1.714   8.498
  610   1HD   ARG  70          2HD       ARG  70  -2.708   1.780  10.942
  611   2HD   ARG  70          3HD       ARG  70  -3.510   3.344  10.810
  612    HE   ARG  70           HE       ARG  70  -4.891   1.567   9.149
  613   1HH1  ARG  70          1HH1      ARG  70  -3.841   0.643  12.180
  614   2HH1  ARG  70          2HH1      ARG  70  -5.413   0.453  12.881
  615   1HH2  ARG  70          1HH2      ARG  70  -7.076   1.904  10.208
  616   2HH2  ARG  70          2HH2      ARG  70  -7.241   1.171  11.769
  617    H    PHE  71           H        PHE  71   0.592   5.959   7.562
  618    HA   PHE  71           HA       PHE  71   3.274   4.841   8.006
  619   1HB   PHE  71          2HB       PHE  71   2.324   7.491   6.888
  620   2HB   PHE  71          3HB       PHE  71   4.020   7.087   7.150
  621    HD1  PHE  71           HD1      PHE  71   5.216   6.073   5.409
  622    HD2  PHE  71           HD2      PHE  71   0.936   5.694   5.524
  623    HE1  PHE  71           HE1      PHE  71   5.259   4.897   3.225
  624    HE2  PHE  71           HE2      PHE  71   0.983   4.516   3.346
  625    HZ   PHE  71           HZ       PHE  71   3.142   4.119   2.193
  626    H    GLU  72           H        GLU  72   3.974   4.890  10.048
  627    HA   GLU  72           HA       GLU  72   2.855   6.559  12.064
  628   1HB   GLU  72          2HB       GLU  72   4.650   5.679  13.494
  629   2HB   GLU  72          3HB       GLU  72   3.882   4.381  12.579
  630   1HG   GLU  72          2HG       GLU  72   5.712   4.558  10.879
  631   2HG   GLU  72          3HG       GLU  72   6.507   5.746  11.910
  632    H    LYS  73           H        LYS  73   5.469   6.928   9.807
  633    HA   LYS  73           HA       LYS  73   6.693   9.137  11.235
  634   1HB   LYS  73          2HB       LYS  73   7.242   7.627   8.719
  635   2HB   LYS  73          3HB       LYS  73   7.892   9.261   8.861
  636   1HG   LYS  73          2HG       LYS  73   8.234   7.355  11.155
  637   2HG   LYS  73          3HG       LYS  73   9.286   7.198   9.748
  638   1HD   LYS  73          2HD       LYS  73  10.157   9.393  10.013
  639   2HD   LYS  73          3HD       LYS  73   8.867   9.857  11.124
  640   1HE   LYS  73          2HE       LYS  73  11.065   7.838  11.672
  641   2HE   LYS  73          3HE       LYS  73  10.920   9.445  12.386
  642   1HZ   LYS  73          1HZ       LYS  73   9.371   7.023  12.924
  643   2HZ   LYS  73          2HZ       LYS  73   8.565   8.517  13.035
  644   3HZ   LYS  73          3HZ       LYS  73   9.930   8.211  13.997
  645    H    GLY  74           H        GLY  74   5.812   9.076   7.820
  646   1HA   GLY  74          1HA       GLY  74   3.823  10.470   7.119
  647   2HA   GLY  74          2HA       GLY  74   4.515  11.721   8.150
  648    H    LEU  75           H        LEU  75   4.006  11.877   5.289
  649    HA   LEU  75           HA       LEU  75   6.644  11.760   4.042
  650   1HB   LEU  75          2HB       LEU  75   4.206  12.897   2.707
  651   2HB   LEU  75          3HB       LEU  75   5.563  12.027   1.993
  652    HG   LEU  75           HG       LEU  75   3.414  10.830   3.771
  653   1HD1  LEU  75          1HD1      LEU  75   4.035  10.094   0.916
  654   2HD1  LEU  75          2HD1      LEU  75   2.556   9.805   1.834
  655   3HD1  LEU  75          3HD1      LEU  75   2.948  11.434   1.282
  656   1HD2  LEU  75          1HD2      LEU  75   5.470   9.667   4.218
  657   2HD2  LEU  75          2HD2      LEU  75   4.568   8.662   3.084
  658   3HD2  LEU  75          3HD2      LEU  75   5.909   9.657   2.511
  659    HA   PRO  76           HA       PRO  76   7.677  15.987   4.648
  660   1HB   PRO  76          2HB       PRO  76   8.817  16.347   2.032
  661   2HB   PRO  76          3HB       PRO  76   9.654  16.058   3.562
  662   1HG   PRO  76          2HG       PRO  76   9.401  14.286   1.400
  663   2HG   PRO  76          3HG       PRO  76  10.060  13.937   3.002
  664   1HD   PRO  76          2HD       PRO  76   7.497  13.122   1.854
  665   2HD   PRO  76          3HD       PRO  76   8.304  12.540   3.322
  666    H    GLY  77           H        GLY  77   7.215  18.151   3.987
  667   1HA   GLY  77          1HA       GLY  77   5.479  19.644   3.467
  668   2HA   GLY  77          2HA       GLY  77   6.160  19.335   1.875
  669    H    GLN  78           H        GLN  78   5.036  18.117   0.402
  670    HA   GLN  78           HA       GLN  78   2.645  16.677   1.174
  671   1HB   GLN  78          2HB       GLN  78   1.828  19.011   1.013
  672   2HB   GLN  78          3HB       GLN  78   2.416  19.086  -0.648
  673   1HG   GLN  78          2HG       GLN  78   0.010  18.553  -0.600
  674   2HG   GLN  78          3HG       GLN  78   0.935  17.206  -1.260
  675   1HE2  GLN  78          2HE2      GLN  78   1.207  15.280   0.116
  676   2HE2  GLN  78          1HE2      GLN  78   0.193  15.021   1.453
  677    H    ALA  79           H        ALA  79   3.243  14.839   0.191
  678    HA   ALA  79           HA       ALA  79   3.978  14.948  -2.676
  679   1HB   ALA  79          1HB       ALA  79   4.926  12.626  -2.205
  680   2HB   ALA  79          2HB       ALA  79   5.786  13.972  -1.460
  681   3HB   ALA  79          3HB       ALA  79   4.693  12.981  -0.494
  682    H    LEU  80           H        LEU  80   1.310  15.149  -1.857
  683    HA   LEU  80           HA       LEU  80  -0.036  12.635  -1.824
  684   1HB   LEU  80          2HB       LEU  80  -0.752  15.232  -1.299
  685   2HB   LEU  80          3HB       LEU  80  -1.542  14.955  -2.847
  686    HG   LEU  80           HG       LEU  80  -3.061  14.326  -1.046
  687   1HD1  LEU  80          1HD1      LEU  80  -2.638  12.846  -3.209
  688   2HD1  LEU  80          2HD1      LEU  80  -2.100  11.661  -2.018
  689   3HD1  LEU  80          3HD1      LEU  80  -3.741  12.303  -1.945
  690   1HD2  LEU  80          1HD2      LEU  80  -1.600  12.010  -0.054
  691   2HD2  LEU  80          2HD2      LEU  80  -0.712  13.504   0.250
  692   3HD2  LEU  80          3HD2      LEU  80  -2.360  13.320   0.849
  693    H    GLY  81           H        GLY  81  -0.133  11.258  -3.475
  694   1HA   GLY  81          1HA       GLY  81  -1.116  10.763  -5.629
  695   2HA   GLY  81          2HA       GLY  81  -0.564  12.328  -6.199
  696    H    ASP  82           H        ASP  82   1.966  11.217  -4.407
  697    HA   ASP  82           HA       ASP  82   3.523  10.595  -6.720
  698   1HB   ASP  82          2HB       ASP  82   4.084  10.338  -3.754
  699   2HB   ASP  82          3HB       ASP  82   5.270   9.972  -5.002
  700    H    TYR  83           H        TYR  83   4.250   8.603  -7.438
  701    HA   TYR  83           HA       TYR  83   2.548   6.371  -6.946
  702   1HB   TYR  83          2HB       TYR  83   5.017   6.891  -8.545
  703   2HB   TYR  83          3HB       TYR  83   4.645   5.213  -8.155
  704    HD1  TYR  83           HD1      TYR  83   3.940   4.356 -10.251
  705    HD2  TYR  83           HD2      TYR  83   2.211   7.991  -8.742
  706    HE1  TYR  83           HE1      TYR  83   2.245   4.304 -12.061
  707    HE2  TYR  83           HE2      TYR  83   0.519   7.935 -10.549
  708    HH   TYR  83           HH       TYR  83  -0.159   5.264 -12.357
  709    H    VAL  84           H        VAL  84   2.803   4.660  -5.570
  710    HA   VAL  84           HA       VAL  84   4.941   4.914  -3.588
  711    HB   VAL  84           HB       VAL  84   3.690   2.987  -2.478
  712   1HG1  VAL  84          1HG1      VAL  84   3.384   5.229  -1.655
  713   2HG1  VAL  84          2HG1      VAL  84   2.326   5.639  -3.005
  714   3HG1  VAL  84          3HG1      VAL  84   1.786   4.495  -1.776
  715   1HG2  VAL  84          1HG2      VAL  84   1.509   2.417  -3.257
  716   2HG2  VAL  84          2HG2      VAL  84   1.496   3.744  -4.417
  717   3HG2  VAL  84          3HG2      VAL  84   2.550   2.354  -4.676
  718    H    GLU  85           H        GLU  85   6.160   2.993  -2.969
  719    HA   GLU  85           HA       GLU  85   6.419   0.963  -5.071
  720   1HB   GLU  85          2HB       GLU  85   8.810   2.504  -4.040
  721   2HB   GLU  85          3HB       GLU  85   8.784   1.299  -5.326
  722   1HG   GLU  85          2HG       GLU  85   7.406   2.766  -6.718
  723   2HG   GLU  85          3HG       GLU  85   7.326   3.957  -5.421
  724    H    ILE  86           H        ILE  86   7.408  -0.937  -4.388
  725    HA   ILE  86           HA       ILE  86   7.653  -1.165  -1.445
  726    HB   ILE  86           HB       ILE  86   6.923  -3.252  -3.526
  727   1HG1  ILE  86          2HG1      ILE  86   5.225  -2.442  -1.183
  728   2HG1  ILE  86          3HG1      ILE  86   5.262  -1.397  -2.602
  729   1HG2  ILE  86          1HG2      ILE  86   7.709  -4.752  -2.028
  730   2HG2  ILE  86          2HG2      ILE  86   7.997  -3.498  -0.825
  731   3HG2  ILE  86          3HG2      ILE  86   6.404  -4.243  -0.958
  732   1HD1  ILE  86          1HD1      ILE  86   4.347  -3.048  -3.999
  733   2HD1  ILE  86          2HD1      ILE  86   4.796  -4.357  -2.906
  734   3HD1  ILE  86          3HD1      ILE  86   3.463  -3.279  -2.492
  735    H    VAL  87           H        VAL  87   9.837  -0.215  -1.892
  736    HA   VAL  87           HA       VAL  87  11.700  -2.167  -3.089
  737    HB   VAL  87           HB       VAL  87  12.689   0.456  -2.093
  738   1HG1  VAL  87          1HG1      VAL  87  14.133  -1.177  -3.266
  739   2HG1  VAL  87          2HG1      VAL  87  13.052  -1.126  -4.658
  740   3HG1  VAL  87          3HG1      VAL  87  13.966   0.310  -4.198
  741   1HG2  VAL  87          1HG2      VAL  87  10.672   1.276  -3.062
  742   2HG2  VAL  87          2HG2      VAL  87  11.876   1.440  -4.335
  743   3HG2  VAL  87          3HG2      VAL  87  10.729   0.103  -4.373
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  12.636  -9.338  -4.839
    2   2H    MET   1          2HT       MET   1  11.808  -8.260  -3.821
    3   3H    MET   1          3HT       MET   1  13.037  -7.692  -4.846
    4    HA   MET   1           HA       MET   1  11.753  -8.132  -6.784
    5   1HB   MET   1          2HB       MET   1   9.525  -9.127  -6.630
    6   2HB   MET   1          3HB       MET   1  10.711 -10.210  -5.907
    7   1HG   MET   1          2HG       MET   1  10.100  -8.993  -3.673
    8   2HG   MET   1          3HG       MET   1   8.646  -8.499  -4.540
    9   1HE   MET   1          1HE       MET   1   7.886 -10.947  -6.449
   10   2HE   MET   1          2HE       MET   1   6.960  -9.818  -5.463
   11   3HE   MET   1          3HE       MET   1   6.686 -11.550  -5.297
   12    H    ARG   2           H        ARG   2  11.032  -6.228  -7.474
   13    HA   ARG   2           HA       ARG   2   9.878  -4.358  -5.511
   14   1HB   ARG   2          2HB       ARG   2  10.890  -3.695  -8.277
   15   2HB   ARG   2          3HB       ARG   2  10.621  -2.594  -6.926
   16   1HG   ARG   2          2HG       ARG   2  12.426  -3.658  -5.655
   17   2HG   ARG   2          3HG       ARG   2  12.676  -4.827  -6.953
   18   1HD   ARG   2          2HD       ARG   2  13.053  -1.828  -7.154
   19   2HD   ARG   2          3HD       ARG   2  14.331  -3.038  -7.122
   20    HE   ARG   2           HE       ARG   2  12.335  -2.869  -9.308
   21   1HH1  ARG   2          1HH1      ARG   2  14.795  -1.364  -9.885
   22   2HH1  ARG   2          2HH1      ARG   2  15.822  -2.538 -10.641
   23   1HH2  ARG   2          1HH2      ARG   2  13.959  -5.251  -9.545
   24   2HH2  ARG   2          2HH2      ARG   2  15.344  -4.743 -10.452
   25    H    ILE   3           H        ILE   3   8.085  -3.014  -6.138
   26    HA   ILE   3           HA       ILE   3   6.507  -3.890  -8.449
   27    HB   ILE   3           HB       ILE   3   5.071  -3.721  -5.826
   28   1HG1  ILE   3          2HG1      ILE   3   6.490  -6.175  -6.926
   29   2HG1  ILE   3          3HG1      ILE   3   6.847  -5.362  -5.404
   30   1HG2  ILE   3          1HG2      ILE   3   4.599  -5.316  -8.364
   31   2HG2  ILE   3          2HG2      ILE   3   3.490  -5.178  -7.000
   32   3HG2  ILE   3          3HG2      ILE   3   3.845  -3.763  -7.991
   33   1HD1  ILE   3          1HD1      ILE   3   4.254  -5.817  -4.971
   34   2HD1  ILE   3          2HD1      ILE   3   4.541  -7.121  -6.120
   35   3HD1  ILE   3          3HD1      ILE   3   5.471  -7.047  -4.625
   36    H    LYS   4           H        LYS   4   5.019  -2.402  -9.154
   37    HA   LYS   4           HA       LYS   4   5.449   0.346  -8.234
   38   1HB   LYS   4          2HB       LYS   4   5.429  -0.621 -10.716
   39   2HB   LYS   4          3HB       LYS   4   3.700  -0.317 -10.565
   40   1HG   LYS   4          2HG       LYS   4   4.326   1.767 -11.285
   41   2HG   LYS   4          3HG       LYS   4   4.632   2.008  -9.567
   42   1HD   LYS   4          2HD       LYS   4   6.983   1.498  -9.843
   43   2HD   LYS   4          3HD       LYS   4   6.726   1.025 -11.523
   44   1HE   LYS   4          2HE       LYS   4   6.021   3.323 -12.072
   45   2HE   LYS   4          3HE       LYS   4   6.276   3.801 -10.392
   46   1HZ   LYS   4          1HZ       LYS   4   8.151   3.706 -12.450
   47   2HZ   LYS   4          2HZ       LYS   4   8.579   2.497 -11.338
   48   3HZ   LYS   4          3HZ       LYS   4   8.411   4.107 -10.823
   49    H    GLY   5           H        GLY   5   3.585   1.813  -8.049
   50   1HA   GLY   5          1HA       GLY   5   0.923   0.797  -7.742
   51   2HA   GLY   5          2HA       GLY   5   1.690   1.086  -6.185
   52    H    VAL   6           H        VAL   6  -0.426   2.604  -6.460
   53    HA   VAL   6           HA       VAL   6   0.662   5.280  -6.933
   54    HB   VAL   6           HB       VAL   6  -1.653   4.082  -8.452
   55   1HG1  VAL   6          1HG1      VAL   6  -1.948   6.516  -9.270
   56   2HG1  VAL   6          2HG1      VAL   6  -2.621   6.104  -7.693
   57   3HG1  VAL   6          3HG1      VAL   6  -1.090   6.976  -7.800
   58   1HG2  VAL   6          1HG2      VAL   6  -0.421   5.186 -10.345
   59   2HG2  VAL   6          2HG2      VAL   6   0.840   5.636  -9.198
   60   3HG2  VAL   6          3HG2      VAL   6   0.515   3.933  -9.531
   61    H    VAL   7           H        VAL   7  -0.102   6.760  -5.571
   62    HA   VAL   7           HA       VAL   7  -1.746   5.953  -3.363
   63    HB   VAL   7           HB       VAL   7  -0.738   8.709  -4.127
   64   1HG1  VAL   7          1HG1      VAL   7  -2.567   8.793  -2.498
   65   2HG1  VAL   7          2HG1      VAL   7  -1.772   7.566  -1.509
   66   3HG1  VAL   7          3HG1      VAL   7  -1.040   9.158  -1.695
   67   1HG2  VAL   7          1HG2      VAL   7   0.438   6.678  -2.204
   68   2HG2  VAL   7          2HG2      VAL   7   1.041   6.959  -3.835
   69   3HG2  VAL   7          3HG2      VAL   7   1.119   8.246  -2.633
   70    H    LEU   8           H        LEU   8  -3.765   6.722  -2.766
   71    HA   LEU   8           HA       LEU   8  -5.399   7.809  -4.974
   72   1HB   LEU   8          2HB       LEU   8  -6.158   6.096  -2.596
   73   2HB   LEU   8          3HB       LEU   8  -7.324   6.806  -3.715
   74    HG   LEU   8           HG       LEU   8  -5.049   4.997  -4.581
   75   1HD1  LEU   8          1HD1      LEU   8  -7.253   3.510  -5.004
   76   2HD1  LEU   8          2HD1      LEU   8  -6.338   3.430  -3.497
   77   3HD1  LEU   8          3HD1      LEU   8  -7.801   4.414  -3.593
   78   1HD2  LEU   8          1HD2      LEU   8  -6.975   4.854  -6.498
   79   2HD2  LEU   8          2HD2      LEU   8  -7.222   6.509  -5.934
   80   3HD2  LEU   8          3HD2      LEU   8  -5.643   6.010  -6.548
   81    H    SER   9           H        SER   9  -5.385   7.790  -1.387
   82    HA   SER   9           HA       SER   9  -5.388  10.653  -1.220
   83   1HB   SER   9          2HB       SER   9  -7.798   9.942  -1.917
   84   2HB   SER   9          3HB       SER   9  -7.945   9.415  -0.244
   85    HG   SER   9           HG       SER   9  -7.859  11.440   0.410
   86    H    TYR  10           H        TYR  10  -4.983  11.383   0.840
   87    HA   TYR  10           HA       TYR  10  -4.361   9.312   2.829
   88   1HB   TYR  10          2HB       TYR  10  -2.673  11.083   2.146
   89   2HB   TYR  10          3HB       TYR  10  -3.702  12.260   2.959
   90    HD1  TYR  10           HD1      TYR  10  -1.314   9.540   3.382
   91    HD2  TYR  10           HD2      TYR  10  -4.147  12.054   5.413
   92    HE1  TYR  10           HE1      TYR  10  -0.314   8.911   5.559
   93    HE2  TYR  10           HE2      TYR  10  -3.144  11.422   7.591
   94    HH   TYR  10           HH       TYR  10  -0.161   9.643   7.784
   95    H    ARG  11           H        ARG  11  -5.807   8.892   4.353
   96    HA   ARG  11           HA       ARG  11  -7.963  10.770   4.932
   97   1HB   ARG  11          2HB       ARG  11  -7.428   7.889   5.407
   98   2HB   ARG  11          3HB       ARG  11  -8.423   8.711   6.609
   99   1HG   ARG  11          2HG       ARG  11 -10.021   9.388   4.955
  100   2HG   ARG  11          3HG       ARG  11  -8.956   8.895   3.634
  101   1HD   ARG  11          2HD       ARG  11  -9.299   6.617   4.026
  102   2HD   ARG  11          3HD       ARG  11  -9.810   6.878   5.693
  103    HE   ARG  11           HE       ARG  11 -11.682   8.127   4.010
  104   1HH1  ARG  11          1HH1      ARG  11 -10.946   5.459   2.587
  105   2HH1  ARG  11          2HH1      ARG  11 -12.210   4.430   3.174
  106   1HH2  ARG  11          1HH2      ARG  11 -13.127   6.583   5.737
  107   2HH2  ARG  11          2HH2      ARG  11 -13.444   5.066   4.962
  108    H    ARG  12           H        ARG  12  -8.247  11.856   6.813
  109    HA   ARG  12           HA       ARG  12  -6.269  11.460   8.967
  110   1HB   ARG  12          2HB       ARG  12  -5.914  13.501   7.355
  111   2HB   ARG  12          3HB       ARG  12  -7.237  14.216   8.277
  112   1HG   ARG  12          2HG       ARG  12  -5.862  13.464  10.367
  113   2HG   ARG  12          3HG       ARG  12  -4.513  13.362   9.235
  114   1HD   ARG  12          2HD       ARG  12  -6.134  15.786  10.007
  115   2HD   ARG  12          3HD       ARG  12  -4.389  15.568  10.083
  116    HE   ARG  12           HE       ARG  12  -5.758  16.650   7.904
  117   1HH1  ARG  12          1HH1      ARG  12  -2.749  15.496   8.650
  118   2HH1  ARG  12          2HH1      ARG  12  -2.324  14.960   7.057
  119   1HH2  ARG  12          1HH2      ARG  12  -5.521  15.397   5.780
  120   2HH2  ARG  12          2HH2      ARG  12  -3.893  14.917   5.428
  121    H    SER  13           H        SER  13  -8.035  10.227   9.926
  122    HA   SER  13           HA       SER  13 -10.599  11.038  10.501
  123   1HB   SER  13          2HB       SER  13 -10.531   9.571  12.411
  124   2HB   SER  13          3HB       SER  13  -9.548   8.843  11.144
  125    HG   SER  13           HG       SER  13  -7.781  10.114  12.252
  126    H    LYS  14           H        LYS  14 -11.489  11.819  12.612
  127    HA   LYS  14           HA       LYS  14  -9.796  13.975  13.729
  128   1HB   LYS  14          2HB       LYS  14 -12.732  13.959  13.035
  129   2HB   LYS  14          3HB       LYS  14 -12.021  15.162  14.115
  130   1HG   LYS  14          2HG       LYS  14 -10.705  14.658  11.472
  131   2HG   LYS  14          3HG       LYS  14 -12.189  15.612  11.504
  132   1HD   LYS  14          2HD       LYS  14 -11.226  17.316  12.769
  133   2HD   LYS  14          3HD       LYS  14  -9.989  16.256  13.447
  134   1HE   LYS  14          2HE       LYS  14  -9.304  17.977  11.599
  135   2HE   LYS  14          3HE       LYS  14  -8.674  16.331  11.509
  136   1HZ   LYS  14          1HZ       LYS  14 -11.000  17.430  10.025
  137   2HZ   LYS  14          2HZ       LYS  14 -10.549  15.793  10.020
  138   3HZ   LYS  14          3HZ       LYS  14  -9.505  16.966   9.373
  139    H    GLU  15           H        GLU  15 -13.000  13.357  14.852
  140    HA   GLU  15           HA       GLU  15 -11.989  12.708  17.506
  141   1HB   GLU  15          2HB       GLU  15 -14.569  12.720  17.965
  142   2HB   GLU  15          3HB       GLU  15 -13.731  14.244  17.670
  143   1HG   GLU  15          2HG       GLU  15 -14.512  14.375  15.432
  144   2HG   GLU  15          3HG       GLU  15 -14.985  12.681  15.407
  145    H    ASN  16           H        ASN  16 -12.960  11.015  14.759
  146    HA   ASN  16           HA       ASN  16 -14.229   8.783  16.062
  147   1HB   ASN  16          2HB       ASN  16 -14.715   9.310  13.721
  148   2HB   ASN  16          3HB       ASN  16 -13.027   9.040  13.295
  149   1HD2  ASN  16          2HD2      ASN  16 -15.114   7.104  15.492
  150   2HD2  ASN  16          1HD2      ASN  16 -14.967   5.667  14.603
  151    H    GLN  17           H        GLN  17 -13.158   7.443  17.348
  152    HA   GLN  17           HA       GLN  17 -10.371   7.221  17.560
  153   1HB   GLN  17          2HB       GLN  17 -12.218   6.462  19.207
  154   2HB   GLN  17          3HB       GLN  17 -12.235   4.966  18.271
  155   1HG   GLN  17          2HG       GLN  17 -10.623   4.420  19.837
  156   2HG   GLN  17          3HG       GLN  17  -9.598   5.141  18.597
  157   1HE2  GLN  17          2HE2      GLN  17 -10.790   5.504  21.854
  158   2HE2  GLN  17          1HE2      GLN  17  -9.968   6.945  22.206
  159    H    HIS  18           H        HIS  18  -9.231   6.762  15.746
  160    HA   HIS  18           HA       HIS  18  -9.058   4.080  14.841
  161   1HB   HIS  18          2HB       HIS  18 -10.828   5.923  13.323
  162   2HB   HIS  18          3HB       HIS  18  -9.693   4.972  12.366
  163    HD1  HIS  18           HD1      HIS  18  -9.638   2.294  13.486
  164    HD2  HIS  18           HD2      HIS  18 -13.170   4.500  13.557
  165    HE1  HIS  18           HE1      HIS  18 -11.518   0.624  13.777
  166    H    ASN  19           H        ASN  19  -8.210   7.320  14.961
  167    HA   ASN  19           HA       ASN  19  -6.283   8.447  14.512
  168   1HB   ASN  19          2HB       ASN  19  -5.286   6.153  15.214
  169   2HB   ASN  19          3HB       ASN  19  -5.028   5.908  13.489
  170   1HD2  ASN  19          2HD2      ASN  19  -2.675   5.983  13.863
  171   2HD2  ASN  19          1HD2      ASN  19  -1.894   7.464  14.135
  172    H    ASN  20           H        ASN  20  -4.566   8.621  12.537
  173    HA   ASN  20           HA       ASN  20  -6.227   9.129  10.221
  174   1HB   ASN  20          2HB       ASN  20  -4.270  10.211   9.306
  175   2HB   ASN  20          3HB       ASN  20  -4.448  10.703  10.988
  176   1HD2  ASN  20          2HD2      ASN  20  -2.795  10.062  12.486
  177   2HD2  ASN  20          1HD2      ASN  20  -1.401   9.224  12.005
  178    H    VAL  21           H        VAL  21  -6.193   8.067   8.295
  179    HA   VAL  21           HA       VAL  21  -4.505   5.638   8.126
  180    HB   VAL  21           HB       VAL  21  -7.311   6.035   7.043
  181   1HG1  VAL  21          1HG1      VAL  21  -7.021   3.437   6.864
  182   2HG1  VAL  21          2HG1      VAL  21  -6.334   4.463   5.607
  183   3HG1  VAL  21          3HG1      VAL  21  -5.297   3.803   6.876
  184   1HG2  VAL  21          1HG2      VAL  21  -7.451   5.825   9.426
  185   2HG2  VAL  21          2HG2      VAL  21  -7.811   4.227   8.774
  186   3HG2  VAL  21          3HG2      VAL  21  -6.218   4.563   9.454
  187    H    MET  22           H        MET  22  -4.411   4.862   5.741
  188    HA   MET  22           HA       MET  22  -4.358   7.062   3.821
  189   1HB   MET  22          2HB       MET  22  -2.130   7.181   4.788
  190   2HB   MET  22          3HB       MET  22  -1.902   5.447   4.552
  191   1HG   MET  22          2HG       MET  22  -2.039   5.708   2.137
  192   2HG   MET  22          3HG       MET  22  -2.424   7.419   2.310
  193   1HE   MET  22          1HE       MET  22   1.069   7.721   0.822
  194   2HE   MET  22          2HE       MET  22  -0.601   8.285   0.816
  195   3HE   MET  22          3HE       MET  22  -0.242   6.607   0.408
  196    H    ILE  23           H        ILE  23  -4.969   6.392   1.866
  197    HA   ILE  23           HA       ILE  23  -5.388   3.520   1.450
  198    HB   ILE  23           HB       ILE  23  -6.298   5.743  -0.373
  199   1HG1  ILE  23          2HG1      ILE  23  -7.079   6.317   1.881
  200   2HG1  ILE  23          3HG1      ILE  23  -8.430   5.728   0.916
  201   1HG2  ILE  23          1HG2      ILE  23  -6.448   3.393  -1.168
  202   2HG2  ILE  23          2HG2      ILE  23  -7.416   2.991   0.251
  203   3HG2  ILE  23          3HG2      ILE  23  -8.042   4.119  -0.953
  204   1HD1  ILE  23          1HD1      ILE  23  -8.599   4.644   3.052
  205   2HD1  ILE  23          2HD1      ILE  23  -7.997   3.429   1.925
  206   3HD1  ILE  23          3HD1      ILE  23  -6.887   4.217   3.041
  207    H    ILE  24           H        ILE  24  -4.503   2.370  -0.195
  208    HA   ILE  24           HA       ILE  24  -2.695   3.718  -2.087
  209    HB   ILE  24           HB       ILE  24  -1.938   1.552  -0.124
  210   1HG1  ILE  24          2HG1      ILE  24  -0.547   4.079  -1.089
  211   2HG1  ILE  24          3HG1      ILE  24  -1.459   3.938   0.414
  212   1HG2  ILE  24          1HG2      ILE  24   0.170   1.327  -1.549
  213   2HG2  ILE  24          2HG2      ILE  24  -1.284   0.593  -2.225
  214   3HG2  ILE  24          3HG2      ILE  24  -0.719   2.147  -2.835
  215   1HD1  ILE  24          1HD1      ILE  24   0.090   2.184   1.196
  216   2HD1  ILE  24          2HD1      ILE  24   0.999   2.311  -0.311
  217   3HD1  ILE  24          3HD1      ILE  24   0.964   3.666   0.817
  218    H    LYS  25           H        LYS  25  -2.269   2.488  -3.969
  219    HA   LYS  25           HA       LYS  25  -3.965   0.113  -4.395
  220   1HB   LYS  25          2HB       LYS  25  -5.273   1.977  -5.215
  221   2HB   LYS  25          3HB       LYS  25  -3.891   2.621  -6.094
  222   1HG   LYS  25          2HG       LYS  25  -3.924   0.816  -7.661
  223   2HG   LYS  25          3HG       LYS  25  -5.034  -0.125  -6.661
  224   1HD   LYS  25          2HD       LYS  25  -6.721   1.748  -6.962
  225   2HD   LYS  25          3HD       LYS  25  -5.629   2.438  -8.162
  226   1HE   LYS  25          2HE       LYS  25  -5.703   0.151  -9.319
  227   2HE   LYS  25          3HE       LYS  25  -7.064  -0.221  -8.262
  228   1HZ   LYS  25          1HZ       LYS  25  -8.394   1.291  -9.276
  229   2HZ   LYS  25          2HZ       LYS  25  -7.402   0.899 -10.599
  230   3HZ   LYS  25          3HZ       LYS  25  -7.115   2.316  -9.706
  231    HA   PRO  26           HA       PRO  26   0.230  -0.767  -5.919
  232   1HB   PRO  26          2HB       PRO  26  -0.490  -3.557  -6.028
  233   2HB   PRO  26          3HB       PRO  26   0.622  -2.750  -4.919
  234   1HG   PRO  26          2HG       PRO  26  -1.907  -3.807  -4.318
  235   2HG   PRO  26          3HG       PRO  26  -0.880  -2.822  -3.273
  236   1HD   PRO  26          2HD       PRO  26  -3.338  -2.066  -4.662
  237   2HD   PRO  26          3HD       PRO  26  -2.464  -1.200  -3.385
  238    H    LEU  27           H        LEU  27  -0.827   0.367  -7.802
  239    HA   LEU  27           HA       LEU  27  -1.378   0.525 -10.002
  240   1HB   LEU  27          2HB       LEU  27   0.914  -0.609  -9.933
  241   2HB   LEU  27          3HB       LEU  27   0.056  -2.092 -10.320
  242    HG   LEU  27           HG       LEU  27  -0.931  -0.930 -12.320
  243   1HD1  LEU  27          1HD1      LEU  27   0.698   1.158 -12.872
  244   2HD1  LEU  27          2HD1      LEU  27  -0.855   1.346 -12.055
  245   3HD1  LEU  27          3HD1      LEU  27   0.637   1.290 -11.114
  246   1HD2  LEU  27          1HD2      LEU  27   1.122  -2.344 -12.488
  247   2HD2  LEU  27          2HD2      LEU  27   1.125  -1.025 -13.662
  248   3HD2  LEU  27          3HD2      LEU  27   2.106  -0.908 -12.199
  249    H    ASP  28           H        ASP  28  -1.398  -3.022  -9.912
  250    HA   ASP  28           HA       ASP  28  -4.222  -2.916 -10.773
  251   1HB   ASP  28          2HB       ASP  28  -3.694  -5.315 -11.591
  252   2HB   ASP  28          3HB       ASP  28  -3.081  -3.950 -12.524
  253    H    VAL  29           H        VAL  29  -2.475  -5.752  -9.614
  254    HA   VAL  29           HA       VAL  29  -3.120  -7.313  -8.052
  255    HB   VAL  29           HB       VAL  29  -3.199  -4.704  -6.513
  256   1HG1  VAL  29          1HG1      VAL  29  -4.026  -7.420  -5.679
  257   2HG1  VAL  29          2HG1      VAL  29  -2.840  -6.662  -4.622
  258   3HG1  VAL  29          3HG1      VAL  29  -4.376  -5.859  -4.938
  259   1HG2  VAL  29          1HG2      VAL  29  -0.999  -5.346  -7.301
  260   2HG2  VAL  29          2HG2      VAL  29  -1.074  -5.710  -5.575
  261   3HG2  VAL  29          3HG2      VAL  29  -1.238  -7.008  -6.760
  262    H    ASN  30           H        ASN  30  -5.011  -7.166  -9.709
  263    HA   ASN  30           HA       ASN  30  -7.528  -6.354  -8.500
  264   1HB   ASN  30          2HB       ASN  30  -8.405  -7.167 -10.766
  265   2HB   ASN  30          3HB       ASN  30  -7.348  -5.765 -10.780
  266   1HD2  ASN  30          2HD2      ASN  30  -5.566  -5.896 -12.151
  267   2HD2  ASN  30          1HD2      ASN  30  -4.957  -7.337 -12.812
  268    H    SER  31           H        SER  31  -6.282  -8.387  -7.081
  269    HA   SER  31           HA       SER  31  -8.309 -10.452  -7.202
  270   1HB   SER  31          2HB       SER  31  -6.986 -11.633  -8.686
  271   2HB   SER  31          3HB       SER  31  -5.488 -10.944  -8.065
  272    HG   SER  31           HG       SER  31  -6.790 -13.208  -7.346
  273    H    ARG  32           H        ARG  32  -8.876 -10.786  -5.181
  274    HA   ARG  32           HA       ARG  32  -7.510  -9.827  -2.925
  275   1HB   ARG  32          2HB       ARG  32  -9.862 -10.256  -2.785
  276   2HB   ARG  32          3HB       ARG  32  -9.650 -11.941  -3.248
  277   1HG   ARG  32          2HG       ARG  32  -8.392 -12.359  -1.161
  278   2HG   ARG  32          3HG       ARG  32  -8.613 -10.671  -0.695
  279   1HD   ARG  32          2HD       ARG  32 -11.161 -11.203  -1.089
  280   2HD   ARG  32          3HD       ARG  32 -10.646 -12.874  -0.864
  281    HE   ARG  32           HE       ARG  32 -10.664 -10.766   1.161
  282   1HH1  ARG  32          1HH2      ARG  32  -8.611 -13.334   0.431
  283   2HH1  ARG  32          2HH2      ARG  32  -8.810 -14.161   1.939
  284   1HH2  ARG  32          1HH1      ARG  32 -11.384 -12.110   3.026
  285   2HH2  ARG  32          2HH1      ARG  32 -10.382 -13.470   3.407
  286    H    GLU  33           H        GLU  33  -7.254 -12.787  -4.736
  287    HA   GLU  33           HA       GLU  33  -5.945 -14.404  -2.823
  288   1HB   GLU  33          2HB       GLU  33  -6.800 -15.280  -4.976
  289   2HB   GLU  33          3HB       GLU  33  -5.580 -14.349  -5.838
  290   1HG   GLU  33          2HG       GLU  33  -4.780 -16.292  -3.678
  291   2HG   GLU  33          3HG       GLU  33  -5.100 -16.854  -5.317
  292    H    GLU  34           H        GLU  34  -4.833 -11.960  -5.095
  293    HA   GLU  34           HA       GLU  34  -2.044 -12.280  -4.324
  294   1HB   GLU  34          2HB       GLU  34  -3.012 -11.624  -6.674
  295   2HB   GLU  34          3HB       GLU  34  -3.086 -10.005  -5.979
  296   1HG   GLU  34          2HG       GLU  34  -0.942  -9.947  -6.824
  297   2HG   GLU  34          3HG       GLU  34  -0.608 -10.590  -5.220
  298    H    ALA  35           H        ALA  35  -4.602  -9.808  -4.054
  299    HA   ALA  35           HA       ALA  35  -3.148  -7.864  -2.666
  300   1HB   ALA  35          1HB       ALA  35  -6.005  -8.305  -1.927
  301   2HB   ALA  35          2HB       ALA  35  -5.169  -6.812  -2.339
  302   3HB   ALA  35          3HB       ALA  35  -5.646  -7.937  -3.611
  303    H    SER  36           H        SER  36  -5.345 -10.330  -1.281
  304    HA   SER  36           HA       SER  36  -4.761  -9.913   1.409
  305   1HB   SER  36          2HB       SER  36  -6.564 -11.403   0.512
  306   2HB   SER  36          3HB       SER  36  -5.326 -12.589   0.107
  307    HG   SER  36           HG       SER  36  -6.298 -11.763   2.592
  308    H    LYS  37           H        LYS  37  -2.857 -11.413  -1.069
  309    HA   LYS  37           HA       LYS  37  -1.147 -12.952   0.601
  310   1HB   LYS  37          2HB       LYS  37  -1.550 -12.948  -2.020
  311   2HB   LYS  37          3HB       LYS  37  -0.153 -11.873  -1.989
  312   1HG   LYS  37          2HG       LYS  37   1.076 -13.568  -0.633
  313   2HG   LYS  37          3HG       LYS  37  -0.304 -14.655  -0.797
  314   1HD   LYS  37          2HD       LYS  37   0.919 -15.383  -2.607
  315   2HD   LYS  37          3HD       LYS  37   0.039 -14.071  -3.388
  316   1HE   LYS  37          2HE       LYS  37   2.284 -13.683  -4.004
  317   2HE   LYS  37          3HE       LYS  37   2.017 -12.568  -2.665
  318   1HZ   LYS  37          1HZ       LYS  37   3.920 -14.599  -2.853
  319   2HZ   LYS  37          2HZ       LYS  37   2.829 -15.052  -1.634
  320   3HZ   LYS  37          3HZ       LYS  37   3.632 -13.558  -1.547
  321    H    LEU  38           H        LEU  38  -0.465  -9.893  -1.152
  322    HA   LEU  38           HA       LEU  38   1.913  -9.472   0.423
  323   1HB   LEU  38          2HB       LEU  38   2.478  -7.912  -1.123
  324   2HB   LEU  38          3HB       LEU  38   1.224  -8.699  -2.074
  325    HG   LEU  38           HG       LEU  38   0.866  -6.217  -0.359
  326   1HD1  LEU  38          1HD1      LEU  38   2.128  -6.036  -2.572
  327   2HD1  LEU  38          2HD1      LEU  38   0.613  -6.486  -3.356
  328   3HD1  LEU  38          3HD1      LEU  38   0.707  -5.008  -2.396
  329   1HD2  LEU  38          1HD2      LEU  38  -1.265  -7.094  -0.286
  330   2HD2  LEU  38          2HD2      LEU  38  -1.350  -6.311  -1.861
  331   3HD2  LEU  38          3HD2      LEU  38  -1.039  -8.043  -1.757
  332    H    ILE  39           H        ILE  39  -1.109  -9.319   1.379
  333    HA   ILE  39           HA       ILE  39  -1.644  -6.812   2.439
  334    HB   ILE  39           HB       ILE  39  -3.082  -8.932   2.476
  335   1HG1  ILE  39          2HG1      ILE  39  -2.899  -7.336   5.055
  336   2HG1  ILE  39          3HG1      ILE  39  -3.688  -6.766   3.581
  337   1HG2  ILE  39          1HG2      ILE  39  -1.302 -10.301   3.638
  338   2HG2  ILE  39          2HG2      ILE  39  -1.630  -9.371   5.100
  339   3HG2  ILE  39          3HG2      ILE  39  -2.891 -10.383   4.396
  340   1HD1  ILE  39          1HD1      ILE  39  -5.507  -7.680   4.689
  341   2HD1  ILE  39          2HD1      ILE  39  -4.969  -9.088   3.774
  342   3HD1  ILE  39          3HD1      ILE  39  -4.539  -8.922   5.477
  343    H    GLY  40           H        GLY  40   0.968  -8.855   3.137
  344   1HA   GLY  40          1HA       GLY  40   1.500  -7.465   5.698
  345   2HA   GLY  40          2HA       GLY  40   2.040  -9.101   5.341
  346    H    ARG  41           H        ARG  41   2.333  -7.282   2.555
  347    HA   ARG  41           HA       ARG  41   5.191  -7.301   2.673
  348   1HB   ARG  41          2HB       ARG  41   3.128  -6.627   0.682
  349   2HB   ARG  41          3HB       ARG  41   4.612  -5.686   0.540
  350   1HG   ARG  41          2HG       ARG  41   4.511  -8.714   0.719
  351   2HG   ARG  41          3HG       ARG  41   4.677  -7.810  -0.784
  352   1HD   ARG  41          2HD       ARG  41   6.908  -7.873  -0.439
  353   2HD   ARG  41          3HD       ARG  41   6.647  -6.728   0.874
  354    HE   ARG  41           HE       ARG  41   6.766  -8.527   2.418
  355   1HH1  ARG  41          1HH1      ARG  41   6.134  -9.990  -0.570
  356   2HH1  ARG  41          2HH1      ARG  41   7.176 -11.349  -0.319
  357   1HH2  ARG  41          1HH2      ARG  41   8.543 -10.110   2.609
  358   2HH2  ARG  41          2HH2      ARG  41   8.541 -11.413   1.469
  359    H    LEU  42           H        LEU  42   6.607  -5.484   2.500
  360    HA   LEU  42           HA       LEU  42   5.671  -3.179   4.070
  361   1HB   LEU  42          2HB       LEU  42   7.602  -4.192   5.017
  362   2HB   LEU  42          3HB       LEU  42   8.405  -4.303   3.455
  363    HG   LEU  42           HG       LEU  42   7.625  -1.558   4.280
  364   1HD1  LEU  42          1HD1      LEU  42   9.852  -1.534   5.659
  365   2HD1  LEU  42          2HD1      LEU  42   8.371  -2.102   6.434
  366   3HD1  LEU  42          3HD1      LEU  42   9.559  -3.264   5.835
  367   1HD2  LEU  42          1HD2      LEU  42   8.908  -1.835   2.265
  368   2HD2  LEU  42          2HD2      LEU  42  10.021  -1.190   3.469
  369   3HD2  LEU  42          3HD2      LEU  42  10.055  -2.907   3.068
  370    H    VAL  43           H        VAL  43   5.448  -1.216   3.214
  371    HA   VAL  43           HA       VAL  43   6.079  -0.825   0.371
  372    HB   VAL  43           HB       VAL  43   4.625   1.118   0.519
  373   1HG1  VAL  43          1HG1      VAL  43   2.542  -0.038   1.014
  374   2HG1  VAL  43          2HG1      VAL  43   3.649  -1.167   0.236
  375   3HG1  VAL  43          3HG1      VAL  43   3.398  -1.238   1.979
  376   1HG2  VAL  43          1HG2      VAL  43   3.368   1.316   2.825
  377   2HG2  VAL  43          2HG2      VAL  43   4.822   0.553   3.465
  378   3HG2  VAL  43          3HG2      VAL  43   4.936   2.095   2.620
  379    H    LEU  44           H        LEU  44   7.847   0.175  -0.223
  380    HA   LEU  44           HA       LEU  44   9.098   2.115   1.632
  381   1HB   LEU  44          2HB       LEU  44  10.353  -0.077   1.244
  382   2HB   LEU  44          3HB       LEU  44  10.578   0.462  -0.417
  383    HG   LEU  44           HG       LEU  44  11.337   2.246   1.897
  384   1HD1  LEU  44          1HD1      LEU  44  12.507   0.113   2.259
  385   2HD1  LEU  44          2HD1      LEU  44  13.051   0.112   0.581
  386   3HD1  LEU  44          3HD1      LEU  44  13.644   1.340   1.699
  387   1HD2  LEU  44          1HD2      LEU  44  13.096   2.820   0.008
  388   2HD2  LEU  44          2HD2      LEU  44  11.914   2.049  -1.049
  389   3HD2  LEU  44          3HD2      LEU  44  11.457   3.461  -0.098
  390    H    TRP  45           H        TRP  45   8.352   3.970   0.842
  391    HA   TRP  45           HA       TRP  45   8.409   4.549  -2.039
  392   1HB   TRP  45          2HB       TRP  45   6.350   5.150  -0.909
  393   2HB   TRP  45          3HB       TRP  45   7.231   6.012   0.346
  394    HD1  TRP  45           HD1      TRP  45   6.553   6.232  -3.459
  395    HE1  TRP  45           HE1      TRP  45   6.616   8.724  -4.143
  396    HE3  TRP  45           HE3      TRP  45   7.932   8.340   0.990
  397    HZ2  TRP  45           HZ2      TRP  45   7.205  11.256  -2.967
  398    HZ3  TRP  45           HZ3      TRP  45   8.237  10.791   1.174
  399    HH2  TRP  45           HH2      TRP  45   7.878  12.251  -0.797
  400    H    LYS  46           H        LYS  46   9.822   5.964  -2.930
  401    HA   LYS  46           HA       LYS  46  12.133   6.730  -1.383
  402   1HB   LYS  46          2HB       LYS  46  11.371   7.068  -4.286
  403   2HB   LYS  46          3HB       LYS  46  12.900   7.625  -3.607
  404   1HG   LYS  46          2HG       LYS  46  12.574   4.972  -2.692
  405   2HG   LYS  46          3HG       LYS  46  12.144   4.949  -4.399
  406   1HD   LYS  46          2HD       LYS  46  14.488   4.603  -4.380
  407   2HD   LYS  46          3HD       LYS  46  14.300   6.312  -4.778
  408   1HE   LYS  46          2HE       LYS  46  14.753   6.958  -2.489
  409   2HE   LYS  46          3HE       LYS  46  14.748   5.275  -1.965
  410   1HZ   LYS  46          1HZ       LYS  46  16.583   6.069  -4.104
  411   2HZ   LYS  46          2HZ       LYS  46  16.762   4.869  -2.915
  412   3HZ   LYS  46          3HZ       LYS  46  16.971   6.506  -2.513
  413    H    SER  47           H        SER  47  13.062   8.911  -1.586
  414    HA   SER  47           HA       SER  47  11.519  11.186  -2.228
  415   1HB   SER  47          2HB       SER  47  10.181  11.231  -0.403
  416   2HB   SER  47          3HB       SER  47  11.174  10.081   0.477
  417    HG   SER  47           HG       SER  47  11.889  12.797   0.046
  418    HA   PRO  48           HA       PRO  48  16.070  11.760  -1.743
  419   1HB   PRO  48          2HB       PRO  48  16.064  13.009  -4.347
  420   2HB   PRO  48          3HB       PRO  48  16.806  11.473  -3.871
  421   1HG   PRO  48          2HG       PRO  48  14.631  11.760  -5.555
  422   2HG   PRO  48          3HG       PRO  48  15.112  10.272  -4.729
  423   1HD   PRO  48          2HD       PRO  48  12.899  12.154  -4.069
  424   2HD   PRO  48          3HD       PRO  48  13.035  10.411  -3.749
  425    H    SER  49           H        SER  49  17.214  13.715  -1.398
  426    HA   SER  49           HA       SER  49  17.482  15.933  -0.868
  427   1HB   SER  49          2HB       SER  49  16.227  16.054  -3.270
  428   2HB   SER  49          3HB       SER  49  15.016  16.834  -2.252
  429    HG   SER  49           HG       SER  49  17.568  17.640  -1.700
  430    H    GLY  50           H        GLY  50  15.144  13.971   0.153
  431   1HA   GLY  50          1HA       GLY  50  14.170  15.913   2.140
  432   2HA   GLY  50          2HA       GLY  50  13.030  14.860   1.308
  433    H    LYS  51           H        LYS  51  12.987  12.649   1.781
  434    HA   LYS  51           HA       LYS  51  14.835  11.313   3.469
  435   1HB   LYS  51          2HB       LYS  51  13.950  12.787   5.199
  436   2HB   LYS  51          3HB       LYS  51  12.308  12.306   4.803
  437   1HG   LYS  51          2HG       LYS  51  12.676  10.067   5.562
  438   2HG   LYS  51          3HG       LYS  51  14.420  10.318   5.666
  439   1HD   LYS  51          2HD       LYS  51  13.196  10.407   7.886
  440   2HD   LYS  51          3HD       LYS  51  14.177  11.828   7.519
  441   1HE   LYS  51          2HE       LYS  51  12.286  13.131   6.951
  442   2HE   LYS  51          3HE       LYS  51  11.251  11.711   6.795
  443   1HZ   LYS  51          1HZ       LYS  51  12.336  11.725   9.369
  444   2HZ   LYS  51          2HZ       LYS  51  10.711  11.917   8.914
  445   3HZ   LYS  51          3HZ       LYS  51  11.720  13.275   9.068
  446    H    ILE  52           H        ILE  52  14.477   9.150   3.437
  447    HA   ILE  52           HA       ILE  52  12.390   8.116   1.741
  448    HB   ILE  52           HB       ILE  52  14.201   6.531   3.570
  449   1HG1  ILE  52          2HG1      ILE  52  15.603   8.093   2.317
  450   2HG1  ILE  52          3HG1      ILE  52  15.798   6.472   1.658
  451   1HG2  ILE  52          1HG2      ILE  52  13.933   4.798   1.869
  452   2HG2  ILE  52          2HG2      ILE  52  12.344   5.339   2.408
  453   3HG2  ILE  52          3HG2      ILE  52  12.988   5.896   0.863
  454   1HD1  ILE  52          1HD1      ILE  52  13.903   7.163   0.008
  455   2HD1  ILE  52          2HD1      ILE  52  14.299   8.812   0.492
  456   3HD1  ILE  52          3HD1      ILE  52  15.525   7.795  -0.267
  457    H    LEU  53           H        LEU  53  10.598   6.848   2.366
  458    HA   LEU  53           HA       LEU  53  10.072   6.669   5.272
  459   1HB   LEU  53          2HB       LEU  53   8.235   7.891   3.212
  460   2HB   LEU  53          3HB       LEU  53   7.690   7.374   4.807
  461    HG   LEU  53           HG       LEU  53   9.866   9.425   4.261
  462   1HD1  LEU  53          1HD1      LEU  53   8.290  11.070   4.987
  463   2HD1  LEU  53          2HD1      LEU  53   7.440  10.076   3.804
  464   3HD1  LEU  53          3HD1      LEU  53   7.151   9.837   5.526
  465   1HD2  LEU  53          1HD2      LEU  53   8.923   8.025   6.718
  466   2HD2  LEU  53          2HD2      LEU  53  10.511   8.697   6.350
  467   3HD2  LEU  53          3HD2      LEU  53   9.199   9.759   6.862
  468    H    LYS  54           H        LYS  54   9.631   4.681   5.792
  469    HA   LYS  54           HA       LYS  54   8.679   2.755   3.820
  470   1HB   LYS  54          2HB       LYS  54   9.510   2.388   6.710
  471   2HB   LYS  54          3HB       LYS  54   9.176   1.104   5.559
  472   1HG   LYS  54          2HG       LYS  54  11.447   1.197   5.250
  473   2HG   LYS  54          3HG       LYS  54  11.003   2.491   4.135
  474   1HD   LYS  54          2HD       LYS  54  11.438   4.180   5.794
  475   2HD   LYS  54          3HD       LYS  54  11.629   2.967   7.060
  476   1HE   LYS  54          2HE       LYS  54  13.607   2.059   5.882
  477   2HE   LYS  54          3HE       LYS  54  13.426   3.300   4.642
  478   1HZ   LYS  54          1HZ       LYS  54  14.845   3.535   6.959
  479   2HZ   LYS  54          2HZ       LYS  54  13.418   4.396   7.279
  480   3HZ   LYS  54          3HZ       LYS  54  14.379   4.807   5.942
  481    H    GLY  55           H        GLY  55   7.115   1.039   4.900
  482   1HA   GLY  55          1HA       GLY  55   5.154   2.038   6.751
  483   2HA   GLY  55          2HA       GLY  55   4.559   2.031   5.092
  484    H    LYS  56           H        LYS  56   3.071   0.459   6.450
  485    HA   LYS  56           HA       LYS  56   3.825  -2.234   5.645
  486   1HB   LYS  56          2HB       LYS  56   4.659  -1.729   8.080
  487   2HB   LYS  56          3HB       LYS  56   2.956  -1.914   8.501
  488   1HG   LYS  56          2HG       LYS  56   3.061  -4.131   7.173
  489   2HG   LYS  56          3HG       LYS  56   4.813  -3.951   7.270
  490   1HD   LYS  56          2HD       LYS  56   4.631  -3.779   9.749
  491   2HD   LYS  56          3HD       LYS  56   2.896  -4.075   9.618
  492   1HE   LYS  56          2HE       LYS  56   3.292  -6.270   8.639
  493   2HE   LYS  56          3HE       LYS  56   5.028  -5.967   8.586
  494   1HZ   LYS  56          1HZ       LYS  56   3.484  -5.910  11.108
  495   2HZ   LYS  56          2HZ       LYS  56   5.168  -5.991  10.913
  496   3HZ   LYS  56          3HZ       LYS  56   4.200  -7.328  10.511
  497    H    ILE  57           H        ILE  57   2.097  -3.268   4.886
  498    HA   ILE  57           HA       ILE  57  -0.502  -2.052   4.951
  499    HB   ILE  57           HB       ILE  57   0.291  -4.829   4.027
  500   1HG1  ILE  57          2HG1      ILE  57  -0.108  -2.455   2.214
  501   2HG1  ILE  57          3HG1      ILE  57   1.455  -2.708   2.991
  502   1HG2  ILE  57          1HG2      ILE  57  -2.134  -3.076   3.562
  503   2HG2  ILE  57          2HG2      ILE  57  -1.755  -4.469   2.550
  504   3HG2  ILE  57          3HG2      ILE  57  -2.090  -4.691   4.266
  505   1HD1  ILE  57          1HD1      ILE  57   0.995  -3.791   0.639
  506   2HD1  ILE  57          2HD1      ILE  57   1.840  -4.724   1.874
  507   3HD1  ILE  57          3HD1      ILE  57   0.124  -5.002   1.579
  508    H    VAL  58           H        VAL  58  -2.123  -2.402   6.363
  509    HA   VAL  58           HA       VAL  58  -1.707  -4.442   8.455
  510    HB   VAL  58           HB       VAL  58  -3.630  -3.110   9.571
  511   1HG1  VAL  58          1HG1      VAL  58  -0.962  -1.744   9.132
  512   2HG1  VAL  58          2HG1      VAL  58  -2.032  -1.545  10.521
  513   3HG1  VAL  58          3HG1      VAL  58  -1.224  -3.086  10.244
  514   1HG2  VAL  58          1HG2      VAL  58  -3.827  -0.779   8.852
  515   2HG2  VAL  58          2HG2      VAL  58  -2.663  -1.050   7.556
  516   3HG2  VAL  58          3HG2      VAL  58  -4.242  -1.838   7.507
  517    H    ARG  59           H        ARG  59  -4.203  -3.162   6.276
  518    HA   ARG  59           HA       ARG  59  -5.453  -5.815   6.225
  519   1HB   ARG  59          2HB       ARG  59  -7.101  -3.327   6.669
  520   2HB   ARG  59          3HB       ARG  59  -7.644  -5.004   6.702
  521   1HG   ARG  59          2HG       ARG  59  -6.065  -5.368   8.658
  522   2HG   ARG  59          3HG       ARG  59  -5.828  -3.621   8.697
  523   1HD   ARG  59          2HD       ARG  59  -8.015  -3.202   9.374
  524   2HD   ARG  59          3HD       ARG  59  -8.622  -4.712   8.701
  525    HE   ARG  59           HE       ARG  59  -8.204  -5.679  10.757
  526   1HH1  ARG  59          1HH1      ARG  59  -8.144  -3.176  12.289
  527   2HH1  ARG  59          2HH1      ARG  59  -6.565  -3.165  12.997
  528   1HH2  ARG  59          1HH2      ARG  59  -5.281  -5.538  10.818
  529   2HH2  ARG  59          2HH2      ARG  59  -4.944  -4.499  12.164
  530    H    VAL  60           H        VAL  60  -6.941  -6.091   4.472
  531    HA   VAL  60           HA       VAL  60  -6.090  -4.647   2.089
  532    HB   VAL  60           HB       VAL  60  -6.396  -7.215   2.330
  533   1HG1  VAL  60          1HG1      VAL  60  -9.208  -6.707   1.447
  534   2HG1  VAL  60          2HG1      VAL  60  -8.518  -8.123   2.238
  535   3HG1  VAL  60          3HG1      VAL  60  -8.865  -6.672   3.178
  536   1HG2  VAL  60          1HG2      VAL  60  -7.399  -7.249  -0.075
  537   2HG2  VAL  60          2HG2      VAL  60  -7.366  -5.491   0.055
  538   3HG2  VAL  60          3HG2      VAL  60  -5.869  -6.413   0.184
  539    H    HIS  61           H        HIS  61  -7.624  -3.748   0.579
  540    HA   HIS  61           HA       HIS  61 -10.272  -3.087   1.670
  541   1HB   HIS  61          2HB       HIS  61  -8.851  -1.209   2.309
  542   2HB   HIS  61          3HB       HIS  61  -8.268  -1.054   0.652
  543    HD1  HIS  61           HD1      HIS  61 -11.347  -0.554   2.766
  544    HD2  HIS  61           HD2      HIS  61 -10.054   0.265  -1.111
  545    HE1  HIS  61           HE1      HIS  61 -13.084   0.975   1.742
  546    H    GLY  62           H        GLY  62 -11.700  -3.677   0.186
  547   1HA   GLY  62          1HA       GLY  62 -12.775  -3.500  -1.913
  548   2HA   GLY  62          2HA       GLY  62 -11.244  -3.009  -2.633
  549    H    THR  63           H        THR  63 -10.696  -5.541  -0.572
  550    HA   THR  63           HA       THR  63 -10.097  -7.718  -0.825
  551    HB   THR  63           HB       THR  63 -11.626  -9.188  -1.971
  552    HG1  THR  63           HG1      THR  63 -13.255  -7.268  -2.998
  553   1HG2  THR  63          1HG2      THR  63 -13.276  -6.886  -0.921
  554   2HG2  THR  63          2HG2      THR  63 -13.658  -8.606  -0.866
  555   3HG2  THR  63          3HG2      THR  63 -12.358  -7.961   0.133
  556    H    LYS  64           H        LYS  64 -11.128  -7.579  -4.177
  557    HA   LYS  64           HA       LYS  64  -8.414  -8.258  -5.018
  558   1HB   LYS  64          2HB       LYS  64  -9.591  -8.571  -7.262
  559   2HB   LYS  64          3HB       LYS  64 -10.090  -9.653  -5.963
  560   1HG   LYS  64          2HG       LYS  64 -12.059  -8.300  -5.514
  561   2HG   LYS  64          3HG       LYS  64 -11.533  -7.082  -6.676
  562   1HD   LYS  64          2HD       LYS  64 -11.861  -8.562  -8.520
  563   2HD   LYS  64          3HD       LYS  64 -12.032  -9.960  -7.459
  564   1HE   LYS  64          2HE       LYS  64 -13.934  -7.614  -7.333
  565   2HE   LYS  64          3HE       LYS  64 -14.199  -8.979  -8.418
  566   1HZ   LYS  64          1HZ       LYS  64 -13.575 -10.051  -5.945
  567   2HZ   LYS  64          2HZ       LYS  64 -15.086 -10.057  -6.722
  568   3HZ   LYS  64          3HZ       LYS  64 -14.687  -8.809  -5.641
  569    H    GLY  65           H        GLY  65  -8.208  -5.750  -4.178
  570   1HA   GLY  65          1HA       GLY  65  -7.689  -4.279  -6.599
  571   2HA   GLY  65          2HA       GLY  65  -8.927  -3.582  -5.563
  572    H    ALA  66           H        ALA  66  -8.154  -2.012  -4.471
  573    HA   ALA  66           HA       ALA  66  -5.415  -1.547  -3.878
  574   1HB   ALA  66          1HB       ALA  66  -8.010  -0.212  -3.332
  575   2HB   ALA  66          2HB       ALA  66  -6.656   0.209  -2.285
  576   3HB   ALA  66          3HB       ALA  66  -6.526   0.441  -4.028
  577    H    VAL  67           H        VAL  67  -5.029  -0.713  -1.452
  578    HA   VAL  67           HA       VAL  67  -6.036  -2.621   0.519
  579    HB   VAL  67           HB       VAL  67  -3.913  -3.498   1.136
  580   1HG1  VAL  67          1HG1      VAL  67  -3.895  -3.379  -1.897
  581   2HG1  VAL  67          2HG1      VAL  67  -3.140  -4.611  -0.887
  582   3HG1  VAL  67          3HG1      VAL  67  -4.898  -4.479  -0.953
  583   1HG2  VAL  67          1HG2      VAL  67  -2.871  -1.236  -0.547
  584   2HG2  VAL  67          2HG2      VAL  67  -2.393  -1.726   1.079
  585   3HG2  VAL  67          3HG2      VAL  67  -1.873  -2.670  -0.319
  586    H    ARG  68           H        ARG  68  -5.442  -2.020   2.727
  587    HA   ARG  68           HA       ARG  68  -5.323   0.875   3.013
  588   1HB   ARG  68          2HB       ARG  68  -6.981  -0.355   4.322
  589   2HB   ARG  68          3HB       ARG  68  -5.707  -1.321   5.064
  590   1HG   ARG  68          2HG       ARG  68  -4.843   0.518   6.265
  591   2HG   ARG  68          3HG       ARG  68  -5.675   1.689   5.242
  592   1HD   ARG  68          2HD       ARG  68  -6.630   1.142   7.629
  593   2HD   ARG  68          3HD       ARG  68  -7.733   1.340   6.272
  594    HE   ARG  68           HE       ARG  68  -6.830  -1.389   6.811
  595   1HH1  ARG  68          1HH2      ARG  68  -8.940   0.891   8.176
  596   2HH1  ARG  68          2HH2      ARG  68 -10.340  -0.124   8.138
  597   1HH2  ARG  68          1HH1      ARG  68  -8.790  -2.644   6.336
  598   2HH2  ARG  68          2HH1      ARG  68 -10.257  -2.124   7.097
  599    H    ALA  69           H        ALA  69  -3.824   1.982   4.283
  600    HA   ALA  69           HA       ALA  69  -1.456   0.577   5.262
  601   1HB   ALA  69          1HB       ALA  69  -0.070   2.425   4.029
  602   2HB   ALA  69          2HB       ALA  69  -0.574   0.987   3.139
  603   3HB   ALA  69          3HB       ALA  69  -1.464   2.498   2.952
  604    H    ARG  70           H        ARG  70  -0.092   1.988   6.589
  605    HA   ARG  70           HA       ARG  70  -1.268   4.542   7.401
  606   1HB   ARG  70          2HB       ARG  70  -0.847   2.237   9.318
  607   2HB   ARG  70          3HB       ARG  70  -1.241   3.888   9.794
  608   1HG   ARG  70          2HG       ARG  70  -3.291   3.657   8.242
  609   2HG   ARG  70          3HG       ARG  70  -2.950   1.925   8.261
  610   1HD   ARG  70          2HD       ARG  70  -3.794   3.709  10.527
  611   2HD   ARG  70          3HD       ARG  70  -4.448   2.148  10.042
  612    HE   ARG  70           HE       ARG  70  -1.751   1.832  10.863
  613   1HH1  ARG  70          1HH2      ARG  70  -4.620   3.055  12.310
  614   2HH1  ARG  70          2HH2      ARG  70  -4.449   2.145  13.773
  615   1HH2  ARG  70          1HH1      ARG  70  -1.649   0.415  12.677
  616   2HH2  ARG  70          2HH1      ARG  70  -2.757   0.660  13.986
  617    H    PHE  71           H        PHE  71   0.322   5.961   7.583
  618    HA   PHE  71           HA       PHE  71   3.068   4.996   8.030
  619   1HB   PHE  71          2HB       PHE  71   1.913   7.490   6.798
  620   2HB   PHE  71          3HB       PHE  71   3.598   7.429   7.324
  621    HD1  PHE  71           HD1      PHE  71   5.241   6.439   5.952
  622    HD2  PHE  71           HD2      PHE  71   1.086   5.610   5.233
  623    HE1  PHE  71           HE1      PHE  71   5.840   5.226   3.874
  624    HE2  PHE  71           HE2      PHE  71   1.688   4.399   3.156
  625    HZ   PHE  71           HZ       PHE  71   4.068   4.208   2.477
  626    H    GLU  72           H        GLU  72   3.826   5.124  10.033
  627    HA   GLU  72           HA       GLU  72   2.548   6.636  12.102
  628   1HB   GLU  72          2HB       GLU  72   5.335   5.461  12.187
  629   2HB   GLU  72          3HB       GLU  72   4.258   5.783  13.546
  630   1HG   GLU  72          2HG       GLU  72   2.690   4.074  12.733
  631   2HG   GLU  72          3HG       GLU  72   3.722   3.772  11.336
  632    H    LYS  73           H        LYS  73   5.061   7.221   9.805
  633    HA   LYS  73           HA       LYS  73   6.198   9.490  11.207
  634   1HB   LYS  73          2HB       LYS  73   6.681   8.105   8.593
  635   2HB   LYS  73          3HB       LYS  73   7.288   9.745   8.820
  636   1HG   LYS  73          2HG       LYS  73   9.013   8.142   9.485
  637   2HG   LYS  73          3HG       LYS  73   8.430   9.005  10.908
  638   1HD   LYS  73          2HD       LYS  73   6.987   7.126  11.506
  639   2HD   LYS  73          3HD       LYS  73   7.435   6.273  10.030
  640   1HE   LYS  73          2HE       LYS  73   9.606   7.160  11.900
  641   2HE   LYS  73          3HE       LYS  73   8.658   5.734  12.318
  642   1HZ   LYS  73          1HZ       LYS  73   9.630   4.540  10.729
  643   2HZ   LYS  73          2HZ       LYS  73  10.804   5.766  10.670
  644   3HZ   LYS  73          3HZ       LYS  73   9.505   5.776   9.574
  645    H    GLY  74           H        GLY  74   5.063   9.380   7.853
  646   1HA   GLY  74          1HA       GLY  74   2.960  10.664   7.323
  647   2HA   GLY  74          2HA       GLY  74   3.651  11.940   8.322
  648    H    LEU  75           H        LEU  75   2.907  11.993   5.481
  649    HA   LEU  75           HA       LEU  75   5.504  12.262   4.134
  650   1HB   LEU  75          2HB       LEU  75   2.782  12.632   2.886
  651   2HB   LEU  75          3HB       LEU  75   4.306  12.243   2.089
  652    HG   LEU  75           HG       LEU  75   2.813  10.441   4.021
  653   1HD1  LEU  75          1HD1      LEU  75   1.955   9.317   2.217
  654   2HD1  LEU  75          2HD1      LEU  75   2.109  10.897   1.457
  655   3HD1  LEU  75          3HD1      LEU  75   3.347   9.668   1.198
  656   1HD2  LEU  75          1HD2      LEU  75   5.479  10.266   2.639
  657   2HD2  LEU  75          2HD2      LEU  75   5.065   9.865   4.304
  658   3HD2  LEU  75          3HD2      LEU  75   4.579   8.792   2.990
  659    HA   PRO  76           HA       PRO  76   5.827  16.639   4.488
  660   1HB   PRO  76          2HB       PRO  76   6.273  17.082   1.677
  661   2HB   PRO  76          3HB       PRO  76   7.461  17.069   2.989
  662   1HG   PRO  76          2HG       PRO  76   6.872  15.029   1.014
  663   2HG   PRO  76          3HG       PRO  76   8.249  15.163   2.115
  664   1HD   PRO  76          2HD       PRO  76   6.234  13.270   2.337
  665   2HD   PRO  76          3HD       PRO  76   7.299  13.775   3.664
  666    H    GLY  77           H        GLY  77   5.053  18.713   3.170
  667   1HA   GLY  77          1HA       GLY  77   2.227  18.701   3.205
  668   2HA   GLY  77          2HA       GLY  77   3.236  20.006   2.596
  669    H    GLN  78           H        GLN  78   4.249  17.438   0.871
  670    HA   GLN  78           HA       GLN  78   2.096  17.598  -1.133
  671   1HB   GLN  78          2HB       GLN  78   4.302  19.094  -1.467
  672   2HB   GLN  78          3HB       GLN  78   4.892  17.583  -2.148
  673   1HG   GLN  78          2HG       GLN  78   2.538  19.251  -3.045
  674   2HG   GLN  78          3HG       GLN  78   3.939  18.751  -3.983
  675   1HE2  GLN  78          2HE2      GLN  78   0.808  17.652  -2.710
  676   2HE2  GLN  78          1HE2      GLN  78   0.753  16.224  -3.624
  677    H    ALA  79           H        ALA  79   4.068  16.153  -2.949
  678    HA   ALA  79           HA       ALA  79   4.563  14.006  -3.549
  679   1HB   ALA  79          1HB       ALA  79   5.517  12.579  -1.966
  680   2HB   ALA  79          2HB       ALA  79   5.791  14.168  -1.255
  681   3HB   ALA  79          3HB       ALA  79   4.473  13.154  -0.667
  682    H    LEU  80           H        LEU  80   1.790  14.865  -1.858
  683    HA   LEU  80           HA       LEU  80   0.447  12.374  -1.651
  684   1HB   LEU  80          2HB       LEU  80  -0.101  14.768  -0.652
  685   2HB   LEU  80          3HB       LEU  80  -1.058  14.920  -2.125
  686    HG   LEU  80           HG       LEU  80  -1.287  12.636  -0.139
  687   1HD1  LEU  80          1HD1      LEU  80  -2.230  14.482   0.977
  688   2HD1  LEU  80          2HD1      LEU  80  -2.828  15.199  -0.519
  689   3HD1  LEU  80          3HD1      LEU  80  -3.619  13.771   0.148
  690   1HD2  LEU  80          1HD2      LEU  80  -2.030  11.741  -2.161
  691   2HD2  LEU  80          2HD2      LEU  80  -3.520  12.446  -1.534
  692   3HD2  LEU  80          3HD2      LEU  80  -2.593  13.303  -2.764
  693    H    GLY  81           H        GLY  81   0.464  11.156  -3.482
  694   1HA   GLY  81          1HA       GLY  81  -1.177  10.772  -5.346
  695   2HA   GLY  81          2HA       GLY  81  -0.687  12.357  -5.933
  696    H    ASP  82           H        ASP  82   1.994  10.930  -4.575
  697    HA   ASP  82           HA       ASP  82   3.250  10.526  -7.110
  698   1HB   ASP  82          2HB       ASP  82   5.212   9.920  -5.817
  699   2HB   ASP  82          3HB       ASP  82   4.452  11.331  -5.090
  700    H    TYR  83           H        TYR  83   4.628   8.432  -7.325
  701    HA   TYR  83           HA       TYR  83   2.740   6.191  -7.297
  702   1HB   TYR  83          2HB       TYR  83   5.237   6.866  -8.799
  703   2HB   TYR  83          3HB       TYR  83   4.851   5.162  -8.560
  704    HD1  TYR  83           HD1      TYR  83   2.836   8.259  -9.262
  705    HD2  TYR  83           HD2      TYR  83   3.785   4.229 -10.401
  706    HE1  TYR  83           HE1      TYR  83   1.158   8.380 -11.080
  707    HE2  TYR  83           HE2      TYR  83   2.104   4.346 -12.217
  708    HH   TYR  83           HH       TYR  83   0.695   5.663 -13.340
  709    H    VAL  84           H        VAL  84   2.897   4.585  -5.834
  710    HA   VAL  84           HA       VAL  84   5.146   4.666  -3.956
  711    HB   VAL  84           HB       VAL  84   3.793   3.023  -2.648
  712   1HG1  VAL  84          1HG1      VAL  84   2.862   5.756  -3.401
  713   2HG1  VAL  84          2HG1      VAL  84   1.774   4.770  -2.427
  714   3HG1  VAL  84          3HG1      VAL  84   3.395   5.140  -1.838
  715   1HG2  VAL  84          1HG2      VAL  84   1.876   3.448  -4.954
  716   2HG2  VAL  84          2HG2      VAL  84   2.517   1.923  -4.352
  717   3HG2  VAL  84          3HG2      VAL  84   1.358   2.835  -3.387
  718    H    GLU  85           H        GLU  85   6.253   2.730  -3.334
  719    HA   GLU  85           HA       GLU  85   6.186   0.487  -5.207
  720   1HB   GLU  85          2HB       GLU  85   8.535   2.345  -4.832
  721   2HB   GLU  85          3HB       GLU  85   8.762   0.665  -5.314
  722   1HG   GLU  85          2HG       GLU  85   7.448   0.982  -7.307
  723   2HG   GLU  85          3HG       GLU  85   6.943   2.586  -6.788
  724    H    ILE  86           H        ILE  86   7.238  -1.368  -4.384
  725    HA   ILE  86           HA       ILE  86   7.598  -1.275  -1.454
  726    HB   ILE  86           HB       ILE  86   6.877  -3.504  -3.372
  727   1HG1  ILE  86          2HG1      ILE  86   5.194  -3.445  -1.117
  728   2HG1  ILE  86          3HG1      ILE  86   5.437  -1.754  -1.547
  729   1HG2  ILE  86          1HG2      ILE  86   8.160  -3.644  -0.712
  730   2HG2  ILE  86          2HG2      ILE  86   6.719  -4.644  -0.893
  731   3HG2  ILE  86          3HG2      ILE  86   8.081  -4.853  -1.992
  732   1HD1  ILE  86          1HD1      ILE  86   4.727  -2.179  -3.831
  733   2HD1  ILE  86          2HD1      ILE  86   4.624  -3.911  -3.513
  734   3HD1  ILE  86          3HD1      ILE  86   3.498  -2.802  -2.733
  735    H    VAL  87           H        VAL  87   9.800  -0.272  -1.959
  736    HA   VAL  87           HA       VAL  87  11.664  -2.330  -2.982
  737    HB   VAL  87           HB       VAL  87  12.805   0.292  -2.282
  738   1HG1  VAL  87          1HG1      VAL  87  13.788  -1.705  -3.609
  739   2HG1  VAL  87          2HG1      VAL  87  12.760  -1.159  -4.933
  740   3HG1  VAL  87          3HG1      VAL  87  14.009  -0.093  -4.291
  741   1HG2  VAL  87          1HG2      VAL  87  10.625   1.082  -3.059
  742   2HG2  VAL  87          2HG2      VAL  87  11.813   1.360  -4.329
  743   3HG2  VAL  87          3HG2      VAL  87  10.694   0.001  -4.448
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  11.994  -6.593  -9.403
    2   2H    MET   1          2HT       MET   1  12.845  -8.049  -9.599
    3   3H    MET   1          3HT       MET   1  13.588  -6.724  -8.842
    4    HA   MET   1           HA       MET   1  11.478  -8.506  -7.808
    5   1HB   MET   1          2HB       MET   1  12.979  -8.698  -5.915
    6   2HB   MET   1          3HB       MET   1  13.921  -8.950  -7.385
    7   1HG   MET   1          2HG       MET   1  14.548  -6.504  -7.302
    8   2HG   MET   1          3HG       MET   1  13.771  -6.422  -5.721
    9   1HE   MET   1          1HE       MET   1  16.486  -7.551  -7.933
   10   2HE   MET   1          2HE       MET   1  17.845  -7.876  -6.860
   11   3HE   MET   1          3HE       MET   1  17.165  -6.252  -6.940
   12    H    ARG   2           H        ARG   2  11.389  -5.506  -8.634
   13    HA   ARG   2           HA       ARG   2  10.490  -4.417  -6.032
   14   1HB   ARG   2          2HB       ARG   2  11.499  -3.092  -8.545
   15   2HB   ARG   2          3HB       ARG   2  10.639  -2.197  -7.293
   16   1HG   ARG   2          2HG       ARG   2  12.305  -2.875  -5.625
   17   2HG   ARG   2          3HG       ARG   2  13.152  -3.833  -6.840
   18   1HD   ARG   2          2HD       ARG   2  12.811  -0.825  -6.784
   19   2HD   ARG   2          3HD       ARG   2  14.314  -1.733  -6.664
   20    HE   ARG   2           HE       ARG   2  14.129  -2.256  -9.001
   21   1HH1  ARG   2          1HH2      ARG   2  11.298  -0.627  -7.918
   22   2HH1  ARG   2          2HH2      ARG   2  11.014   0.190  -9.418
   23   1HH2  ARG   2          1HH1      ARG   2  13.927  -0.958 -10.904
   24   2HH2  ARG   2          2HH1      ARG   2  12.501   0.003 -11.106
   25    H    ILE   3           H        ILE   3   8.706  -2.747  -6.302
   26    HA   ILE   3           HA       ILE   3   6.785  -3.371  -8.432
   27    HB   ILE   3           HB       ILE   3   5.723  -3.324  -5.629
   28   1HG1  ILE   3          2HG1      ILE   3   6.918  -5.761  -7.000
   29   2HG1  ILE   3          3HG1      ILE   3   7.514  -5.007  -5.522
   30   1HG2  ILE   3          1HG2      ILE   3   4.904  -4.816  -8.142
   31   2HG2  ILE   3          2HG2      ILE   3   3.983  -4.717  -6.642
   32   3HG2  ILE   3          3HG2      ILE   3   4.228  -3.274  -7.623
   33   1HD1  ILE   3          1HD1      ILE   3   4.973  -5.407  -4.765
   34   2HD1  ILE   3          2HD1      ILE   3   5.105  -6.712  -5.940
   35   3HD1  ILE   3          3HD1      ILE   3   6.210  -6.647  -4.568
   36    H    LYS   4           H        LYS   4   4.841  -1.811  -8.246
   37    HA   LYS   4           HA       LYS   4   5.431   0.654  -6.815
   38   1HB   LYS   4          2HB       LYS   4   5.064   1.901  -9.097
   39   2HB   LYS   4          3HB       LYS   4   6.667   1.313  -8.652
   40   1HG   LYS   4          2HG       LYS   4   6.552  -0.509 -10.128
   41   2HG   LYS   4          3HG       LYS   4   4.792  -0.463 -10.200
   42   1HD   LYS   4          2HD       LYS   4   5.876   0.389 -12.285
   43   2HD   LYS   4          3HD       LYS   4   4.846   1.587 -11.506
   44   1HE   LYS   4          2HE       LYS   4   7.751   1.507 -10.773
   45   2HE   LYS   4          3HE       LYS   4   7.290   2.237 -12.311
   46   1HZ   LYS   4          1HZ       LYS   4   6.626   3.077  -9.576
   47   2HZ   LYS   4          2HZ       LYS   4   5.541   3.437 -10.832
   48   3HZ   LYS   4          3HZ       LYS   4   7.137   4.013 -10.894
   49    H    GLY   5           H        GLY   5   3.638   1.335  -5.973
   50   1HA   GLY   5          1HA       GLY   5   1.045   0.738  -7.260
   51   2HA   GLY   5          2HA       GLY   5   1.280   1.017  -5.535
   52    H    VAL   6           H        VAL   6  -0.626   2.535  -6.260
   53    HA   VAL   6           HA       VAL   6   0.550   5.214  -6.589
   54    HB   VAL   6           HB       VAL   6  -1.915   4.314  -8.105
   55   1HG1  VAL   6          1HG1      VAL   6  -2.192   6.602  -7.858
   56   2HG1  VAL   6          2HG1      VAL   6  -0.459   6.906  -7.718
   57   3HG1  VAL   6          3HG1      VAL   6  -1.174   6.582  -9.298
   58   1HG2  VAL   6          1HG2      VAL   6   0.981   4.603  -8.906
   59   2HG2  VAL   6          2HG2      VAL   6  -0.114   3.258  -9.217
   60   3HG2  VAL   6          3HG2      VAL   6  -0.313   4.776 -10.090
   61    H    VAL   7           H        VAL   7  -0.361   6.742  -5.351
   62    HA   VAL   7           HA       VAL   7  -2.097   5.967  -3.222
   63    HB   VAL   7           HB       VAL   7  -1.035   8.652  -4.126
   64   1HG1  VAL   7          1HG1      VAL   7  -2.947   9.287  -2.932
   65   2HG1  VAL   7          2HG1      VAL   7  -2.874   7.880  -1.871
   66   3HG1  VAL   7          3HG1      VAL   7  -1.734   9.207  -1.655
   67   1HG2  VAL   7          1HG2      VAL   7   0.733   7.302  -3.285
   68   2HG2  VAL   7          2HG2      VAL   7   0.254   8.314  -1.923
   69   3HG2  VAL   7          3HG2      VAL   7  -0.278   6.634  -2.004
   70    H    LEU   8           H        LEU   8  -4.216   6.517  -2.826
   71    HA   LEU   8           HA       LEU   8  -5.773   7.388  -5.180
   72   1HB   LEU   8          2HB       LEU   8  -6.473   5.685  -2.786
   73   2HB   LEU   8          3HB       LEU   8  -7.700   6.348  -3.864
   74    HG   LEU   8           HG       LEU   8  -5.375   4.874  -5.057
   75   1HD1  LEU   8          1HD1      LEU   8  -7.580   3.703  -3.415
   76   2HD1  LEU   8          2HD1      LEU   8  -7.111   2.857  -4.890
   77   3HD1  LEU   8          3HD1      LEU   8  -5.918   3.150  -3.626
   78   1HD2  LEU   8          1HD2      LEU   8  -6.782   4.653  -6.888
   79   2HD2  LEU   8          2HD2      LEU   8  -8.241   4.635  -5.899
   80   3HD2  LEU   8          3HD2      LEU   8  -7.407   6.157  -6.211
   81    H    SER   9           H        SER   9  -5.727   7.658  -1.626
   82    HA   SER   9           HA       SER   9  -6.175  10.491  -1.686
   83   1HB   SER   9          2HB       SER   9  -8.483   9.429  -2.162
   84   2HB   SER   9          3HB       SER   9  -8.436   8.896  -0.486
   85    HG   SER   9           HG       SER   9  -9.009  11.315  -1.485
   86    H    TYR  10           H        TYR  10  -6.081  11.430   0.432
   87    HA   TYR  10           HA       TYR  10  -4.789   9.639   2.376
   88   1HB   TYR  10          2HB       TYR  10  -3.488  11.393   3.009
   89   2HB   TYR  10          3HB       TYR  10  -3.941  12.041   1.436
   90    HD1  TYR  10           HD1      TYR  10  -5.598  13.838   1.236
   91    HD2  TYR  10           HD2      TYR  10  -4.516  12.227   5.072
   92    HE1  TYR  10           HE1      TYR  10  -6.697  15.757   2.357
   93    HE2  TYR  10           HE2      TYR  10  -5.618  14.146   6.189
   94    HH   TYR  10           HH       TYR  10  -6.264  16.453   5.666
   95    H    ARG  11           H        ARG  11  -5.788   9.041   4.169
   96    HA   ARG  11           HA       ARG  11  -8.409  10.174   4.790
   97   1HB   ARG  11          2HB       ARG  11  -6.916   7.697   5.555
   98   2HB   ARG  11          3HB       ARG  11  -8.174   8.290   6.640
   99   1HG   ARG  11          2HG       ARG  11  -9.743   8.363   4.671
  100   2HG   ARG  11          3HG       ARG  11  -8.487   7.582   3.708
  101   1HD   ARG  11          2HD       ARG  11 -10.073   5.914   4.580
  102   2HD   ARG  11          3HD       ARG  11  -8.472   5.672   5.272
  103    HE   ARG  11           HE       ARG  11 -10.234   7.342   6.868
  104   1HH1  ARG  11          1HH1      ARG  11  -8.005   4.979   7.219
  105   2HH1  ARG  11          2HH1      ARG  11  -8.912   3.960   8.286
  106   1HH2  ARG  11          1HH2      ARG  11 -11.894   5.657   7.797
  107   2HH2  ARG  11          2HH2      ARG  11 -11.114   4.345   8.614
  108    H    ARG  12           H        ARG  12  -8.944  10.973   6.873
  109    HA   ARG  12           HA       ARG  12  -6.621  11.973   8.399
  110   1HB   ARG  12          2HB       ARG  12  -8.096  13.677   7.187
  111   2HB   ARG  12          3HB       ARG  12  -9.350  13.257   8.355
  112   1HG   ARG  12          2HG       ARG  12  -7.454  13.663  10.129
  113   2HG   ARG  12          3HG       ARG  12  -6.692  14.581   8.831
  114   1HD   ARG  12          2HD       ARG  12  -8.011  16.142  10.076
  115   2HD   ARG  12          3HD       ARG  12  -8.882  15.833   8.578
  116    HE   ARG  12           HE       ARG  12  -9.625  14.184  10.878
  117   1HH1  ARG  12          1HH2      ARG  12 -10.132  17.182   9.246
  118   2HH1  ARG  12          2HH2      ARG  12 -11.837  17.221   9.548
  119   1HH2  ARG  12          1HH1      ARG  12 -11.898  14.126  11.110
  120   2HH2  ARG  12          2HH1      ARG  12 -12.837  15.492  10.605
  121    H    SER  13           H        SER  13  -6.766   9.864   9.475
  122    HA   SER  13           HA       SER  13  -8.874   8.846  10.914
  123   1HB   SER  13          2HB       SER  13  -6.943   7.522  10.883
  124   2HB   SER  13          3HB       SER  13  -5.909   8.846  11.407
  125    HG   SER  13           HG       SER  13  -6.878   8.722  13.444
  126    H    LYS  14           H        LYS  14  -9.186   8.855  13.315
  127    HA   LYS  14           HA       LYS  14  -8.579  11.436  14.588
  128   1HB   LYS  14          2HB       LYS  14 -11.043  11.369  15.419
  129   2HB   LYS  14          3HB       LYS  14 -10.719  11.970  13.795
  130   1HG   LYS  14          2HG       LYS  14 -11.596  10.085  12.767
  131   2HG   LYS  14          3HG       LYS  14 -11.217   9.035  14.133
  132   1HD   LYS  14          2HD       LYS  14 -13.002  10.179  15.454
  133   2HD   LYS  14          3HD       LYS  14 -13.423  11.113  14.018
  134   1HE   LYS  14          2HE       LYS  14 -13.353   8.094  13.972
  135   2HE   LYS  14          3HE       LYS  14 -14.797   8.978  14.468
  136   1HZ   LYS  14          1HZ       LYS  14 -13.913   8.444  11.878
  137   2HZ   LYS  14          2HZ       LYS  14 -13.800  10.123  12.110
  138   3HZ   LYS  14          3HZ       LYS  14 -15.281   9.326  12.353
  139    H    GLU  15           H        GLU  15  -7.095  10.002  15.740
  140    HA   GLU  15           HA       GLU  15  -8.406   8.804  18.078
  141   1HB   GLU  15          2HB       GLU  15  -6.544   7.382  16.186
  142   2HB   GLU  15          3HB       GLU  15  -6.660   6.903  17.879
  143   1HG   GLU  15          2HG       GLU  15  -8.985   6.383  17.671
  144   2HG   GLU  15          3HG       GLU  15  -9.093   7.175  16.103
  145    H    ASN  16           H        ASN  16  -5.202   9.317  16.581
  146    HA   ASN  16           HA       ASN  16  -3.946   9.759  19.144
  147   1HB   ASN  16          2HB       ASN  16  -2.730  10.342  16.446
  148   2HB   ASN  16          3HB       ASN  16  -1.909   9.919  17.947
  149   1HD2  ASN  16          2HD2      ASN  16  -1.544   8.439  15.486
  150   2HD2  ASN  16          1HD2      ASN  16  -2.166   6.878  15.729
  151    H    GLN  17           H        GLN  17  -2.106  11.771  18.314
  152    HA   GLN  17           HA       GLN  17  -3.778  14.159  18.714
  153   1HB   GLN  17          2HB       GLN  17  -0.880  13.526  19.282
  154   2HB   GLN  17          3HB       GLN  17  -1.490  15.176  19.300
  155   1HG   GLN  17          2HG       GLN  17  -1.675  14.475  21.549
  156   2HG   GLN  17          3HG       GLN  17  -3.306  14.313  20.909
  157   1HE2  GLN  17          2HE2      GLN  17  -1.257  11.846  19.656
  158   2HE2  GLN  17          1HE2      GLN  17  -1.716  10.619  20.729
  159    H    HIS  18           H        HIS  18  -2.182  12.532  16.257
  160    HA   HIS  18           HA       HIS  18  -2.405  14.788  14.451
  161   1HB   HIS  18          2HB       HIS  18  -0.157  15.182  15.355
  162   2HB   HIS  18          3HB       HIS  18   0.294  13.512  15.018
  163    HD1  HIS  18           HD1      HIS  18  -0.884  16.615  13.130
  164    HD2  HIS  18           HD2      HIS  18   1.328  13.143  12.474
  165    HE1  HIS  18           HE1      HIS  18   0.048  16.790  10.780
  166    H    ASN  19           H        ASN  19  -3.331  12.033  15.108
  167    HA   ASN  19           HA       ASN  19  -2.546   9.986  13.574
  168   1HB   ASN  19          2HB       ASN  19  -5.097   9.530  13.285
  169   2HB   ASN  19          3HB       ASN  19  -4.411   9.576  14.908
  170   1HD2  ASN  19          2HD2      ASN  19  -5.352  12.234  12.648
  171   2HD2  ASN  19          1HD2      ASN  19  -6.384  13.001  13.755
  172    H    ASN  20           H        ASN  20  -2.920   9.202  11.460
  173    HA   ASN  20           HA       ASN  20  -4.378  10.621   9.482
  174   1HB   ASN  20          2HB       ASN  20  -2.122  11.972   9.959
  175   2HB   ASN  20          3HB       ASN  20  -1.472  10.778   8.840
  176   1HD2  ASN  20          2HD2      ASN  20  -4.190  13.130   9.130
  177   2HD2  ASN  20          1HD2      ASN  20  -4.277  13.458   7.467
  178    H    VAL  21           H        VAL  21  -5.019   9.114   8.135
  179    HA   VAL  21           HA       VAL  21  -3.267   6.787   7.591
  180    HB   VAL  21           HB       VAL  21  -6.288   6.997   7.728
  181   1HG1  VAL  21          1HG1      VAL  21  -4.489   4.755   6.781
  182   2HG1  VAL  21          2HG1      VAL  21  -6.146   4.481   7.313
  183   3HG1  VAL  21          3HG1      VAL  21  -5.829   5.506   5.913
  184   1HG2  VAL  21          1HG2      VAL  21  -6.135   5.664   9.661
  185   2HG2  VAL  21          2HG2      VAL  21  -4.508   5.114   9.268
  186   3HG2  VAL  21          3HG2      VAL  21  -4.767   6.764   9.838
  187    H    MET  22           H        MET  22  -3.653   5.798   5.405
  188    HA   MET  22           HA       MET  22  -4.798   7.563   3.392
  189   1HB   MET  22          2HB       MET  22  -2.765   7.716   2.054
  190   2HB   MET  22          3HB       MET  22  -2.498   8.427   3.644
  191   1HG   MET  22          2HG       MET  22  -1.540   6.188   4.366
  192   2HG   MET  22          3HG       MET  22  -1.592   5.706   2.671
  193   1HE   MET  22          1HE       MET  22  -0.117   6.190   0.999
  194   2HE   MET  22          2HE       MET  22   1.043   7.509   0.875
  195   3HE   MET  22          3HE       MET  22  -0.683   7.857   0.814
  196    H    ILE  23           H        ILE  23  -5.528   6.488   1.635
  197    HA   ILE  23           HA       ILE  23  -5.315   3.568   1.695
  198    HB   ILE  23           HB       ILE  23  -7.052   5.404   0.022
  199   1HG1  ILE  23          2HG1      ILE  23  -7.961   3.527   2.205
  200   2HG1  ILE  23          3HG1      ILE  23  -7.395   5.149   2.601
  201   1HG2  ILE  23          1HG2      ILE  23  -6.797   2.399   0.212
  202   2HG2  ILE  23          2HG2      ILE  23  -8.291   3.163  -0.328
  203   3HG2  ILE  23          3HG2      ILE  23  -6.799   3.406  -1.234
  204   1HD1  ILE  23          1HD1      ILE  23  -9.064   6.134   1.109
  205   2HD1  ILE  23          2HD1      ILE  23  -9.602   4.527   0.619
  206   3HD1  ILE  23          3HD1      ILE  23  -9.858   5.076   2.276
  207    H    ILE  24           H        ILE  24  -4.375   2.360   0.124
  208    HA   ILE  24           HA       ILE  24  -3.187   3.754  -2.191
  209    HB   ILE  24           HB       ILE  24  -1.759   1.742  -0.431
  210   1HG1  ILE  24          2HG1      ILE  24  -1.138   4.678  -0.876
  211   2HG1  ILE  24          3HG1      ILE  24  -2.039   4.078   0.516
  212   1HG2  ILE  24          1HG2      ILE  24   0.204   2.500  -1.902
  213   2HG2  ILE  24          2HG2      ILE  24  -0.985   1.448  -2.668
  214   3HG2  ILE  24          3HG2      ILE  24  -1.008   3.184  -2.985
  215   1HD1  ILE  24          1HD1      ILE  24   0.120   2.413   0.562
  216   2HD1  ILE  24          2HD1      ILE  24   0.852   3.882  -0.084
  217   3HD1  ILE  24          3HD1      ILE  24   0.023   3.921   1.471
  218    H    LYS  25           H        LYS  25  -2.698   2.367  -3.981
  219    HA   LYS  25           HA       LYS  25  -3.838  -0.334  -3.925
  220   1HB   LYS  25          2HB       LYS  25  -5.713   1.024  -4.636
  221   2HB   LYS  25          3HB       LYS  25  -4.716   1.851  -5.830
  222   1HG   LYS  25          2HG       LYS  25  -4.422  -0.201  -7.091
  223   2HG   LYS  25          3HG       LYS  25  -5.242  -1.136  -5.840
  224   1HD   LYS  25          2HD       LYS  25  -7.346  -0.159  -6.331
  225   2HD   LYS  25          3HD       LYS  25  -6.610   1.164  -7.238
  226   1HE   LYS  25          2HE       LYS  25  -6.027  -0.274  -9.056
  227   2HE   LYS  25          3HE       LYS  25  -6.373  -1.724  -8.111
  228   1HZ   LYS  25          1HZ       LYS  25  -8.136  -1.067  -9.732
  229   2HZ   LYS  25          2HZ       LYS  25  -8.426   0.311  -8.782
  230   3HZ   LYS  25          3HZ       LYS  25  -8.672  -1.240  -8.132
  231    HA   PRO  26           HA       PRO  26   0.021  -0.758  -6.140
  232   1HB   PRO  26          2HB       PRO  26  -0.651  -3.466  -6.824
  233   2HB   PRO  26          3HB       PRO  26   0.499  -2.894  -5.612
  234   1HG   PRO  26          2HG       PRO  26  -2.034  -4.089  -5.182
  235   2HG   PRO  26          3HG       PRO  26  -0.900  -3.473  -3.980
  236   1HD   PRO  26          2HD       PRO  26  -3.422  -2.341  -4.790
  237   2HD   PRO  26          3HD       PRO  26  -2.310  -1.766  -3.534
  238    H    LEU  27           H        LEU  27   0.675  -1.533  -8.390
  239    HA   LEU  27           HA       LEU  27  -0.761  -0.249 -10.360
  240   1HB   LEU  27          2HB       LEU  27   1.597  -1.748 -10.260
  241   2HB   LEU  27          3HB       LEU  27   0.602  -2.549 -11.476
  242    HG   LEU  27           HG       LEU  27   0.159  -0.205 -12.434
  243   1HD1  LEU  27          1HD1      LEU  27   1.141   0.832 -10.253
  244   2HD1  LEU  27          2HD1      LEU  27   2.707   0.539 -11.009
  245   3HD1  LEU  27          3HD1      LEU  27   1.532   1.592 -11.795
  246   1HD2  LEU  27          1HD2      LEU  27   2.128  -0.291 -13.792
  247   2HD2  LEU  27          2HD2      LEU  27   3.055  -1.087 -12.520
  248   3HD2  LEU  27          3HD2      LEU  27   1.768  -1.959 -13.352
  249    H    ASP  28           H        ASP  28  -0.518  -3.803 -10.492
  250    HA   ASP  28           HA       ASP  28  -3.229  -3.836 -11.609
  251   1HB   ASP  28          2HB       ASP  28  -2.688  -6.299 -12.021
  252   2HB   ASP  28          3HB       ASP  28  -1.787  -5.107 -12.964
  253    H    VAL  29           H        VAL  29  -1.814  -6.519  -9.801
  254    HA   VAL  29           HA       VAL  29  -2.850  -7.852  -8.212
  255    HB   VAL  29           HB       VAL  29  -2.999  -5.097  -6.946
  256   1HG1  VAL  29          1HG1      VAL  29  -3.850  -7.768  -6.006
  257   2HG1  VAL  29          2HG1      VAL  29  -2.790  -6.906  -4.892
  258   3HG1  VAL  29          3HG1      VAL  29  -4.306  -6.170  -5.415
  259   1HG2  VAL  29          1HG2      VAL  29  -0.968  -6.038  -5.723
  260   2HG2  VAL  29          2HG2      VAL  29  -0.976  -7.350  -6.901
  261   3HG2  VAL  29          3HG2      VAL  29  -0.726  -5.688  -7.434
  262    H    ASN  30           H        ASN  30  -4.483  -7.667 -10.161
  263    HA   ASN  30           HA       ASN  30  -7.022  -6.479  -9.431
  264   1HB   ASN  30          2HB       ASN  30  -7.671  -7.539 -11.683
  265   2HB   ASN  30          3HB       ASN  30  -6.491  -6.239 -11.708
  266   1HD2  ASN  30          2HD2      ASN  30  -5.069  -6.818 -13.376
  267   2HD2  ASN  30          1HD2      ASN  30  -4.304  -8.327 -13.497
  268    H    SER  31           H        SER  31  -6.189  -8.470  -7.626
  269    HA   SER  31           HA       SER  31  -8.475 -10.233  -7.732
  270   1HB   SER  31          2HB       SER  31  -5.682 -11.382  -7.860
  271   2HB   SER  31          3HB       SER  31  -7.143 -12.311  -7.543
  272    HG   SER  31           HG       SER  31  -6.408 -10.889  -9.879
  273    H    ARG  32           H        ARG  32  -9.229 -10.496  -5.750
  274    HA   ARG  32           HA       ARG  32  -7.969  -9.383  -3.481
  275   1HB   ARG  32          2HB       ARG  32 -10.402  -9.714  -3.600
  276   2HB   ARG  32          3HB       ARG  32 -10.172 -11.460  -3.638
  277   1HG   ARG  32          2HG       ARG  32  -9.131 -11.396  -1.414
  278   2HG   ARG  32          3HG       ARG  32  -9.297  -9.639  -1.371
  279   1HD   ARG  32          2HD       ARG  32 -11.104 -10.817  -0.115
  280   2HD   ARG  32          3HD       ARG  32 -11.722  -9.822  -1.430
  281    HE   ARG  32           HE       ARG  32 -11.350 -12.369  -2.488
  282   1HH1  ARG  32          1HH2      ARG  32 -12.656 -11.759   0.568
  283   2HH1  ARG  32          2HH2      ARG  32 -14.194 -12.488   0.250
  284   1HH2  ARG  32          1HH1      ARG  32 -13.574 -12.942  -3.130
  285   2HH2  ARG  32          2HH1      ARG  32 -14.714 -13.157  -1.844
  286    H    GLU  33           H        GLU  33  -7.768 -12.465  -5.042
  287    HA   GLU  33           HA       GLU  33  -6.765 -14.045  -2.924
  288   1HB   GLU  33          2HB       GLU  33  -6.425 -14.175  -5.926
  289   2HB   GLU  33          3HB       GLU  33  -5.739 -15.378  -4.837
  290   1HG   GLU  33          2HG       GLU  33  -8.048 -15.717  -3.883
  291   2HG   GLU  33          3HG       GLU  33  -8.667 -14.674  -5.161
  292    H    GLU  34           H        GLU  34  -5.101 -12.223  -5.497
  293    HA   GLU  34           HA       GLU  34  -2.480 -12.658  -4.438
  294   1HB   GLU  34          2HB       GLU  34  -3.224 -11.931  -6.851
  295   2HB   GLU  34          3HB       GLU  34  -3.182 -10.305  -6.175
  296   1HG   GLU  34          2HG       GLU  34  -1.010 -10.623  -7.049
  297   2HG   GLU  34          3HG       GLU  34  -0.827 -10.910  -5.323
  298    H    ALA  35           H        ALA  35  -4.915 -10.125  -4.163
  299    HA   ALA  35           HA       ALA  35  -3.388  -8.191  -2.809
  300   1HB   ALA  35          1HB       ALA  35  -6.293  -8.643  -2.186
  301   2HB   ALA  35          2HB       ALA  35  -5.416  -7.125  -2.356
  302   3HB   ALA  35          3HB       ALA  35  -5.810  -8.079  -3.784
  303    H    SER  36           H        SER  36  -5.700 -10.527  -1.410
  304    HA   SER  36           HA       SER  36  -5.049 -10.126   1.275
  305   1HB   SER  36          2HB       SER  36  -7.016 -11.356   0.811
  306   2HB   SER  36          3HB       SER  36  -6.158 -12.499  -0.217
  307    HG   SER  36           HG       SER  36  -6.595 -13.345   1.872
  308    H    LYS  37           H        LYS  37  -3.319 -11.793  -1.218
  309    HA   LYS  37           HA       LYS  37  -1.775 -13.510   0.452
  310   1HB   LYS  37          2HB       LYS  37  -2.124 -13.804  -2.026
  311   2HB   LYS  37          3HB       LYS  37  -0.999 -12.470  -2.275
  312   1HG   LYS  37          2HG       LYS  37   0.825 -13.672  -1.461
  313   2HG   LYS  37          3HG       LYS  37  -0.188 -14.752  -0.505
  314   1HD   LYS  37          2HD       LYS  37  -0.846 -16.008  -2.396
  315   2HD   LYS  37          3HD       LYS  37  -0.323 -14.751  -3.518
  316   1HE   LYS  37          2HE       LYS  37   1.225 -16.760  -3.360
  317   2HE   LYS  37          3HE       LYS  37   1.996 -15.200  -3.077
  318   1HZ   LYS  37          1HZ       LYS  37   0.978 -16.178  -0.646
  319   2HZ   LYS  37          2HZ       LYS  37   2.592 -15.876  -1.072
  320   3HZ   LYS  37          3HZ       LYS  37   1.903 -17.400  -1.369
  321    H    LEU  38           H        LEU  38  -0.758 -10.574  -1.340
  322    HA   LEU  38           HA       LEU  38   1.646 -10.377   0.230
  323   1HB   LEU  38          2HB       LEU  38   2.352  -8.868  -1.323
  324   2HB   LEU  38          3HB       LEU  38   1.060  -9.593  -2.270
  325    HG   LEU  38           HG       LEU  38   0.901  -7.019  -0.665
  326   1HD1  LEU  38          1HD1      LEU  38   0.608  -7.544  -3.633
  327   2HD1  LEU  38          2HD1      LEU  38   0.587  -5.972  -2.838
  328   3HD1  LEU  38          3HD1      LEU  38   2.071  -6.922  -2.871
  329   1HD2  LEU  38          1HD2      LEU  38  -1.186  -8.816  -1.765
  330   2HD2  LEU  38          2HD2      LEU  38  -1.295  -7.624  -0.469
  331   3HD2  LEU  38          3HD2      LEU  38  -1.379  -7.107  -2.152
  332    H    ILE  39           H        ILE  39  -1.379  -9.829   1.161
  333    HA   ILE  39           HA       ILE  39  -1.572  -7.259   2.184
  334    HB   ILE  39           HB       ILE  39  -3.321  -9.101   2.278
  335   1HG1  ILE  39          2HG1      ILE  39  -2.721  -7.504   4.789
  336   2HG1  ILE  39          3HG1      ILE  39  -3.649  -6.947   3.398
  337   1HG2  ILE  39          1HG2      ILE  39  -1.638 -10.699   3.419
  338   2HG2  ILE  39          2HG2      ILE  39  -2.015  -9.826   4.904
  339   3HG2  ILE  39          3HG2      ILE  39  -3.288 -10.685   4.037
  340   1HD1  ILE  39          1HD1      ILE  39  -5.079  -9.124   3.900
  341   2HD1  ILE  39          2HD1      ILE  39  -4.408  -8.922   5.516
  342   3HD1  ILE  39          3HD1      ILE  39  -5.369  -7.633   4.793
  343    H    GLY  40           H        GLY  40  -0.638  -6.156   3.817
  344   1HA   GLY  40          1HA       GLY  40   0.574  -5.755   5.762
  345   2HA   GLY  40          2HA       GLY  40   0.759  -7.493   5.976
  346    H    ARG  41           H        ARG  41   1.553  -6.024   2.927
  347    HA   ARG  41           HA       ARG  41   4.246  -6.993   3.024
  348   1HB   ARG  41          2HB       ARG  41   4.420  -5.570   0.871
  349   2HB   ARG  41          3HB       ARG  41   3.308  -6.941   0.869
  350   1HG   ARG  41          2HG       ARG  41   1.414  -5.578   1.025
  351   2HG   ARG  41          3HG       ARG  41   2.320  -4.229   1.712
  352   1HD   ARG  41          2HD       ARG  41   3.004  -3.471  -0.329
  353   2HD   ARG  41          3HD       ARG  41   3.136  -5.089  -1.007
  354    HE   ARG  41           HE       ARG  41   0.483  -4.853  -0.805
  355   1HH1  ARG  41          1HH2      ARG  41   1.816  -4.409  -3.461
  356   2HH1  ARG  41          2HH2      ARG  41   1.248  -2.834  -3.899
  357   1HH2  ARG  41          1HH1      ARG  41   0.202  -2.028  -0.696
  358   2HH2  ARG  41          2HH1      ARG  41   0.333  -1.485  -2.335
  359    H    LEU  42           H        LEU  42   6.091  -5.440   2.410
  360    HA   LEU  42           HA       LEU  42   6.019  -3.189   4.311
  361   1HB   LEU  42          2HB       LEU  42   7.812  -4.769   4.712
  362   2HB   LEU  42          3HB       LEU  42   8.334  -4.667   3.031
  363    HG   LEU  42           HG       LEU  42   8.994  -2.354   3.306
  364   1HD1  LEU  42          1HD1      LEU  42   7.372  -1.389   4.716
  365   2HD1  LEU  42          2HD1      LEU  42   7.572  -2.630   5.951
  366   3HD1  LEU  42          3HD1      LEU  42   8.818  -1.404   5.722
  367   1HD2  LEU  42          1HD2      LEU  42  10.599  -4.077   4.085
  368   2HD2  LEU  42          2HD2      LEU  42  10.747  -2.589   5.023
  369   3HD2  LEU  42          3HD2      LEU  42   9.903  -3.981   5.704
  370    H    VAL  43           H        VAL  43   5.506  -1.301   3.414
  371    HA   VAL  43           HA       VAL  43   6.078  -0.772   0.597
  372    HB   VAL  43           HB       VAL  43   4.661   1.134   0.835
  373   1HG1  VAL  43          1HG1      VAL  43   3.396  -0.842   2.727
  374   2HG1  VAL  43          2HG1      VAL  43   2.639   0.096   1.439
  375   3HG1  VAL  43          3HG1      VAL  43   3.682  -1.269   1.040
  376   1HG2  VAL  43          1HG2      VAL  43   3.739   1.596   3.243
  377   2HG2  VAL  43          2HG2      VAL  43   5.197   0.761   3.780
  378   3HG2  VAL  43          3HG2      VAL  43   5.327   2.228   2.809
  379    H    LEU  44           H        LEU  44   7.882   0.151  -0.039
  380    HA   LEU  44           HA       LEU  44   9.307   1.942   1.832
  381   1HB   LEU  44          2HB       LEU  44  10.392  -0.339   1.375
  382   2HB   LEU  44          3HB       LEU  44  10.688   0.264  -0.256
  383    HG   LEU  44           HG       LEU  44  11.517   1.821   2.202
  384   1HD1  LEU  44          1HD1      LEU  44  13.161  -0.173   0.612
  385   2HD1  LEU  44          2HD1      LEU  44  13.775   0.871   1.894
  386   3HD1  LEU  44          3HD1      LEU  44  12.605  -0.395   2.271
  387   1HD2  LEU  44          1HD2      LEU  44  11.951   1.981  -0.759
  388   2HD2  LEU  44          2HD2      LEU  44  11.682   3.279   0.406
  389   3HD2  LEU  44          3HD2      LEU  44  13.264   2.505   0.296
  390    H    TRP  45           H        TRP  45   8.618   3.823   1.081
  391    HA   TRP  45           HA       TRP  45   8.780   4.497  -1.782
  392   1HB   TRP  45          2HB       TRP  45   6.657   4.973  -0.715
  393   2HB   TRP  45          3HB       TRP  45   7.456   5.804   0.613
  394    HD1  TRP  45           HD1      TRP  45   6.739   6.215  -3.156
  395    HE1  TRP  45           HE1      TRP  45   6.730   8.740  -3.705
  396    HE3  TRP  45           HE3      TRP  45   8.252   8.106   1.350
  397    HZ2  TRP  45           HZ2      TRP  45   7.325  11.217  -2.410
  398    HZ3  TRP  45           HZ3      TRP  45   8.518  10.547   1.658
  399    HH2  TRP  45           HH2      TRP  45   8.057  12.105  -0.212
  400    H    LYS  46           H        LYS  46  10.761   5.237  -2.337
  401    HA   LYS  46           HA       LYS  46  12.469   6.574  -0.425
  402   1HB   LYS  46          2HB       LYS  46  14.099   6.584  -2.280
  403   2HB   LYS  46          3HB       LYS  46  13.443   4.978  -1.985
  404   1HG   LYS  46          2HG       LYS  46  11.667   5.773  -3.818
  405   2HG   LYS  46          3HG       LYS  46  13.002   6.813  -4.303
  406   1HD   LYS  46          2HD       LYS  46  14.409   4.589  -4.103
  407   2HD   LYS  46          3HD       LYS  46  12.838   3.817  -4.310
  408   1HE   LYS  46          2HE       LYS  46  13.652   4.045  -6.517
  409   2HE   LYS  46          3HE       LYS  46  12.546   5.407  -6.332
  410   1HZ   LYS  46          1HZ       LYS  46  14.679   6.604  -5.505
  411   2HZ   LYS  46          2HZ       LYS  46  14.398   6.430  -7.171
  412   3HZ   LYS  46          3HZ       LYS  46  15.483   5.391  -6.374
  413    H    SER  47           H        SER  47  11.926   8.621   0.063
  414    HA   SER  47           HA       SER  47  10.651  10.444  -1.684
  415   1HB   SER  47          2HB       SER  47  12.373  11.414   0.561
  416   2HB   SER  47          3HB       SER  47  10.786  11.973   0.051
  417    HG   SER  47           HG       SER  47  10.538   9.443   0.729
  418    HA   PRO  48           HA       PRO  48  13.983  12.243  -3.934
  419   1HB   PRO  48          2HB       PRO  48  13.348  15.012  -3.433
  420   2HB   PRO  48          3HB       PRO  48  12.929  14.031  -4.844
  421   1HG   PRO  48          2HG       PRO  48  11.146  15.005  -2.973
  422   2HG   PRO  48          3HG       PRO  48  10.831  13.685  -4.109
  423   1HD   PRO  48          2HD       PRO  48  11.472  13.556  -1.198
  424   2HD   PRO  48          3HD       PRO  48  10.498  12.452  -2.196
  425    H    SER  49           H        SER  49  13.562  13.671  -0.727
  426    HA   SER  49           HA       SER  49  16.191  14.861  -0.645
  427   1HB   SER  49          2HB       SER  49  15.607  15.252   1.764
  428   2HB   SER  49          3HB       SER  49  14.436  15.906   0.624
  429    HG   SER  49           HG       SER  49  13.146  14.793   1.909
  430    H    GLY  50           H        GLY  50  15.808  11.852  -1.047
  431   1HA   GLY  50          1HA       GLY  50  17.073   9.993  -0.536
  432   2HA   GLY  50          2HA       GLY  50  18.073  11.022   0.482
  433    H    LYS  51           H        LYS  51  15.135  11.669   1.620
  434    HA   LYS  51           HA       LYS  51  15.434  10.036   3.960
  435   1HB   LYS  51          2HB       LYS  51  14.444  12.413   3.780
  436   2HB   LYS  51          3HB       LYS  51  12.974  11.621   3.220
  437   1HG   LYS  51          2HG       LYS  51  12.922  10.261   5.286
  438   2HG   LYS  51          3HG       LYS  51  14.383  11.075   5.850
  439   1HD   LYS  51          2HD       LYS  51  13.128  13.268   5.626
  440   2HD   LYS  51          3HD       LYS  51  11.669  12.320   5.341
  441   1HE   LYS  51          2HE       LYS  51  11.527  12.601   7.637
  442   2HE   LYS  51          3HE       LYS  51  12.434  11.089   7.567
  443   1HZ   LYS  51          1HZ       LYS  51  13.227  13.542   8.667
  444   2HZ   LYS  51          2HZ       LYS  51  14.250  13.204   7.353
  445   3HZ   LYS  51          3HZ       LYS  51  14.091  12.083   8.621
  446    H    ILE  52           H        ILE  52  15.153   7.875   3.576
  447    HA   ILE  52           HA       ILE  52  12.997   6.921   1.888
  448    HB   ILE  52           HB       ILE  52  14.825   5.278   3.644
  449   1HG1  ILE  52          2HG1      ILE  52  16.249   6.675   2.259
  450   2HG1  ILE  52          3HG1      ILE  52  16.217   5.064   1.549
  451   1HG2  ILE  52          1HG2      ILE  52  13.353   4.657   1.066
  452   2HG2  ILE  52          2HG2      ILE  52  14.333   3.528   2.003
  453   3HG2  ILE  52          3HG2      ILE  52  12.828   4.158   2.674
  454   1HD1  ILE  52          1HD1      ILE  52  14.595   7.461   0.637
  455   2HD1  ILE  52          2HD1      ILE  52  15.939   6.714  -0.223
  456   3HD1  ILE  52          3HD1      ILE  52  14.428   5.832  -0.018
  457    H    LEU  53           H        LEU  53  10.988   6.916   2.628
  458    HA   LEU  53           HA       LEU  53  10.490   6.341   5.477
  459   1HB   LEU  53          2HB       LEU  53   8.568   7.354   3.365
  460   2HB   LEU  53          3HB       LEU  53   8.259   7.233   5.098
  461    HG   LEU  53           HG       LEU  53  10.398   8.967   3.820
  462   1HD1  LEU  53          1HD1      LEU  53   7.909   9.867   5.280
  463   2HD1  LEU  53          2HD1      LEU  53   8.988  10.833   4.274
  464   3HD1  LEU  53          3HD1      LEU  53   7.929   9.633   3.532
  465   1HD2  LEU  53          1HD2      LEU  53  11.185   8.400   5.980
  466   2HD2  LEU  53          2HD2      LEU  53  10.355   9.935   6.226
  467   3HD2  LEU  53          3HD2      LEU  53   9.561   8.426   6.672
  468    H    LYS  54           H        LYS  54   9.220   4.602   6.114
  469    HA   LYS  54           HA       LYS  54   8.038   2.881   4.098
  470   1HB   LYS  54          2HB       LYS  54   9.286   0.977   5.484
  471   2HB   LYS  54          3HB       LYS  54  10.004   1.723   4.062
  472   1HG   LYS  54          2HG       LYS  54  11.337   3.201   5.406
  473   2HG   LYS  54          3HG       LYS  54  10.462   2.749   6.872
  474   1HD   LYS  54          2HD       LYS  54  11.305   0.409   6.599
  475   2HD   LYS  54          3HD       LYS  54  12.262   0.950   5.220
  476   1HE   LYS  54          2HE       LYS  54  13.782   1.056   7.027
  477   2HE   LYS  54          3HE       LYS  54  13.231   2.721   6.848
  478   1HZ   LYS  54          1HZ       LYS  54  11.565   1.121   8.564
  479   2HZ   LYS  54          2HZ       LYS  54  12.211   2.672   8.813
  480   3HZ   LYS  54          3HZ       LYS  54  13.152   1.295   9.139
  481    H    GLY  55           H        GLY  55   6.061   2.512   4.822
  482   1HA   GLY  55          1HA       GLY  55   5.563   2.355   7.728
  483   2HA   GLY  55          2HA       GLY  55   4.353   2.722   6.502
  484    H    LYS  56           H        LYS  56   2.972   1.049   7.219
  485    HA   LYS  56           HA       LYS  56   3.629  -1.559   6.107
  486   1HB   LYS  56          2HB       LYS  56   4.436  -1.425   8.576
  487   2HB   LYS  56          3HB       LYS  56   2.719  -1.501   8.973
  488   1HG   LYS  56          2HG       LYS  56   3.215  -3.759   8.943
  489   2HG   LYS  56          3HG       LYS  56   2.764  -3.529   7.254
  490   1HD   LYS  56          2HD       LYS  56   5.070  -3.367   6.577
  491   2HD   LYS  56          3HD       LYS  56   5.616  -3.289   8.251
  492   1HE   LYS  56          2HE       LYS  56   5.495  -5.588   6.736
  493   2HE   LYS  56          3HE       LYS  56   5.549  -5.539   8.496
  494   1HZ   LYS  56          1HZ       LYS  56   3.691  -6.870   7.500
  495   2HZ   LYS  56          2HZ       LYS  56   3.020  -5.407   6.954
  496   3HZ   LYS  56          3HZ       LYS  56   3.211  -5.688   8.619
  497    H    ILE  57           H        ILE  57   1.869  -2.436   5.197
  498    HA   ILE  57           HA       ILE  57  -0.639  -1.101   5.223
  499    HB   ILE  57           HB       ILE  57   0.309  -3.764   4.169
  500   1HG1  ILE  57          2HG1      ILE  57  -0.856  -1.319   2.800
  501   2HG1  ILE  57          3HG1      ILE  57   0.871  -1.580   3.035
  502   1HG2  ILE  57          1HG2      ILE  57  -1.928  -4.313   4.713
  503   2HG2  ILE  57          2HG2      ILE  57  -2.511  -2.693   4.333
  504   3HG2  ILE  57          3HG2      ILE  57  -2.023  -3.782   3.036
  505   1HD1  ILE  57          1HD1      ILE  57   0.837  -2.693   1.074
  506   2HD1  ILE  57          2HD1      ILE  57  -0.013  -3.979   1.928
  507   3HD1  ILE  57          3HD1      ILE  57  -0.924  -2.749   1.054
  508    H    VAL  58           H        VAL  58  -2.616  -1.719   6.199
  509    HA   VAL  58           HA       VAL  58  -2.240  -3.401   8.599
  510    HB   VAL  58           HB       VAL  58  -4.498  -2.168   9.209
  511   1HG1  VAL  58          1HG1      VAL  58  -2.876  -0.150   9.896
  512   2HG1  VAL  58          2HG1      VAL  58  -2.784  -1.725  10.684
  513   3HG1  VAL  58          3HG1      VAL  58  -1.643  -1.312   9.404
  514   1HG2  VAL  58          1HG2      VAL  58  -4.518  -1.099   6.870
  515   2HG2  VAL  58          2HG2      VAL  58  -4.754  -0.008   8.234
  516   3HG2  VAL  58          3HG2      VAL  58  -3.183  -0.096   7.437
  517    H    ARG  59           H        ARG  59  -4.479  -2.821   5.878
  518    HA   ARG  59           HA       ARG  59  -5.249  -5.586   5.901
  519   1HB   ARG  59          2HB       ARG  59  -7.774  -4.851   6.152
  520   2HB   ARG  59          3HB       ARG  59  -6.797  -5.243   7.564
  521   1HG   ARG  59          2HG       ARG  59  -6.350  -2.897   7.983
  522   2HG   ARG  59          3HG       ARG  59  -7.135  -2.435   6.473
  523   1HD   ARG  59          2HD       ARG  59  -8.572  -2.123   8.521
  524   2HD   ARG  59          3HD       ARG  59  -9.288  -3.159   7.286
  525    HE   ARG  59           HE       ARG  59  -8.394  -5.072   8.713
  526   1HH1  ARG  59          1HH1      ARG  59 -10.925  -4.120   9.855
  527   2HH1  ARG  59          2HH1      ARG  59 -10.521  -3.751  11.498
  528   1HH2  ARG  59          1HH2      ARG  59  -7.106  -3.650  10.913
  529   2HH2  ARG  59          2HH2      ARG  59  -8.358  -3.484  12.097
  530    H    VAL  60           H        VAL  60  -6.596  -6.193   4.172
  531    HA   VAL  60           HA       VAL  60  -6.431  -4.372   1.882
  532    HB   VAL  60           HB       VAL  60  -5.590  -6.718   1.689
  533   1HG1  VAL  60          1HG1      VAL  60  -8.432  -7.679   1.650
  534   2HG1  VAL  60          2HG1      VAL  60  -6.951  -8.582   1.967
  535   3HG1  VAL  60          3HG1      VAL  60  -7.612  -7.512   3.202
  536   1HG2  VAL  60          1HG2      VAL  60  -6.101  -5.904  -0.417
  537   2HG2  VAL  60          2HG2      VAL  60  -7.220  -7.263  -0.342
  538   3HG2  VAL  60          3HG2      VAL  60  -7.796  -5.628  -0.019
  539    H    HIS  61           H        HIS  61  -8.145  -3.106   1.475
  540    HA   HIS  61           HA       HIS  61 -10.858  -4.231   1.832
  541   1HB   HIS  61          2HB       HIS  61  -9.661  -1.906   3.237
  542   2HB   HIS  61          3HB       HIS  61 -11.290  -1.675   2.614
  543    HD1  HIS  61           HD1      HIS  61  -9.912  -4.929   3.994
  544    HD2  HIS  61           HD2      HIS  61 -12.698  -2.003   5.016
  545    HE1  HIS  61           HE1      HIS  61 -11.151  -5.802   6.021
  546    H    GLY  62           H        GLY  62 -12.017  -3.959   0.033
  547   1HA   GLY  62          1HA       GLY  62 -12.907  -2.007  -1.383
  548   2HA   GLY  62          2HA       GLY  62 -11.226  -1.839  -1.870
  549    H    THR  63           H        THR  63 -11.159  -4.945  -1.612
  550    HA   THR  63           HA       THR  63 -11.154  -6.694  -3.089
  551    HB   THR  63           HB       THR  63 -13.262  -7.189  -4.242
  552    HG1  THR  63           HG1      THR  63 -14.369  -5.542  -4.859
  553   1HG2  THR  63          1HG2      THR  63 -14.670  -7.319  -2.261
  554   2HG2  THR  63          2HG2      THR  63 -12.996  -7.627  -1.801
  555   3HG2  THR  63          3HG2      THR  63 -13.727  -6.056  -1.470
  556    H    LYS  64           H        LYS  64 -11.176  -7.332  -5.434
  557    HA   LYS  64           HA       LYS  64 -10.489  -7.007  -7.609
  558   1HB   LYS  64          2HB       LYS  64 -12.432  -5.272  -7.480
  559   2HB   LYS  64          3HB       LYS  64 -11.140  -4.076  -7.387
  560   1HG   LYS  64          2HG       LYS  64 -10.194  -4.879  -9.493
  561   2HG   LYS  64          3HG       LYS  64 -11.404  -6.163  -9.572
  562   1HD   LYS  64          2HD       LYS  64 -13.200  -4.537  -9.771
  563   2HD   LYS  64          3HD       LYS  64 -12.074  -3.204  -9.518
  564   1HE   LYS  64          2HE       LYS  64 -12.734  -3.704 -11.950
  565   2HE   LYS  64          3HE       LYS  64 -11.010  -3.561 -11.614
  566   1HZ   LYS  64          1HZ       LYS  64 -10.752  -5.877 -11.639
  567   2HZ   LYS  64          2HZ       LYS  64 -11.727  -5.531 -12.984
  568   3HZ   LYS  64          3HZ       LYS  64 -12.421  -6.161 -11.567
  569    H    GLY  65           H        GLY  65  -9.356  -5.183  -4.992
  570   1HA   GLY  65          1HA       GLY  65  -6.844  -5.301  -4.824
  571   2HA   GLY  65          2HA       GLY  65  -6.863  -4.411  -6.350
  572    H    ALA  66           H        ALA  66  -6.502  -4.048  -3.161
  573    HA   ALA  66           HA       ALA  66  -6.451  -1.271  -3.089
  574   1HB   ALA  66          1HB       ALA  66  -8.804  -1.084  -3.292
  575   2HB   ALA  66          2HB       ALA  66  -9.089  -2.468  -2.236
  576   3HB   ALA  66          3HB       ALA  66  -8.508  -0.945  -1.560
  577    H    VAL  67           H        VAL  67  -5.723  -0.530  -1.013
  578    HA   VAL  67           HA       VAL  67  -5.750  -2.384   1.220
  579    HB   VAL  67           HB       VAL  67  -3.207  -2.287   1.406
  580   1HG1  VAL  67          1HG1      VAL  67  -2.938  -4.276   0.158
  581   2HG1  VAL  67          2HG1      VAL  67  -4.653  -4.258   0.572
  582   3HG1  VAL  67          3HG1      VAL  67  -4.129  -3.787  -1.045
  583   1HG2  VAL  67          1HG2      VAL  67  -3.543  -1.482  -1.500
  584   2HG2  VAL  67          2HG2      VAL  67  -2.816  -0.507  -0.224
  585   3HG2  VAL  67          3HG2      VAL  67  -2.022  -1.984  -0.763
  586    H    ARG  68           H        ARG  68  -5.530  -1.394   3.136
  587    HA   ARG  68           HA       ARG  68  -5.294   1.527   3.150
  588   1HB   ARG  68          2HB       ARG  68  -7.153   0.514   4.399
  589   2HB   ARG  68          3HB       ARG  68  -6.010  -0.439   5.346
  590   1HG   ARG  68          2HG       ARG  68  -4.991   1.653   6.206
  591   2HG   ARG  68          3HG       ARG  68  -6.163   2.594   5.283
  592   1HD   ARG  68          2HD       ARG  68  -6.841   0.588   7.458
  593   2HD   ARG  68          3HD       ARG  68  -6.872   2.340   7.640
  594    HE   ARG  68           HE       ARG  68  -8.530   1.870   5.511
  595   1HH1  ARG  68          1HH2      ARG  68  -8.937   2.302   8.721
  596   2HH1  ARG  68          2HH2      ARG  68 -10.345   1.315   8.914
  597   1HH2  ARG  68          1HH1      ARG  68 -10.093  -0.118   5.765
  598   2HH2  ARG  68          2HH1      ARG  68 -11.002  -0.059   7.238
  599    H    ALA  69           H        ALA  69  -3.687   2.614   4.351
  600    HA   ALA  69           HA       ALA  69  -1.600   0.985   5.615
  601   1HB   ALA  69          1HB       ALA  69  -0.799   1.128   3.343
  602   2HB   ALA  69          2HB       ALA  69  -1.101   2.865   3.299
  603   3HB   ALA  69          3HB       ALA  69   0.169   2.217   4.336
  604    H    ARG  70           H        ARG  70  -0.066   2.239   6.834
  605    HA   ARG  70           HA       ARG  70  -0.762   5.014   7.429
  606   1HB   ARG  70          2HB       ARG  70  -2.075   3.307   8.934
  607   2HB   ARG  70          3HB       ARG  70  -0.518   3.111   9.742
  608   1HG   ARG  70          2HG       ARG  70  -0.477   5.703   9.839
  609   2HG   ARG  70          3HG       ARG  70  -2.201   5.602   9.485
  610   1HD   ARG  70          2HD       ARG  70  -1.899   5.682  11.897
  611   2HD   ARG  70          3HD       ARG  70  -2.473   4.079  11.446
  612    HE   ARG  70           HE       ARG  70   0.000   3.439  11.558
  613   1HH1  ARG  70          1HH1      ARG  70   0.040   6.532  12.615
  614   2HH1  ARG  70          2HH1      ARG  70   0.543   6.212  14.243
  615   1HH2  ARG  70          1HH2      ARG  70   0.030   2.792  14.012
  616   2HH2  ARG  70          2HH2      ARG  70   0.537   4.096  15.031
  617    H    PHE  71           H        PHE  71   1.030   6.169   7.831
  618    HA   PHE  71           HA       PHE  71   3.588   4.745   7.949
  619   1HB   PHE  71          2HB       PHE  71   2.808   7.604   7.402
  620   2HB   PHE  71          3HB       PHE  71   4.485   7.132   7.673
  621    HD1  PHE  71           HD1      PHE  71   1.493   5.989   5.695
  622    HD2  PHE  71           HD2      PHE  71   5.756   6.533   5.811
  623    HE1  PHE  71           HE1      PHE  71   1.659   5.199   3.348
  624    HE2  PHE  71           HE2      PHE  71   5.915   5.745   3.463
  625    HZ   PHE  71           HZ       PHE  71   3.869   5.079   2.234
  626    H    GLU  72           H        GLU  72   5.027   4.879   9.580
  627    HA   GLU  72           HA       GLU  72   4.091   5.295  12.209
  628   1HB   GLU  72          2HB       GLU  72   6.643   5.261  12.716
  629   2HB   GLU  72          3HB       GLU  72   5.893   3.811  12.046
  630   1HG   GLU  72          2HG       GLU  72   6.787   4.182   9.906
  631   2HG   GLU  72          3HG       GLU  72   7.065   5.895  10.212
  632    H    LYS  73           H        LYS  73   4.652   7.560   9.909
  633    HA   LYS  73           HA       LYS  73   4.822   9.693  11.880
  634   1HB   LYS  73          2HB       LYS  73   7.213   9.025  11.289
  635   2HB   LYS  73          3HB       LYS  73   6.875   9.630   9.667
  636   1HG   LYS  73          2HG       LYS  73   6.124  11.804  10.783
  637   2HG   LYS  73          3HG       LYS  73   6.841  11.179  12.267
  638   1HD   LYS  73          2HD       LYS  73   8.420  11.273   9.695
  639   2HD   LYS  73          3HD       LYS  73   8.320  12.682  10.750
  640   1HE   LYS  73          2HE       LYS  73   9.212  11.365  12.627
  641   2HE   LYS  73          3HE       LYS  73   9.284   9.931  11.601
  642   1HZ   LYS  73          1HZ       LYS  73  10.824  12.447  11.305
  643   2HZ   LYS  73          2HZ       LYS  73  10.751  11.255  10.093
  644   3HZ   LYS  73          3HZ       LYS  73  11.431  10.893  11.607
  645    H    GLY  74           H        GLY  74   5.360   9.314   8.361
  646   1HA   GLY  74          1HA       GLY  74   3.139   9.905   7.119
  647   2HA   GLY  74          2HA       GLY  74   3.409  11.466   7.889
  648    H    LEU  75           H        LEU  75   3.301  11.840   5.388
  649    HA   LEU  75           HA       LEU  75   5.907  11.450   4.104
  650   1HB   LEU  75          2HB       LEU  75   3.402  12.690   2.949
  651   2HB   LEU  75          3HB       LEU  75   4.816  12.123   2.061
  652    HG   LEU  75           HG       LEU  75   3.316  10.216   3.841
  653   1HD1  LEU  75          1HD1      LEU  75   2.575  10.986   1.001
  654   2HD1  LEU  75          2HD1      LEU  75   1.929   9.591   1.871
  655   3HD1  LEU  75          3HD1      LEU  75   1.586  11.223   2.443
  656   1HD2  LEU  75          1HD2      LEU  75   4.357   9.400   1.200
  657   2HD2  LEU  75          2HD2      LEU  75   5.592   9.992   2.310
  658   3HD2  LEU  75          3HD2      LEU  75   4.564   8.638   2.777
  659    HA   PRO  76           HA       PRO  76   7.195  15.627   4.624
  660   1HB   PRO  76          2HB       PRO  76   8.242  15.961   1.957
  661   2HB   PRO  76          3HB       PRO  76   9.121  15.556   3.438
  662   1HG   PRO  76          2HG       PRO  76   8.740  13.864   1.292
  663   2HG   PRO  76          3HG       PRO  76   9.180  13.363   2.932
  664   1HD   PRO  76          2HD       PRO  76   6.524  13.244   1.574
  665   2HD   PRO  76          3HD       PRO  76   7.213  12.166   2.805
  666    H    GLY  77           H        GLY  77   5.372  16.904   4.812
  667   1HA   GLY  77          1HA       GLY  77   3.629  18.305   4.205
  668   2HA   GLY  77          2HA       GLY  77   4.856  18.987   3.143
  669    H    GLN  78           H        GLN  78   4.408  19.002   1.037
  670    HA   GLN  78           HA       GLN  78   2.035  17.664   0.053
  671   1HB   GLN  78          2HB       GLN  78   3.005  20.034  -0.572
  672   2HB   GLN  78          3HB       GLN  78   3.958  19.109  -1.733
  673   1HG   GLN  78          2HG       GLN  78   0.933  19.068  -1.490
  674   2HG   GLN  78          3HG       GLN  78   1.855  19.873  -2.760
  675   1HE2  GLN  78          2HE2      GLN  78   0.287  16.962  -1.972
  676   2HE2  GLN  78          1HE2      GLN  78   0.994  15.976  -3.160
  677    H    ALA  79           H        ALA  79   2.073  15.619  -0.592
  678    HA   ALA  79           HA       ALA  79   4.146  14.694  -2.409
  679   1HB   ALA  79          1HB       ALA  79   4.885  14.274   0.044
  680   2HB   ALA  79          2HB       ALA  79   3.657  13.007   0.030
  681   3HB   ALA  79          3HB       ALA  79   4.999  12.948  -1.113
  682    H    LEU  80           H        LEU  80   1.012  14.969  -1.768
  683    HA   LEU  80           HA       LEU  80  -0.021  12.350  -2.167
  684   1HB   LEU  80          2HB       LEU  80  -1.280  14.328  -1.206
  685   2HB   LEU  80          3HB       LEU  80  -1.395  14.954  -2.850
  686    HG   LEU  80           HG       LEU  80  -2.281  12.478  -3.334
  687   1HD1  LEU  80          1HD1      LEU  80  -3.815  11.909  -1.343
  688   2HD1  LEU  80          2HD1      LEU  80  -2.101  11.529  -1.169
  689   3HD1  LEU  80          3HD1      LEU  80  -2.769  12.964  -0.393
  690   1HD2  LEU  80          1HD2      LEU  80  -4.589  13.362  -3.018
  691   2HD2  LEU  80          2HD2      LEU  80  -3.925  14.709  -2.091
  692   3HD2  LEU  80          3HD2      LEU  80  -3.531  14.535  -3.802
  693    H    GLY  81           H        GLY  81   0.187  11.175  -3.942
  694   1HA   GLY  81          1HA       GLY  81  -0.561  10.976  -6.288
  695   2HA   GLY  81          2HA       GLY  81   0.200  12.532  -6.576
  696    H    ASP  82           H        ASP  82   2.317  11.303  -4.519
  697    HA   ASP  82           HA       ASP  82   4.207  10.595  -6.521
  698   1HB   ASP  82          2HB       ASP  82   4.151  10.585  -3.520
  699   2HB   ASP  82          3HB       ASP  82   5.441   9.724  -4.357
  700    H    TYR  83           H        TYR  83   4.636   8.640  -7.390
  701    HA   TYR  83           HA       TYR  83   2.892   6.444  -6.886
  702   1HB   TYR  83          2HB       TYR  83   5.358   6.890  -8.537
  703   2HB   TYR  83          3HB       TYR  83   4.838   5.233  -8.228
  704    HD1  TYR  83           HD1      TYR  83   3.631   4.352 -10.020
  705    HD2  TYR  83           HD2      TYR  83   3.042   8.468  -8.929
  706    HE1  TYR  83           HE1      TYR  83   1.894   4.569 -11.776
  707    HE2  TYR  83           HE2      TYR  83   1.305   8.682 -10.686
  708    HH   TYR  83           HH       TYR  83   0.883   7.289 -13.034
  709    H    VAL  84           H        VAL  84   3.137   4.723  -5.539
  710    HA   VAL  84           HA       VAL  84   5.342   4.878  -3.627
  711    HB   VAL  84           HB       VAL  84   4.065   3.054  -2.447
  712   1HG1  VAL  84          1HG1      VAL  84   2.068   4.624  -1.938
  713   2HG1  VAL  84          2HG1      VAL  84   3.692   5.237  -1.625
  714   3HG1  VAL  84          3HG1      VAL  84   2.828   5.731  -3.082
  715   1HG2  VAL  84          1HG2      VAL  84   1.798   3.710  -4.327
  716   2HG2  VAL  84          2HG2      VAL  84   2.915   2.394  -4.689
  717   3HG2  VAL  84          3HG2      VAL  84   1.951   2.349  -3.215
  718    H    GLU  85           H        GLU  85   6.433   2.844  -3.009
  719    HA   GLU  85           HA       GLU  85   6.580   0.824  -5.117
  720   1HB   GLU  85          2HB       GLU  85   8.929   2.536  -4.255
  721   2HB   GLU  85          3HB       GLU  85   9.088   1.033  -5.155
  722   1HG   GLU  85          2HG       GLU  85   9.072   2.548  -6.905
  723   2HG   GLU  85          3HG       GLU  85   7.356   2.180  -6.789
  724    H    ILE  86           H        ILE  86   7.328  -1.129  -4.372
  725    HA   ILE  86           HA       ILE  86   7.611  -1.288  -1.443
  726    HB   ILE  86           HB       ILE  86   6.893  -3.359  -3.542
  727   1HG1  ILE  86          2HG1      ILE  86   4.926  -3.356  -1.641
  728   2HG1  ILE  86          3HG1      ILE  86   5.424  -1.665  -1.598
  729   1HG2  ILE  86          1HG2      ILE  86   7.915  -4.797  -2.083
  730   2HG2  ILE  86          2HG2      ILE  86   7.872  -3.640  -0.756
  731   3HG2  ILE  86          3HG2      ILE  86   6.434  -4.580  -1.152
  732   1HD1  ILE  86          1HD1      ILE  86   4.344  -3.239  -3.939
  733   2HD1  ILE  86          2HD1      ILE  86   3.735  -1.731  -3.257
  734   3HD1  ILE  86          3HD1      ILE  86   5.241  -1.739  -4.177
  735    H    VAL  87           H        VAL  87   9.843  -0.353  -1.817
  736    HA   VAL  87           HA       VAL  87  11.705  -2.296  -3.007
  737    HB   VAL  87           HB       VAL  87  12.706   0.212  -1.746
  738   1HG1  VAL  87          1HG1      VAL  87  14.156   0.150  -3.725
  739   2HG1  VAL  87          2HG1      VAL  87  14.170  -1.423  -2.927
  740   3HG1  VAL  87          3HG1      VAL  87  13.218  -1.185  -4.392
  741   1HG2  VAL  87          1HG2      VAL  87  11.183   0.146  -4.376
  742   2HG2  VAL  87          2HG2      VAL  87  10.603   0.911  -2.901
  743   3HG2  VAL  87          3HG2      VAL  87  12.038   1.537  -3.710
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  13.692  -7.765  -6.491
    2   2H    MET   1          2HT       MET   1  13.026  -9.233  -5.950
    3   3H    MET   1          3HT       MET   1  12.681  -7.787  -5.129
    4    HA   MET   1           HA       MET   1  12.003  -7.702  -7.925
    5   1HB   MET   1          2HB       MET   1  10.842  -9.774  -6.062
    6   2HB   MET   1          3HB       MET   1   9.865  -9.077  -7.354
    7   1HG   MET   1          2HG       MET   1  12.600 -10.125  -8.006
    8   2HG   MET   1          3HG       MET   1  11.276 -11.267  -7.788
    9   1HE   MET   1          1HE       MET   1   8.910 -10.859 -10.529
   10   2HE   MET   1          2HE       MET   1   8.624  -9.911  -9.072
   11   3HE   MET   1          3HE       MET   1   9.358 -11.507  -8.944
   12    H    ARG   2           H        ARG   2  11.382  -5.621  -7.783
   13    HA   ARG   2           HA       ARG   2   9.832  -4.716  -5.457
   14   1HB   ARG   2          2HB       ARG   2  10.243  -2.453  -6.304
   15   2HB   ARG   2          3HB       ARG   2  11.763  -3.338  -6.176
   16   1HG   ARG   2          2HG       ARG   2  11.649  -3.873  -8.592
   17   2HG   ARG   2          3HG       ARG   2  10.142  -2.966  -8.715
   18   1HD   ARG   2          2HD       ARG   2  11.504  -0.996  -7.707
   19   2HD   ARG   2          3HD       ARG   2  12.918  -1.937  -8.174
   20    HE   ARG   2           HE       ARG   2  12.119  -1.801 -10.490
   21   1HH1  ARG   2          1HH1      ARG   2   9.285  -0.982 -10.075
   22   2HH1  ARG   2          2HH1      ARG   2   9.327   0.719 -10.397
   23   1HH2  ARG   2          1HH2      ARG   2  12.764   0.975 -10.046
   24   2HH2  ARG   2          2HH2      ARG   2  11.290   1.826 -10.371
   25    H    ILE   3           H        ILE   3   8.029  -3.128  -6.026
   26    HA   ILE   3           HA       ILE   3   6.639  -3.744  -8.523
   27    HB   ILE   3           HB       ILE   3   4.972  -3.979  -6.074
   28   1HG1  ILE   3          2HG1      ILE   3   6.663  -6.273  -7.128
   29   2HG1  ILE   3          3HG1      ILE   3   6.929  -5.448  -5.588
   30   1HG2  ILE   3          1HG2      ILE   3   3.685  -5.439  -7.496
   31   2HG2  ILE   3          2HG2      ILE   3   4.107  -4.013  -8.444
   32   3HG2  ILE   3          3HG2      ILE   3   4.986  -5.524  -8.682
   33   1HD1  ILE   3          1HD1      ILE   3   4.500  -7.055  -6.407
   34   2HD1  ILE   3          2HD1      ILE   3   5.641  -7.422  -5.114
   35   3HD1  ILE   3          3HD1      ILE   3   4.555  -6.039  -4.968
   36    H    LYS   4           H        LYS   4   5.199  -2.187  -9.137
   37    HA   LYS   4           HA       LYS   4   5.521   0.388  -7.855
   38   1HB   LYS   4          2HB       LYS   4   3.883  -0.378 -10.274
   39   2HB   LYS   4          3HB       LYS   4   4.326   1.256  -9.784
   40   1HG   LYS   4          2HG       LYS   4   6.779   0.413  -9.913
   41   2HG   LYS   4          3HG       LYS   4   6.115  -0.941 -10.835
   42   1HD   LYS   4          2HD       LYS   4   5.261   0.510 -12.539
   43   2HD   LYS   4          3HD       LYS   4   5.546   1.945 -11.554
   44   1HE   LYS   4          2HE       LYS   4   7.872   1.861 -11.872
   45   2HE   LYS   4          3HE       LYS   4   7.838   0.159 -12.328
   46   1HZ   LYS   4          1HZ       LYS   4   6.666   2.363 -13.933
   47   2HZ   LYS   4          2HZ       LYS   4   6.755   0.728 -14.379
   48   3HZ   LYS   4          3HZ       LYS   4   8.177   1.646 -14.234
   49    H    GLY   5           H        GLY   5   3.502   1.813  -7.796
   50   1HA   GLY   5          1HA       GLY   5   0.952   0.669  -7.227
   51   2HA   GLY   5          2HA       GLY   5   1.813   1.051  -5.736
   52    H    VAL   6           H        VAL   6  -0.440   2.402  -6.039
   53    HA   VAL   6           HA       VAL   6   0.477   5.131  -6.553
   54    HB   VAL   6           HB       VAL   6  -2.041   4.040  -7.835
   55   1HG1  VAL   6          1HG1      VAL   6  -1.934   6.237  -9.043
   56   2HG1  VAL   6          2HG1      VAL   6  -2.174   6.409  -7.305
   57   3HG1  VAL   6          3HG1      VAL   6  -0.582   6.694  -8.006
   58   1HG2  VAL   6          1HG2      VAL   6  -0.730   4.416  -9.975
   59   2HG2  VAL   6          2HG2      VAL   6   0.710   4.601  -8.976
   60   3HG2  VAL   6          3HG2      VAL   6  -0.161   3.066  -8.993
   61    H    VAL   7           H        VAL   7  -0.557   6.657  -5.390
   62    HA   VAL   7           HA       VAL   7  -2.054   5.783  -3.084
   63    HB   VAL   7           HB       VAL   7  -1.127   8.498  -4.041
   64   1HG1  VAL   7          1HG1      VAL   7  -1.640   9.045  -1.542
   65   2HG1  VAL   7          2HG1      VAL   7  -2.975   9.037  -2.695
   66   3HG1  VAL   7          3HG1      VAL   7  -2.721   7.657  -1.627
   67   1HG2  VAL   7          1HG2      VAL   7   0.280   8.106  -1.861
   68   2HG2  VAL   7          2HG2      VAL   7  -0.103   6.408  -2.140
   69   3HG2  VAL   7          3HG2      VAL   7   0.774   7.327  -3.364
   70    H    LEU   8           H        LEU   8  -4.134   6.359  -2.525
   71    HA   LEU   8           HA       LEU   8  -5.853   7.219  -4.767
   72   1HB   LEU   8          2HB       LEU   8  -6.512   5.524  -2.341
   73   2HB   LEU   8          3HB       LEU   8  -7.659   6.003  -3.591
   74    HG   LEU   8           HG       LEU   8  -5.113   4.639  -4.406
   75   1HD1  LEU   8          1HD1      LEU   8  -5.669   2.903  -3.024
   76   2HD1  LEU   8          2HD1      LEU   8  -7.347   3.422  -2.870
   77   3HD1  LEU   8          3HD1      LEU   8  -6.827   2.536  -4.303
   78   1HD2  LEU   8          1HD2      LEU   8  -6.682   5.620  -6.074
   79   2HD2  LEU   8          2HD2      LEU   8  -6.536   3.873  -6.247
   80   3HD2  LEU   8          3HD2      LEU   8  -7.959   4.564  -5.467
   81    H    SER   9           H        SER   9  -5.611   7.381  -1.193
   82    HA   SER   9           HA       SER   9  -6.218  10.192  -1.217
   83   1HB   SER   9          2HB       SER   9  -8.473   9.556  -1.496
   84   2HB   SER   9          3HB       SER   9  -8.309   8.176  -0.414
   85    HG   SER   9           HG       SER   9  -7.714  10.670   0.643
   86    H    TYR  10           H        TYR  10  -5.111  11.055   0.419
   87    HA   TYR  10           HA       TYR  10  -4.338   9.343   2.690
   88   1HB   TYR  10          2HB       TYR  10  -2.468  10.435   1.606
   89   2HB   TYR  10          3HB       TYR  10  -3.272  12.000   1.711
   90    HD1  TYR  10           HD1      TYR  10  -2.595  13.409   3.426
   91    HD2  TYR  10           HD2      TYR  10  -2.382   9.159   4.017
   92    HE1  TYR  10           HE1      TYR  10  -1.659  13.774   5.681
   93    HE2  TYR  10           HE2      TYR  10  -1.438   9.525   6.277
   94    HH   TYR  10           HH       TYR  10  -0.336  11.181   7.573
   95    H    ARG  11           H        ARG  11  -5.878   9.415   4.252
   96    HA   ARG  11           HA       ARG  11  -7.237  11.944   4.836
   97   1HB   ARG  11          2HB       ARG  11  -7.653   9.277   6.187
   98   2HB   ARG  11          3HB       ARG  11  -8.737  10.668   6.176
   99   1HG   ARG  11          2HG       ARG  11  -8.898  10.430   3.679
  100   2HG   ARG  11          3HG       ARG  11  -7.981   8.931   3.818
  101   1HD   ARG  11          2HD       ARG  11  -9.709   7.998   5.303
  102   2HD   ARG  11          3HD       ARG  11 -10.620   9.502   5.197
  103    HE   ARG  11           HE       ARG  11 -10.076   7.793   2.835
  104   1HH1  ARG  11          1HH1      ARG  11 -12.591   8.058   4.877
  105   2HH1  ARG  11          2HH1      ARG  11 -13.736   8.729   3.762
  106   1HH2  ARG  11          1HH2      ARG  11 -11.348   9.423   1.339
  107   2HH2  ARG  11          2HH2      ARG  11 -13.027   9.502   1.755
  108    H    ARG  12           H        ARG  12  -7.155  12.988   6.802
  109    HA   ARG  12           HA       ARG  12  -4.955  12.162   8.603
  110   1HB   ARG  12          2HB       ARG  12  -4.643  14.296   7.189
  111   2HB   ARG  12          3HB       ARG  12  -5.874  15.005   8.233
  112   1HG   ARG  12          2HG       ARG  12  -4.520  14.486  10.223
  113   2HG   ARG  12          3HG       ARG  12  -3.296  13.729   9.201
  114   1HD   ARG  12          2HD       ARG  12  -2.866  15.848   8.071
  115   2HD   ARG  12          3HD       ARG  12  -4.156  16.631   8.980
  116    HE   ARG  12           HE       ARG  12  -1.536  15.802  10.039
  117   1HH1  ARG  12          1HH2      ARG  12  -3.774  15.490  12.083
  118   2HH1  ARG  12          2HH2      ARG  12  -3.743  17.032  12.875
  119   1HH2  ARG  12          1HH1      ARG  12  -1.854  18.560  10.404
  120   2HH2  ARG  12          2HH1      ARG  12  -2.649  18.767  11.930
  121    H    SER  13           H        SER  13  -6.896  10.940   9.614
  122    HA   SER  13           HA       SER  13  -9.114  12.043  10.757
  123   1HB   SER  13          2HB       SER  13  -7.206  10.029  11.949
  124   2HB   SER  13          3HB       SER  13  -8.729  10.464  12.714
  125    HG   SER  13           HG       SER  13  -9.796   9.443  11.191
  126    H    LYS  14           H        LYS  14  -9.312  13.950  11.738
  127    HA   LYS  14           HA       LYS  14  -7.169  15.178  13.239
  128   1HB   LYS  14          2HB       LYS  14 -10.044  16.097  13.037
  129   2HB   LYS  14          3HB       LYS  14  -8.629  17.073  13.425
  130   1HG   LYS  14          2HG       LYS  14  -7.736  16.776  11.190
  131   2HG   LYS  14          3HG       LYS  14  -9.018  15.636  10.785
  132   1HD   LYS  14          2HD       LYS  14 -10.699  17.448  11.146
  133   2HD   LYS  14          3HD       LYS  14  -9.378  18.581  11.430
  134   1HE   LYS  14          2HE       LYS  14  -8.585  18.385   9.200
  135   2HE   LYS  14          3HE       LYS  14  -9.546  16.938   8.898
  136   1HZ   LYS  14          1HZ       LYS  14 -10.507  19.721   9.237
  137   2HZ   LYS  14          2HZ       LYS  14 -11.548  18.377   9.277
  138   3HZ   LYS  14          3HZ       LYS  14 -10.659  18.729   7.871
  139    H    GLU  15           H        GLU  15  -9.489  12.911  14.025
  140    HA   GLU  15           HA       GLU  15 -10.291  13.782  16.612
  141   1HB   GLU  15          2HB       GLU  15 -10.223  11.095  15.246
  142   2HB   GLU  15          3HB       GLU  15 -10.815  11.302  16.896
  143   1HG   GLU  15          2HG       GLU  15 -12.509  12.884  16.134
  144   2HG   GLU  15          3HG       GLU  15 -11.870  12.824  14.492
  145    H    ASN  16           H        ASN  16  -7.295  12.841  15.466
  146    HA   ASN  16           HA       ASN  16  -5.292  12.353  16.483
  147   1HB   ASN  16          2HB       ASN  16  -6.267  14.142  18.103
  148   2HB   ASN  16          3HB       ASN  16  -6.562  12.773  19.172
  149   1HD2  ASN  16          2HD2      ASN  16  -4.447  15.117  19.076
  150   2HD2  ASN  16          1HD2      ASN  16  -2.992  14.302  19.392
  151    H    GLN  17           H        GLN  17  -8.048  11.040  18.279
  152    HA   GLN  17           HA       GLN  17  -6.641   8.689  19.142
  153   1HB   GLN  17          2HB       GLN  17  -9.454   9.726  19.343
  154   2HB   GLN  17          3HB       GLN  17  -9.137   8.026  19.686
  155   1HG   GLN  17          2HG       GLN  17  -7.453  10.168  20.974
  156   2HG   GLN  17          3HG       GLN  17  -9.025   9.739  21.654
  157   1HE2  GLN  17          2HE2      GLN  17  -7.516   7.101  20.041
  158   2HE2  GLN  17          1HE2      GLN  17  -6.923   6.309  21.419
  159    H    HIS  18           H        HIS  18  -6.352   8.865  16.390
  160    HA   HIS  18           HA       HIS  18  -7.485   6.347  15.566
  161   1HB   HIS  18          2HB       HIS  18  -8.587   8.928  14.529
  162   2HB   HIS  18          3HB       HIS  18  -8.359   7.607  13.385
  163    HD1  HIS  18           HD1      HIS  18 -11.045   8.891  15.000
  164    HD2  HIS  18           HD2      HIS  18  -9.371   5.077  15.212
  165    HE1  HIS  18           HE1      HIS  18 -12.876   7.344  15.836
  166    H    ASN  19           H        ASN  19  -5.577   9.168  15.092
  167    HA   ASN  19           HA       ASN  19  -3.563   9.493  14.086
  168   1HB   ASN  19          2HB       ASN  19  -3.383   6.919  14.840
  169   2HB   ASN  19          3HB       ASN  19  -3.316   6.700  13.093
  170   1HD2  ASN  19          2HD2      ASN  19  -1.744   8.510  15.769
  171   2HD2  ASN  19          1HD2      ASN  19  -0.247   8.665  14.982
  172    H    ASN  20           H        ASN  20  -2.586   9.596  11.891
  173    HA   ASN  20           HA       ASN  20  -4.627  10.068   9.941
  174   1HB   ASN  20          2HB       ASN  20  -2.750  10.673   8.456
  175   2HB   ASN  20          3HB       ASN  20  -2.661  11.493  10.011
  176   1HD2  ASN  20          2HD2      ASN  20  -1.158  10.395  11.676
  177   2HD2  ASN  20          1HD2      ASN  20   0.232   9.627  11.081
  178    H    VAL  21           H        VAL  21  -5.352   8.814   8.339
  179    HA   VAL  21           HA       VAL  21  -4.118   6.162   8.018
  180    HB   VAL  21           HB       VAL  21  -6.815   7.147   7.057
  181   1HG1  VAL  21          1HG1      VAL  21  -5.475   4.424   7.107
  182   2HG1  VAL  21          2HG1      VAL  21  -7.200   4.650   6.823
  183   3HG1  VAL  21          3HG1      VAL  21  -6.026   5.313   5.687
  184   1HG2  VAL  21          1HG2      VAL  21  -7.740   5.930   8.934
  185   2HG2  VAL  21          2HG2      VAL  21  -6.152   5.297   9.365
  186   3HG2  VAL  21          3HG2      VAL  21  -6.499   7.012   9.570
  187    H    MET  22           H        MET  22  -3.970   5.285   5.845
  188    HA   MET  22           HA       MET  22  -3.808   7.229   3.669
  189   1HB   MET  22          2HB       MET  22  -1.611   7.252   4.857
  190   2HB   MET  22          3HB       MET  22  -1.455   5.529   4.521
  191   1HG   MET  22          2HG       MET  22  -1.331   5.884   2.179
  192   2HG   MET  22          3HG       MET  22  -1.915   7.546   2.317
  193   1HE   MET  22          1HE       MET  22  -0.002   9.196   1.470
  194   2HE   MET  22          2HE       MET  22   0.015   7.659   0.608
  195   3HE   MET  22          3HE       MET  22   1.534   8.393   1.128
  196    H    ILE  23           H        ILE  23  -4.993   6.262   2.124
  197    HA   ILE  23           HA       ILE  23  -5.105   3.363   1.939
  198    HB   ILE  23           HB       ILE  23  -6.379   5.393   0.096
  199   1HG1  ILE  23          2HG1      ILE  23  -7.387   4.165   2.686
  200   2HG1  ILE  23          3HG1      ILE  23  -7.051   5.872   2.403
  201   1HG2  ILE  23          1HG2      ILE  23  -6.202   2.922  -0.555
  202   2HG2  ILE  23          2HG2      ILE  23  -7.258   2.585   0.816
  203   3HG2  ILE  23          3HG2      ILE  23  -7.831   3.589  -0.519
  204   1HD1  ILE  23          1HD1      ILE  23  -9.302   5.923   1.986
  205   2HD1  ILE  23          2HD1      ILE  23  -8.774   5.431   0.377
  206   3HD1  ILE  23          3HD1      ILE  23  -9.363   4.224   1.517
  207    H    ILE  24           H        ILE  24  -4.117   2.128   0.436
  208    HA   ILE  24           HA       ILE  24  -2.702   3.473  -1.765
  209    HB   ILE  24           HB       ILE  24  -1.505   1.646   0.315
  210   1HG1  ILE  24          2HG1      ILE  24  -0.482   4.188  -0.991
  211   2HG1  ILE  24          3HG1      ILE  24  -1.443   4.180   0.486
  212   1HG2  ILE  24          1HG2      ILE  24   0.509   1.587  -1.254
  213   2HG2  ILE  24          2HG2      ILE  24  -0.865   0.593  -1.748
  214   3HG2  ILE  24          3HG2      ILE  24  -0.579   2.147  -2.523
  215   1HD1  ILE  24          1HD1      ILE  24   0.240   2.826   1.616
  216   2HD1  ILE  24          2HD1      ILE  24   1.190   2.719   0.133
  217   3HD1  ILE  24          3HD1      ILE  24   0.998   4.271   0.948
  218    H    LYS  25           H        LYS  25  -2.237   2.109  -3.555
  219    HA   LYS  25           HA       LYS  25  -3.465  -0.549  -3.576
  220   1HB   LYS  25          2HB       LYS  25  -5.337   0.774  -4.249
  221   2HB   LYS  25          3HB       LYS  25  -4.341   1.771  -5.306
  222   1HG   LYS  25          2HG       LYS  25  -4.028  -0.008  -6.861
  223   2HG   LYS  25          3HG       LYS  25  -4.640  -1.205  -5.725
  224   1HD   LYS  25          2HD       LYS  25  -6.887  -0.211  -5.857
  225   2HD   LYS  25          3HD       LYS  25  -6.285   1.032  -6.950
  226   1HE   LYS  25          2HE       LYS  25  -5.452  -1.157  -8.294
  227   2HE   LYS  25          3HE       LYS  25  -6.857  -1.842  -7.484
  228   1HZ   LYS  25          1HZ       LYS  25  -7.767  -0.987  -9.391
  229   2HZ   LYS  25          2HZ       LYS  25  -6.727   0.356  -9.434
  230   3HZ   LYS  25          3HZ       LYS  25  -8.006   0.304  -8.318
  231    HA   PRO  26           HA       PRO  26   0.333  -1.010  -5.908
  232   1HB   PRO  26          2HB       PRO  26  -0.444  -3.669  -6.700
  233   2HB   PRO  26          3HB       PRO  26   0.773  -3.188  -5.510
  234   1HG   PRO  26          2HG       PRO  26  -1.759  -4.345  -5.031
  235   2HG   PRO  26          3HG       PRO  26  -0.575  -3.783  -3.849
  236   1HD   PRO  26          2HD       PRO  26  -3.114  -2.583  -4.555
  237   2HD   PRO  26          3HD       PRO  26  -1.973  -2.090  -3.286
  238    H    LEU  27           H        LEU  27   0.917  -1.522  -8.183
  239    HA   LEU  27           HA       LEU  27  -0.532  -0.138 -10.034
  240   1HB   LEU  27          2HB       LEU  27   1.832  -1.367 -10.123
  241   2HB   LEU  27          3HB       LEU  27   0.901  -2.550 -11.034
  242    HG   LEU  27           HG       LEU  27   0.019  -0.594 -12.422
  243   1HD1  LEU  27          1HD1      LEU  27   0.499   1.393 -11.362
  244   2HD1  LEU  27          2HD1      LEU  27   1.988   0.774 -10.649
  245   3HD1  LEU  27          3HD1      LEU  27   1.960   1.267 -12.342
  246   1HD2  LEU  27          1HD2      LEU  27   3.001  -1.167 -12.490
  247   2HD2  LEU  27          2HD2      LEU  27   1.748  -2.182 -13.207
  248   3HD2  LEU  27          3HD2      LEU  27   2.035  -0.562 -13.838
  249    H    ASP  28           H        ASP  28  -0.370  -3.652 -10.507
  250    HA   ASP  28           HA       ASP  28  -3.143  -3.576 -11.468
  251   1HB   ASP  28          2HB       ASP  28  -2.191  -6.190 -11.710
  252   2HB   ASP  28          3HB       ASP  28  -2.330  -4.990 -12.994
  253    H    VAL  29           H        VAL  29  -1.546  -6.345  -9.909
  254    HA   VAL  29           HA       VAL  29  -2.488  -7.819  -8.370
  255    HB   VAL  29           HB       VAL  29  -2.628  -5.131  -6.960
  256   1HG1  VAL  29          1HG1      VAL  29  -3.958  -6.271  -5.488
  257   2HG1  VAL  29          2HG1      VAL  29  -3.464  -7.847  -6.105
  258   3HG1  VAL  29          3HG1      VAL  29  -2.431  -6.981  -4.966
  259   1HG2  VAL  29          1HG2      VAL  29  -0.630  -7.403  -7.056
  260   2HG2  VAL  29          2HG2      VAL  29  -0.372  -5.717  -7.502
  261   3HG2  VAL  29          3HG2      VAL  29  -0.589  -6.157  -5.808
  262    H    ASN  30           H        ASN  30  -4.193  -7.469 -10.278
  263    HA   ASN  30           HA       ASN  30  -6.702  -6.388  -9.332
  264   1HB   ASN  30          2HB       ASN  30  -6.937  -7.792 -11.834
  265   2HB   ASN  30          3HB       ASN  30  -7.120  -6.077 -11.498
  266   1HD2  ASN  30          2HD2      ASN  30  -4.361  -8.414 -11.707
  267   2HD2  ASN  30          1HD2      ASN  30  -3.372  -7.354 -12.591
  268    H    SER  31           H        SER  31  -5.888  -8.430  -7.739
  269    HA   SER  31           HA       SER  31  -8.119 -10.250  -7.967
  270   1HB   SER  31          2HB       SER  31  -5.294 -11.142  -8.421
  271   2HB   SER  31          3HB       SER  31  -6.431 -12.221  -7.617
  272    HG   SER  31           HG       SER  31  -6.974 -10.901 -10.069
  273    H    ARG  32           H        ARG  32  -8.902 -10.480  -5.992
  274    HA   ARG  32           HA       ARG  32  -7.693  -9.430  -3.685
  275   1HB   ARG  32          2HB       ARG  32 -10.178 -10.098  -4.136
  276   2HB   ARG  32          3HB       ARG  32  -9.683 -11.680  -3.539
  277   1HG   ARG  32          2HG       ARG  32  -8.725 -10.486  -1.506
  278   2HG   ARG  32          3HG       ARG  32  -9.544  -9.033  -2.082
  279   1HD   ARG  32          2HD       ARG  32 -11.109  -9.985  -0.599
  280   2HD   ARG  32          3HD       ARG  32 -11.665 -10.529  -2.181
  281    HE   ARG  32           HE       ARG  32 -10.125 -12.580  -1.537
  282   1HH1  ARG  32          1HH1      ARG  32 -12.839 -11.120  -0.058
  283   2HH1  ARG  32          2HH1      ARG  32 -12.945 -12.270   1.236
  284   1HH2  ARG  32          1HH2      ARG  32 -10.017 -13.910   0.378
  285   2HH2  ARG  32          2HH2      ARG  32 -11.355 -13.851   1.477
  286    H    GLU  33           H        GLU  33  -7.435 -12.506  -5.275
  287    HA   GLU  33           HA       GLU  33  -6.417 -14.075  -3.156
  288   1HB   GLU  33          2HB       GLU  33  -7.148 -15.056  -5.277
  289   2HB   GLU  33          3HB       GLU  33  -5.838 -14.237  -6.125
  290   1HG   GLU  33          2HG       GLU  33  -4.174 -15.500  -4.895
  291   2HG   GLU  33          3HG       GLU  33  -5.417 -16.214  -3.866
  292    H    GLU  34           H        GLU  34  -4.743 -12.164  -5.658
  293    HA   GLU  34           HA       GLU  34  -2.143 -12.588  -4.520
  294   1HB   GLU  34          2HB       GLU  34  -2.691 -11.961  -6.948
  295   2HB   GLU  34          3HB       GLU  34  -2.943 -10.322  -6.352
  296   1HG   GLU  34          2HG       GLU  34  -0.675 -10.344  -7.011
  297   2HG   GLU  34          3HG       GLU  34  -0.605 -10.558  -5.263
  298    H    ALA  35           H        ALA  35  -4.642 -10.116  -4.354
  299    HA   ALA  35           HA       ALA  35  -3.201  -8.149  -2.954
  300   1HB   ALA  35          1HB       ALA  35  -5.653  -8.195  -4.025
  301   2HB   ALA  35          2HB       ALA  35  -6.098  -8.504  -2.347
  302   3HB   ALA  35          3HB       ALA  35  -5.204  -7.042  -2.770
  303    H    SER  36           H        SER  36  -5.721 -10.257  -1.519
  304    HA   SER  36           HA       SER  36  -5.198  -9.871   1.141
  305   1HB   SER  36          2HB       SER  36  -7.034 -11.297   0.307
  306   2HB   SER  36          3HB       SER  36  -5.863 -12.529  -0.156
  307    HG   SER  36           HG       SER  36  -6.191 -13.192   1.820
  308    H    LYS  37           H        LYS  37  -3.159 -11.354  -1.172
  309    HA   LYS  37           HA       LYS  37  -1.589 -12.989   0.568
  310   1HB   LYS  37          2HB       LYS  37  -1.847 -12.843  -2.109
  311   2HB   LYS  37          3HB       LYS  37  -0.383 -11.885  -1.906
  312   1HG   LYS  37          2HG       LYS  37  -0.785 -14.655  -0.747
  313   2HG   LYS  37          3HG       LYS  37   0.070 -14.324  -2.253
  314   1HD   LYS  37          2HD       LYS  37   1.424 -12.629  -0.717
  315   2HD   LYS  37          3HD       LYS  37   0.884 -13.717   0.565
  316   1HE   LYS  37          2HE       LYS  37   1.923 -15.611  -0.491
  317   2HE   LYS  37          3HE       LYS  37   2.237 -14.687  -1.962
  318   1HZ   LYS  37          1HZ       LYS  37   3.364 -13.297   0.174
  319   2HZ   LYS  37          2HZ       LYS  37   4.163 -14.070  -1.111
  320   3HZ   LYS  37          3HZ       LYS  37   3.842 -14.917   0.326
  321    H    LEU  38           H        LEU  38  -0.713  -9.952  -1.153
  322    HA   LEU  38           HA       LEU  38   1.547  -9.551   0.576
  323   1HB   LEU  38          2HB       LEU  38   2.192  -7.932  -0.880
  324   2HB   LEU  38          3HB       LEU  38   1.031  -8.723  -1.932
  325    HG   LEU  38           HG       LEU  38   0.506  -6.265  -0.223
  326   1HD1  LEU  38          1HD1      LEU  38   0.572  -5.041  -2.250
  327   2HD1  LEU  38          2HD1      LEU  38   1.949  -6.138  -2.368
  328   3HD1  LEU  38          3HD1      LEU  38   0.458  -6.503  -3.230
  329   1HD2  LEU  38          1HD2      LEU  38  -1.618  -7.190  -0.341
  330   2HD2  LEU  38          2HD2      LEU  38  -1.585  -6.357  -1.894
  331   3HD2  LEU  38          3HD2      LEU  38  -1.258  -8.088  -1.815
  332    H    ILE  39           H        ILE  39  -1.483  -9.462   1.393
  333    HA   ILE  39           HA       ILE  39  -2.196  -7.028   2.457
  334    HB   ILE  39           HB       ILE  39  -3.544  -9.147   2.532
  335   1HG1  ILE  39          2HG1      ILE  39  -3.199  -7.797   5.231
  336   2HG1  ILE  39          3HG1      ILE  39  -4.103  -7.099   3.886
  337   1HG2  ILE  39          1HG2      ILE  39  -1.846  -9.740   4.977
  338   2HG2  ILE  39          2HG2      ILE  39  -3.152 -10.732   4.331
  339   3HG2  ILE  39          3HG2      ILE  39  -1.649 -10.550   3.424
  340   1HD1  ILE  39          1HD1      ILE  39  -4.704  -9.699   5.326
  341   2HD1  ILE  39          2HD1      ILE  39  -5.670  -8.222   5.353
  342   3HD1  ILE  39          3HD1      ILE  39  -5.538  -9.160   3.867
  343    H    GLY  40           H        GLY  40   0.544  -8.936   3.338
  344   1HA   GLY  40          1HA       GLY  40   0.897  -7.295   5.781
  345   2HA   GLY  40          2HA       GLY  40   1.398  -8.974   5.685
  346    H    ARG  41           H        ARG  41   2.019  -7.444   2.737
  347    HA   ARG  41           HA       ARG  41   4.857  -7.573   3.168
  348   1HB   ARG  41          2HB       ARG  41   3.067  -6.901   0.880
  349   2HB   ARG  41          3HB       ARG  41   4.710  -6.261   0.835
  350   1HG   ARG  41          2HG       ARG  41   4.275  -9.156   1.518
  351   2HG   ARG  41          3HG       ARG  41   4.214  -8.643  -0.165
  352   1HD   ARG  41          2HD       ARG  41   6.456  -7.887  -0.138
  353   2HD   ARG  41          3HD       ARG  41   6.526  -7.878   1.622
  354    HE   ARG  41           HE       ARG  41   6.015 -10.514   0.761
  355   1HH1  ARG  41          1HH2      ARG  41   8.352  -8.482  -0.527
  356   2HH1  ARG  41          2HH2      ARG  41   9.715  -9.433  -0.040
  357   1HH2  ARG  41          1HH1      ARG  41   7.839 -11.601   1.908
  358   2HH2  ARG  41          2HH1      ARG  41   9.425 -11.200   1.341
  359    H    LEU  42           H        LEU  42   6.191  -5.606   2.322
  360    HA   LEU  42           HA       LEU  42   5.473  -3.312   4.017
  361   1HB   LEU  42          2HB       LEU  42   7.694  -4.489   4.263
  362   2HB   LEU  42          3HB       LEU  42   8.106  -3.923   2.648
  363    HG   LEU  42           HG       LEU  42   7.122  -1.822   4.493
  364   1HD1  LEU  42          1HD1      LEU  42   8.429  -3.052   6.112
  365   2HD1  LEU  42          2HD1      LEU  42   9.739  -3.281   4.955
  366   3HD1  LEU  42          3HD1      LEU  42   9.397  -1.673   5.591
  367   1HD2  LEU  42          1HD2      LEU  42   9.741  -1.773   3.031
  368   2HD2  LEU  42          2HD2      LEU  42   8.256  -1.738   2.081
  369   3HD2  LEU  42          3HD2      LEU  42   8.569  -0.478   3.270
  370    H    VAL  43           H        VAL  43   6.213  -1.144   3.120
  371    HA   VAL  43           HA       VAL  43   5.894  -0.922   0.204
  372    HB   VAL  43           HB       VAL  43   4.220   0.881   0.486
  373   1HG1  VAL  43          1HG1      VAL  43   3.712  -1.699   0.360
  374   2HG1  VAL  43          2HG1      VAL  43   3.160  -1.476   2.022
  375   3HG1  VAL  43          3HG1      VAL  43   2.407  -0.568   0.710
  376   1HG2  VAL  43          1HG2      VAL  43   3.096   0.760   2.893
  377   2HG2  VAL  43          2HG2      VAL  43   4.709   0.247   3.384
  378   3HG2  VAL  43          3HG2      VAL  43   4.480   1.815   2.610
  379    H    LEU  44           H        LEU  44   7.925  -0.198  -0.151
  380    HA   LEU  44           HA       LEU  44   8.914   2.094   1.424
  381   1HB   LEU  44          2HB       LEU  44  10.331  -0.027   1.051
  382   2HB   LEU  44          3HB       LEU  44  10.498   0.532  -0.613
  383    HG   LEU  44           HG       LEU  44  11.142   2.305   1.754
  384   1HD1  LEU  44          1HD1      LEU  44  13.121   0.680   0.138
  385   2HD1  LEU  44          2HD1      LEU  44  13.453   1.667   1.562
  386   3HD1  LEU  44          3HD1      LEU  44  12.521   0.177   1.716
  387   1HD2  LEU  44          1HD2      LEU  44  11.545   2.401  -1.227
  388   2HD2  LEU  44          2HD2      LEU  44  10.985   3.672  -0.138
  389   3HD2  LEU  44          3HD2      LEU  44  12.691   3.230  -0.175
  390    H    TRP  45           H        TRP  45   7.986   3.825   0.560
  391    HA   TRP  45           HA       TRP  45   8.151   4.281  -2.351
  392   1HB   TRP  45          2HB       TRP  45   5.919   4.567  -1.705
  393   2HB   TRP  45          3HB       TRP  45   6.350   5.291  -0.159
  394    HD1  TRP  45           HD1      TRP  45   6.958   6.177  -3.892
  395    HE1  TRP  45           HE1      TRP  45   6.568   8.713  -4.178
  396    HE3  TRP  45           HE3      TRP  45   5.830   7.465   0.927
  397    HZ2  TRP  45           HZ2      TRP  45   5.893  10.974  -2.582
  398    HZ3  TRP  45           HZ3      TRP  45   5.316   9.827   1.505
  399    HH2  TRP  45           HH2      TRP  45   5.354  11.576  -0.242
  400    H    LYS  46           H        LYS  46   9.861   5.489  -2.956
  401    HA   LYS  46           HA       LYS  46  11.232   7.164  -1.034
  402   1HB   LYS  46          2HB       LYS  46  12.802   7.569  -2.918
  403   2HB   LYS  46          3HB       LYS  46  12.580   5.861  -2.557
  404   1HG   LYS  46          2HG       LYS  46  10.650   6.092  -4.377
  405   2HG   LYS  46          3HG       LYS  46  11.651   7.435  -4.926
  406   1HD   LYS  46          2HD       LYS  46  13.622   5.826  -4.880
  407   2HD   LYS  46          3HD       LYS  46  12.447   4.528  -4.650
  408   1HE   LYS  46          2HE       LYS  46  12.675   4.561  -6.975
  409   2HE   LYS  46          3HE       LYS  46  11.267   5.591  -6.737
  410   1HZ   LYS  46          1HZ       LYS  46  12.747   7.523  -6.782
  411   2HZ   LYS  46          2HZ       LYS  46  12.812   6.642  -8.233
  412   3HZ   LYS  46          3HZ       LYS  46  14.070   6.508  -7.096
  413    H    SER  47           H        SER  47  10.242   9.039  -0.568
  414    HA   SER  47           HA       SER  47   8.598  10.483  -2.375
  415   1HB   SER  47          2HB       SER  47   8.780  10.544   0.261
  416   2HB   SER  47          3HB       SER  47   9.940  11.830  -0.062
  417    HG   SER  47           HG       SER  47   8.358  12.967  -1.119
  418    HA   PRO  48           HA       PRO  48  11.999  12.221  -4.727
  419   1HB   PRO  48          2HB       PRO  48  10.243  14.138  -5.949
  420   2HB   PRO  48          3HB       PRO  48  10.938  12.677  -6.662
  421   1HG   PRO  48          2HG       PRO  48   8.253  13.145  -5.870
  422   2HG   PRO  48          3HG       PRO  48   8.950  11.687  -6.583
  423   1HD   PRO  48          2HD       PRO  48   8.059  12.076  -3.878
  424   2HD   PRO  48          3HD       PRO  48   8.764  10.612  -4.593
  425    H    SER  49           H        SER  49  10.088  13.671  -2.351
  426    HA   SER  49           HA       SER  49  11.220  16.332  -2.534
  427   1HB   SER  49          2HB       SER  49   8.924  15.961  -1.680
  428   2HB   SER  49          3HB       SER  49   9.582  15.066  -0.315
  429    HG   SER  49           HG       SER  49   9.947  16.914   0.596
  430    H    GLY  50           H        GLY  50  12.369  13.397  -1.450
  431   1HA   GLY  50          1HA       GLY  50  14.553  13.106  -0.565
  432   2HA   GLY  50          2HA       GLY  50  14.460  14.728   0.120
  433    H    LYS  51           H        LYS  51  12.508  11.749   0.332
  434    HA   LYS  51           HA       LYS  51  13.032  11.420   3.138
  435   1HB   LYS  51          2HB       LYS  51  11.391  13.338   3.089
  436   2HB   LYS  51          3HB       LYS  51  10.222  12.237   2.357
  437   1HG   LYS  51          2HG       LYS  51  10.179  10.834   4.280
  438   2HG   LYS  51          3HG       LYS  51  11.627  11.586   4.955
  439   1HD   LYS  51          2HD       LYS  51   9.344  13.405   4.407
  440   2HD   LYS  51          3HD       LYS  51   9.120  12.258   5.723
  441   1HE   LYS  51          2HE       LYS  51  11.582  13.999   5.488
  442   2HE   LYS  51          3HE       LYS  51  10.148  14.497   6.382
  443   1HZ   LYS  51          1HZ       LYS  51  12.079  13.217   7.556
  444   2HZ   LYS  51          2HZ       LYS  51  11.299  11.853   6.917
  445   3HZ   LYS  51          3HZ       LYS  51  10.463  12.900   7.964
  446    H    ILE  52           H        ILE  52  13.435   9.268   2.824
  447    HA   ILE  52           HA       ILE  52  11.659   7.622   1.226
  448    HB   ILE  52           HB       ILE  52  13.899   6.709   3.036
  449   1HG1  ILE  52          2HG1      ILE  52  14.754   8.435   1.506
  450   2HG1  ILE  52          3HG1      ILE  52  15.342   6.850   1.013
  451   1HG2  ILE  52          1HG2      ILE  52  13.111   5.404   0.459
  452   2HG2  ILE  52          2HG2      ILE  52  13.766   4.678   1.928
  453   3HG2  ILE  52          3HG2      ILE  52  12.073   5.168   1.864
  454   1HD1  ILE  52          1HD1      ILE  52  14.618   7.974  -0.982
  455   2HD1  ILE  52          2HD1      ILE  52  13.390   6.763  -0.616
  456   3HD1  ILE  52          3HD1      ILE  52  13.097   8.459  -0.230
  457    H    LEU  53           H        LEU  53   9.713   7.106   2.048
  458    HA   LEU  53           HA       LEU  53   9.530   6.530   4.940
  459   1HB   LEU  53          2HB       LEU  53   7.307   7.109   2.973
  460   2HB   LEU  53          3HB       LEU  53   7.127   6.885   4.714
  461    HG   LEU  53           HG       LEU  53   8.729   9.079   3.358
  462   1HD1  LEU  53          1HD1      LEU  53   6.403   9.588   5.168
  463   2HD1  LEU  53          2HD1      LEU  53   6.983  10.526   3.791
  464   3HD1  LEU  53          3HD1      LEU  53   6.066   9.041   3.527
  465   1HD2  LEU  53          1HD2      LEU  53   9.877   8.808   5.359
  466   2HD2  LEU  53          2HD2      LEU  53   8.603   9.907   5.886
  467   3HD2  LEU  53          3HD2      LEU  53   8.467   8.176   6.207
  468    H    LYS  54           H        LYS  54   8.711   4.632   5.691
  469    HA   LYS  54           HA       LYS  54   7.808   2.576   3.855
  470   1HB   LYS  54          2HB       LYS  54   9.655   1.162   5.254
  471   2HB   LYS  54          3HB       LYS  54   9.936   1.849   3.660
  472   1HG   LYS  54          2HG       LYS  54  10.993   3.794   4.574
  473   2HG   LYS  54          3HG       LYS  54  10.485   3.377   6.209
  474   1HD   LYS  54          2HD       LYS  54  12.182   1.437   4.671
  475   2HD   LYS  54          3HD       LYS  54  12.939   2.851   5.407
  476   1HE   LYS  54          2HE       LYS  54  11.928   2.222   7.591
  477   2HE   LYS  54          3HE       LYS  54  11.268   0.768   6.842
  478   1HZ   LYS  54          1HZ       LYS  54  13.272  -0.214   6.775
  479   2HZ   LYS  54          2HZ       LYS  54  13.650   0.873   8.024
  480   3HZ   LYS  54          3HZ       LYS  54  14.100   1.222   6.424
  481    H    GLY  55           H        GLY  55   5.894   2.283   4.863
  482   1HA   GLY  55          1HA       GLY  55   5.853   1.792   7.779
  483   2HA   GLY  55          2HA       GLY  55   4.458   2.244   6.798
  484    H    LYS  56           H        LYS  56   3.140   0.480   7.228
  485    HA   LYS  56           HA       LYS  56   3.871  -1.977   5.861
  486   1HB   LYS  56          2HB       LYS  56   4.739  -2.105   8.278
  487   2HB   LYS  56          3HB       LYS  56   3.041  -2.200   8.744
  488   1HG   LYS  56          2HG       LYS  56   2.719  -4.249   7.623
  489   2HG   LYS  56          3HG       LYS  56   4.153  -4.028   6.618
  490   1HD   LYS  56          2HD       LYS  56   5.626  -4.476   8.423
  491   2HD   LYS  56          3HD       LYS  56   4.348  -4.273   9.621
  492   1HE   LYS  56          2HE       LYS  56   4.030  -6.404   7.543
  493   2HE   LYS  56          3HE       LYS  56   5.135  -6.693   8.888
  494   1HZ   LYS  56          1HZ       LYS  56   3.442  -6.980  10.273
  495   2HZ   LYS  56          2HZ       LYS  56   2.413  -7.008   8.920
  496   3HZ   LYS  56          3HZ       LYS  56   2.674  -5.558   9.768
  497    H    ILE  57           H        ILE  57   2.134  -3.070   5.120
  498    HA   ILE  57           HA       ILE  57  -0.415  -1.789   5.133
  499    HB   ILE  57           HB       ILE  57   0.474  -4.519   4.156
  500   1HG1  ILE  57          2HG1      ILE  57  -0.327  -2.079   2.562
  501   2HG1  ILE  57          3HG1      ILE  57   1.337  -2.330   3.093
  502   1HG2  ILE  57          1HG2      ILE  57  -2.162  -3.041   3.876
  503   2HG2  ILE  57          2HG2      ILE  57  -1.713  -4.433   2.890
  504   3HG2  ILE  57          3HG2      ILE  57  -1.905  -4.607   4.635
  505   1HD1  ILE  57          1HD1      ILE  57   1.112  -3.248   0.867
  506   2HD1  ILE  57          2HD1      ILE  57   1.274  -4.587   2.004
  507   3HD1  ILE  57          3HD1      ILE  57  -0.309  -4.173   1.346
  508    H    VAL  58           H        VAL  58  -2.229  -2.255   6.272
  509    HA   VAL  58           HA       VAL  58  -1.890  -4.129   8.510
  510    HB   VAL  58           HB       VAL  58  -3.998  -2.740   9.307
  511   1HG1  VAL  58          1HG1      VAL  58  -1.785  -2.815  10.420
  512   2HG1  VAL  58          2HG1      VAL  58  -1.167  -1.635   9.263
  513   3HG1  VAL  58          3HG1      VAL  58  -2.430  -1.175  10.403
  514   1HG2  VAL  58          1HG2      VAL  58  -2.596  -0.602   7.722
  515   2HG2  VAL  58          2HG2      VAL  58  -3.857  -1.559   6.942
  516   3HG2  VAL  58          3HG2      VAL  58  -4.232  -0.608   8.378
  517    H    ARG  59           H        ARG  59  -4.105  -3.374   5.827
  518    HA   ARG  59           HA       ARG  59  -5.144  -6.046   5.918
  519   1HB   ARG  59          2HB       ARG  59  -7.591  -5.080   6.191
  520   2HB   ARG  59          3HB       ARG  59  -6.628  -5.530   7.595
  521   1HG   ARG  59          2HG       ARG  59  -6.021  -3.257   8.032
  522   2HG   ARG  59          3HG       ARG  59  -6.637  -2.720   6.467
  523   1HD   ARG  59          2HD       ARG  59  -8.877  -2.936   7.126
  524   2HD   ARG  59          3HD       ARG  59  -8.492  -4.065   8.422
  525    HE   ARG  59           HE       ARG  59  -8.250  -1.141   8.521
  526   1HH1  ARG  59          1HH1      ARG  59  -7.495  -4.191   9.997
  527   2HH1  ARG  59          2HH1      ARG  59  -7.439  -3.543  11.602
  528   1HH2  ARG  59          1HH2      ARG  59  -8.264  -0.325  10.633
  529   2HH2  ARG  59          2HH2      ARG  59  -7.862  -1.362  11.960
  530    H    VAL  60           H        VAL  60  -6.638  -6.516   4.179
  531    HA   VAL  60           HA       VAL  60  -6.241  -4.675   1.919
  532    HB   VAL  60           HB       VAL  60  -5.576  -7.092   1.716
  533   1HG1  VAL  60          1HG1      VAL  60  -8.525  -7.669   1.485
  534   2HG1  VAL  60          2HG1      VAL  60  -7.191  -8.804   1.674
  535   3HG1  VAL  60          3HG1      VAL  60  -7.700  -7.808   3.037
  536   1HG2  VAL  60          1HG2      VAL  60  -5.809  -6.167  -0.392
  537   2HG2  VAL  60          2HG2      VAL  60  -7.133  -7.327  -0.472
  538   3HG2  VAL  60          3HG2      VAL  60  -7.462  -5.638  -0.092
  539    H    HIS  61           H        HIS  61  -7.832  -3.372   1.315
  540    HA   HIS  61           HA       HIS  61 -10.620  -4.281   1.583
  541   1HB   HIS  61          2HB       HIS  61  -9.412  -1.845   2.853
  542   2HB   HIS  61          3HB       HIS  61 -11.091  -1.807   2.325
  543    HD1  HIS  61           HD1      HIS  61  -8.998  -4.434   4.158
  544    HD2  HIS  61           HD2      HIS  61 -12.660  -2.472   4.492
  545    HE1  HIS  61           HE1      HIS  61 -10.120  -5.363   6.232
  546    H    GLY  62           H        GLY  62 -11.825  -3.791  -0.169
  547   1HA   GLY  62          1HA       GLY  62 -12.385  -1.965  -1.804
  548   2HA   GLY  62          2HA       GLY  62 -10.658  -1.918  -2.140
  549    H    THR  63           H        THR  63 -10.903  -5.023  -1.655
  550    HA   THR  63           HA       THR  63 -10.875  -6.852  -3.038
  551    HB   THR  63           HB       THR  63 -12.897  -7.041  -4.576
  552    HG1  THR  63           HG1      THR  63 -14.168  -5.007  -3.299
  553   1HG2  THR  63          1HG2      THR  63 -14.410  -7.376  -2.689
  554   2HG2  THR  63          2HG2      THR  63 -12.785  -7.891  -2.237
  555   3HG2  THR  63          3HG2      THR  63 -13.409  -6.342  -1.671
  556    H    LYS  64           H        LYS  64 -10.861  -7.536  -5.467
  557    HA   LYS  64           HA       LYS  64  -9.879  -7.338  -7.545
  558   1HB   LYS  64          2HB       LYS  64 -11.481  -5.470  -7.918
  559   2HB   LYS  64          3HB       LYS  64 -10.319  -4.352  -7.201
  560   1HG   LYS  64          2HG       LYS  64  -8.729  -4.717  -8.955
  561   2HG   LYS  64          3HG       LYS  64  -9.612  -6.118  -9.560
  562   1HD   LYS  64          2HD       LYS  64  -9.974  -4.095 -10.971
  563   2HD   LYS  64          3HD       LYS  64 -11.476  -4.681 -10.249
  564   1HE   LYS  64          2HE       LYS  64 -11.489  -2.964  -8.610
  565   2HE   LYS  64          3HE       LYS  64  -9.799  -2.563  -8.902
  566   1HZ   LYS  64          1HZ       LYS  64 -11.394  -2.338 -11.264
  567   2HZ   LYS  64          2HZ       LYS  64 -10.350  -1.205 -10.546
  568   3HZ   LYS  64          3HZ       LYS  64 -11.958  -1.337 -10.016
  569    H    GLY  65           H        GLY  65  -8.841  -4.679  -5.415
  570   1HA   GLY  65          1HA       GLY  65  -6.355  -5.527  -4.761
  571   2HA   GLY  65          2HA       GLY  65  -6.128  -4.713  -6.308
  572    H    ALA  66           H        ALA  66  -5.990  -4.266  -3.132
  573    HA   ALA  66           HA       ALA  66  -5.579  -1.514  -3.148
  574   1HB   ALA  66          1HB       ALA  66  -7.708  -0.929  -1.770
  575   2HB   ALA  66          2HB       ALA  66  -7.839  -1.005  -3.525
  576   3HB   ALA  66          3HB       ALA  66  -8.406  -2.355  -2.538
  577    H    VAL  67           H        VAL  67  -5.250  -0.690  -0.916
  578    HA   VAL  67           HA       VAL  67  -5.506  -2.589   1.251
  579    HB   VAL  67           HB       VAL  67  -3.012  -2.496   1.754
  580   1HG1  VAL  67          1HG1      VAL  67  -4.398  -4.428   0.645
  581   2HG1  VAL  67          2HG1      VAL  67  -3.525  -3.969  -0.817
  582   3HG1  VAL  67          3HG1      VAL  67  -2.639  -4.508   0.611
  583   1HG2  VAL  67          1HG2      VAL  67  -2.340  -0.735   0.252
  584   2HG2  VAL  67          2HG2      VAL  67  -1.595  -2.232  -0.316
  585   3HG2  VAL  67          3HG2      VAL  67  -3.017  -1.590  -1.134
  586    H    ARG  68           H        ARG  68  -5.346  -1.679   3.231
  587    HA   ARG  68           HA       ARG  68  -5.274   1.246   3.315
  588   1HB   ARG  68          2HB       ARG  68  -7.021  -0.325   4.498
  589   2HB   ARG  68          3HB       ARG  68  -5.747  -0.528   5.700
  590   1HG   ARG  68          2HG       ARG  68  -5.673   1.844   6.141
  591   2HG   ARG  68          3HG       ARG  68  -6.725   2.192   4.769
  592   1HD   ARG  68          2HD       ARG  68  -7.534   0.579   7.209
  593   2HD   ARG  68          3HD       ARG  68  -7.951   2.268   6.930
  594    HE   ARG  68           HE       ARG  68  -8.779   0.751   4.700
  595   1HH1  ARG  68          1HH1      ARG  68 -10.067   2.475   7.187
  596   2HH1  ARG  68          2HH1      ARG  68 -11.480   1.503   7.420
  597   1HH2  ARG  68          1HH2      ARG  68 -10.385  -1.063   5.364
  598   2HH2  ARG  68          2HH2      ARG  68 -11.658  -0.493   6.392
  599    H    ALA  69           H        ALA  69  -3.891   2.330   4.856
  600    HA   ALA  69           HA       ALA  69  -1.688   0.751   5.964
  601   1HB   ALA  69          1HB       ALA  69  -1.246   3.075   4.074
  602   2HB   ALA  69          2HB       ALA  69   0.015   2.225   4.968
  603   3HB   ALA  69          3HB       ALA  69  -0.905   1.382   3.721
  604    H    ARG  70           H        ARG  70  -0.225   2.197   7.303
  605    HA   ARG  70           HA       ARG  70  -1.524   4.611   8.309
  606   1HB   ARG  70          2HB       ARG  70  -0.864   2.277  10.135
  607   2HB   ARG  70          3HB       ARG  70  -1.467   3.856  10.640
  608   1HG   ARG  70          2HG       ARG  70  -3.477   3.438   9.126
  609   2HG   ARG  70          3HG       ARG  70  -2.916   1.770   8.988
  610   1HD   ARG  70          2HD       ARG  70  -3.071   1.479  11.403
  611   2HD   ARG  70          3HD       ARG  70  -3.508   3.173  11.609
  612    HE   ARG  70           HE       ARG  70  -5.355   1.966   9.846
  613   1HH1  ARG  70          1HH2      ARG  70  -4.560   2.482  13.151
  614   2HH1  ARG  70          2HH2      ARG  70  -6.013   1.770  13.770
  615   1HH2  ARG  70          1HH1      ARG  70  -7.182   0.805  10.654
  616   2HH2  ARG  70          2HH1      ARG  70  -7.491   0.825  12.357
  617    H    PHE  71           H        PHE  71   0.036   6.045   8.156
  618    HA   PHE  71           HA       PHE  71   2.834   5.273   8.591
  619   1HB   PHE  71          2HB       PHE  71   1.472   7.650   7.339
  620   2HB   PHE  71          3HB       PHE  71   3.182   7.702   7.768
  621    HD1  PHE  71           HD1      PHE  71   0.631   5.919   5.752
  622    HD2  PHE  71           HD2      PHE  71   4.827   6.529   6.451
  623    HE1  PHE  71           HE1      PHE  71   1.153   4.680   3.671
  624    HE2  PHE  71           HE2      PHE  71   5.350   5.282   4.365
  625    HZ   PHE  71           HZ       PHE  71   3.512   4.361   2.975
  626    H    GLU  72           H        GLU  72   3.472   5.382  10.670
  627    HA   GLU  72           HA       GLU  72   2.280   7.290  12.508
  628   1HB   GLU  72          2HB       GLU  72   4.331   5.102  12.771
  629   2HB   GLU  72          3HB       GLU  72   4.096   6.281  14.064
  630   1HG   GLU  72          2HG       GLU  72   2.702   4.289  14.450
  631   2HG   GLU  72          3HG       GLU  72   1.696   5.705  14.160
  632    H    LYS  73           H        LYS  73   4.819   7.251  10.284
  633    HA   LYS  73           HA       LYS  73   6.588   9.097  11.639
  634   1HB   LYS  73          2HB       LYS  73   6.469   7.913   8.868
  635   2HB   LYS  73          3HB       LYS  73   7.629   9.167   9.284
  636   1HG   LYS  73          2HG       LYS  73   7.392   6.753  11.052
  637   2HG   LYS  73          3HG       LYS  73   8.285   6.625   9.536
  638   1HD   LYS  73          2HD       LYS  73   9.742   8.470  10.194
  639   2HD   LYS  73          3HD       LYS  73   8.814   8.706  11.676
  640   1HE   LYS  73          2HE       LYS  73   9.364   6.291  12.262
  641   2HE   LYS  73          3HE       LYS  73  10.508   6.318  10.919
  642   1HZ   LYS  73          1HZ       LYS  73  11.918   7.645  12.028
  643   2HZ   LYS  73          2HZ       LYS  73  11.129   7.037  13.405
  644   3HZ   LYS  73          3HZ       LYS  73  10.687   8.548  12.765
  645    H    GLY  74           H        GLY  74   5.192   9.426   8.395
  646   1HA   GLY  74          1HA       GLY  74   3.376  11.227   8.239
  647   2HA   GLY  74          2HA       GLY  74   4.587  12.259   8.992
  648    H    LEU  75           H        LEU  75   3.348  12.650   6.433
  649    HA   LEU  75           HA       LEU  75   5.377  11.985   4.441
  650   1HB   LEU  75          2HB       LEU  75   3.092  13.796   3.808
  651   2HB   LEU  75          3HB       LEU  75   3.801  12.497   2.851
  652    HG   LEU  75           HG       LEU  75   2.042  12.143   5.301
  653   1HD1  LEU  75          1HD1      LEU  75   1.571  11.517   2.370
  654   2HD1  LEU  75          2HD1      LEU  75   0.443  11.200   3.689
  655   3HD1  LEU  75          3HD1      LEU  75   0.848  12.861   3.253
  656   1HD2  LEU  75          1HD2      LEU  75   3.662  10.250   3.610
  657   2HD2  LEU  75          2HD2      LEU  75   3.469  10.284   5.362
  658   3HD2  LEU  75          3HD2      LEU  75   2.160   9.689   4.344
  659    HA   PRO  76           HA       PRO  76   7.343  15.927   4.442
  660   1HB   PRO  76          2HB       PRO  76   7.213  16.482   1.615
  661   2HB   PRO  76          3HB       PRO  76   8.560  15.794   2.531
  662   1HG   PRO  76          2HG       PRO  76   7.061  14.449   0.652
  663   2HG   PRO  76          3HG       PRO  76   8.060  13.698   1.903
  664   1HD   PRO  76          2HD       PRO  76   5.096  14.049   1.822
  665   2HD   PRO  76          3HD       PRO  76   6.058  12.742   2.552
  666    H    GLY  77           H        GLY  77   5.472  16.703   1.567
  667   1HA   GLY  77          1HA       GLY  77   3.398  18.162   2.808
  668   2HA   GLY  77          2HA       GLY  77   4.712  19.260   2.395
  669    H    GLN  78           H        GLN  78   2.013  17.547   1.256
  670    HA   GLN  78           HA       GLN  78   0.895  17.626  -0.744
  671   1HB   GLN  78          2HB       GLN  78   1.937  20.034  -0.676
  672   2HB   GLN  78          3HB       GLN  78   3.012  19.404  -1.922
  673   1HG   GLN  78          2HG       GLN  78  -0.012  19.241  -2.070
  674   2HG   GLN  78          3HG       GLN  78   0.941  20.515  -2.827
  675   1HE2  GLN  78          2HE2      GLN  78   0.411  16.985  -2.831
  676   2HE2  GLN  78          1HE2      GLN  78   1.013  16.728  -4.398
  677    H    ALA  79           H        ALA  79   2.035  15.357  -0.548
  678    HA   ALA  79           HA       ALA  79   3.671  14.964  -2.984
  679   1HB   ALA  79          1HB       ALA  79   4.562  14.345  -0.569
  680   2HB   ALA  79          2HB       ALA  79   3.581  12.900  -0.821
  681   3HB   ALA  79          3HB       ALA  79   4.879  13.294  -1.947
  682    H    LEU  80           H        LEU  80   0.613  14.678  -1.839
  683    HA   LEU  80           HA       LEU  80  -0.298  12.122  -2.436
  684   1HB   LEU  80          2HB       LEU  80  -1.577  14.158  -1.486
  685   2HB   LEU  80          3HB       LEU  80  -1.862  14.593  -3.167
  686    HG   LEU  80           HG       LEU  80  -2.676  12.098  -3.391
  687   1HD1  LEU  80          1HD1      LEU  80  -3.513  12.472  -0.545
  688   2HD1  LEU  80          2HD1      LEU  80  -3.302  10.982  -1.461
  689   3HD1  LEU  80          3HD1      LEU  80  -1.894  11.849  -0.846
  690   1HD2  LEU  80          1HD2      LEU  80  -4.961  12.871  -2.456
  691   2HD2  LEU  80          2HD2      LEU  80  -4.148  14.395  -2.098
  692   3HD2  LEU  80          3HD2      LEU  80  -4.253  13.821  -3.762
  693    H    GLY  81           H        GLY  81   0.014  10.969  -4.233
  694   1HA   GLY  81          1HA       GLY  81  -0.866  10.802  -6.575
  695   2HA   GLY  81          2HA       GLY  81  -0.076  12.349  -6.852
  696    H    ASP  82           H        ASP  82   2.100  11.100  -4.902
  697    HA   ASP  82           HA       ASP  82   3.849  10.309  -7.009
  698   1HB   ASP  82          2HB       ASP  82   4.064  10.213  -4.001
  699   2HB   ASP  82          3HB       ASP  82   5.344   9.648  -5.068
  700    H    TYR  83           H        TYR  83   4.406   8.342  -7.711
  701    HA   TYR  83           HA       TYR  83   2.701   6.118  -7.192
  702   1HB   TYR  83          2HB       TYR  83   5.089   6.701  -8.861
  703   2HB   TYR  83          3HB       TYR  83   4.801   5.009  -8.462
  704    HD1  TYR  83           HD1      TYR  83   2.805   8.019  -9.488
  705    HD2  TYR  83           HD2      TYR  83   3.492   3.805  -9.958
  706    HE1  TYR  83           HE1      TYR  83   1.051   7.926 -11.227
  707    HE2  TYR  83           HE2      TYR  83   1.734   3.712 -11.705
  708    HH   TYR  83           HH       TYR  83   0.298   4.892 -12.933
  709    H    VAL  84           H        VAL  84   2.853   4.670  -5.607
  710    HA   VAL  84           HA       VAL  84   5.253   4.675  -3.923
  711    HB   VAL  84           HB       VAL  84   3.895   3.451  -2.320
  712   1HG1  VAL  84          1HG1      VAL  84   2.207   5.654  -3.526
  713   2HG1  VAL  84          2HG1      VAL  84   2.329   5.199  -1.827
  714   3HG1  VAL  84          3HG1      VAL  84   3.694   5.971  -2.634
  715   1HG2  VAL  84          1HG2      VAL  84   2.604   2.034  -3.827
  716   2HG2  VAL  84          2HG2      VAL  84   1.480   3.020  -2.896
  717   3HG2  VAL  84          3HG2      VAL  84   1.849   3.448  -4.564
  718    H    GLU  85           H        GLU  85   6.276   2.695  -3.326
  719    HA   GLU  85           HA       GLU  85   5.720   0.370  -4.998
  720   1HB   GLU  85          2HB       GLU  85   8.543   1.381  -4.968
  721   2HB   GLU  85          3HB       GLU  85   7.749   0.327  -6.137
  722   1HG   GLU  85          2HG       GLU  85   6.355   2.267  -6.869
  723   2HG   GLU  85          3HG       GLU  85   7.274   3.298  -5.781
  724    H    ILE  86           H        ILE  86   7.087  -1.473  -4.391
  725    HA   ILE  86           HA       ILE  86   7.672  -1.400  -1.503
  726    HB   ILE  86           HB       ILE  86   7.244  -3.810  -3.306
  727   1HG1  ILE  86          2HG1      ILE  86   5.099  -3.883  -1.740
  728   2HG1  ILE  86          3HG1      ILE  86   5.368  -2.143  -1.642
  729   1HG2  ILE  86          1HG2      ILE  86   6.831  -4.819  -0.941
  730   2HG2  ILE  86          2HG2      ILE  86   8.495  -4.536  -1.448
  731   3HG2  ILE  86          3HG2      ILE  86   7.699  -3.400  -0.358
  732   1HD1  ILE  86          1HD1      ILE  86   5.629  -2.565  -4.339
  733   2HD1  ILE  86          2HD1      ILE  86   4.428  -3.783  -3.912
  734   3HD1  ILE  86          3HD1      ILE  86   4.124  -2.085  -3.554
  735    H    VAL  87           H        VAL  87   9.734  -0.252  -2.150
  736    HA   VAL  87           HA       VAL  87  11.696  -2.124  -3.345
  737    HB   VAL  87           HB       VAL  87  12.542   0.655  -2.791
  738   1HG1  VAL  87          1HG1      VAL  87  13.944  -0.957  -4.015
  739   2HG1  VAL  87          2HG1      VAL  87  12.662  -1.188  -5.204
  740   3HG1  VAL  87          3HG1      VAL  87  13.475   0.373  -5.072
  741   1HG2  VAL  87          1HG2      VAL  87  10.335   1.230  -3.510
  742   2HG2  VAL  87          2HG2      VAL  87  11.354   1.389  -4.938
  743   3HG2  VAL  87          3HG2      VAL  87  10.327  -0.032  -4.739
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  12.280  -9.032  -9.029
    2   2H    MET   1          2HT       MET   1  10.640  -8.768  -8.673
    3   3H    MET   1          3HT       MET   1  11.832  -8.439  -7.506
    4    HA   MET   1           HA       MET   1  12.766  -6.756  -9.111
    5   1HB   MET   1          2HB       MET   1  10.013  -7.169 -10.326
    6   2HB   MET   1          3HB       MET   1  11.179  -5.931 -10.798
    7   1HG   MET   1          2HG       MET   1  12.692  -7.535 -11.676
    8   2HG   MET   1          3HG       MET   1  11.868  -8.873 -10.875
    9   1HE   MET   1          1HE       MET   1  12.549  -7.317 -14.072
   10   2HE   MET   1          2HE       MET   1  11.588  -8.446 -15.026
   11   3HE   MET   1          3HE       MET   1  12.680  -9.057 -13.786
   12    H    ARG   2           H        ARG   2  11.270  -4.550  -9.333
   13    HA   ARG   2           HA       ARG   2  10.335  -4.115  -6.587
   14   1HB   ARG   2          2HB       ARG   2  10.586  -1.964  -8.673
   15   2HB   ARG   2          3HB       ARG   2  10.747  -1.835  -6.923
   16   1HG   ARG   2          2HG       ARG   2  12.694  -3.224  -8.793
   17   2HG   ARG   2          3HG       ARG   2  12.956  -1.680  -7.984
   18   1HD   ARG   2          2HD       ARG   2  12.460  -3.066  -5.801
   19   2HD   ARG   2          3HD       ARG   2  12.886  -4.444  -6.811
   20    HE   ARG   2           HE       ARG   2  14.784  -2.223  -6.803
   21   1HH1  ARG   2          1HH1      ARG   2  14.517  -5.540  -6.837
   22   2HH1  ARG   2          2HH1      ARG   2  15.796  -5.856  -5.714
   23   1HH2  ARG   2          1HH2      ARG   2  16.164  -2.535  -4.790
   24   2HH2  ARG   2          2HH2      ARG   2  16.729  -4.155  -4.555
   25    H    ILE   3           H        ILE   3   8.518  -2.296  -6.581
   26    HA   ILE   3           HA       ILE   3   6.422  -2.948  -8.554
   27    HB   ILE   3           HB       ILE   3   5.827  -2.810  -5.594
   28   1HG1  ILE   3          2HG1      ILE   3   7.381  -4.751  -6.220
   29   2HG1  ILE   3          3HG1      ILE   3   5.856  -5.197  -5.464
   30   1HG2  ILE   3          1HG2      ILE   3   3.809  -4.186  -6.527
   31   2HG2  ILE   3          2HG2      ILE   3   3.845  -2.443  -6.792
   32   3HG2  ILE   3          3HG2      ILE   3   4.308  -3.543  -8.092
   33   1HD1  ILE   3          1HD1      ILE   3   4.906  -5.895  -7.525
   34   2HD1  ILE   3          2HD1      ILE   3   6.154  -5.081  -8.468
   35   3HD1  ILE   3          3HD1      ILE   3   6.550  -6.533  -7.551
   36    H    LYS   4           H        LYS   4   4.513  -1.385  -8.256
   37    HA   LYS   4           HA       LYS   4   5.253   1.183  -7.088
   38   1HB   LYS   4          2HB       LYS   4   4.596   2.261  -9.373
   39   2HB   LYS   4          3HB       LYS   4   6.234   1.649  -9.144
   40   1HG   LYS   4          2HG       LYS   4   5.827  -0.282 -10.435
   41   2HG   LYS   4          3HG       LYS   4   4.078  -0.130 -10.279
   42   1HD   LYS   4          2HD       LYS   4   4.938   0.530 -12.546
   43   2HD   LYS   4          3HD       LYS   4   4.058   1.820 -11.725
   44   1HE   LYS   4          2HE       LYS   4   6.023   3.009 -11.219
   45   2HE   LYS   4          3HE       LYS   4   7.051   1.592 -11.448
   46   1HZ   LYS   4          1HZ       LYS   4   7.120   1.891 -13.656
   47   2HZ   LYS   4          2HZ       LYS   4   6.703   3.495 -13.283
   48   3HZ   LYS   4          3HZ       LYS   4   5.503   2.391 -13.760
   49    H    GLY   5           H        GLY   5   3.531   1.373  -5.826
   50   1HA   GLY   5          1HA       GLY   5   0.834   0.837  -6.848
   51   2HA   GLY   5          2HA       GLY   5   1.271   1.130  -5.168
   52    H    VAL   6           H        VAL   6  -0.794   2.559  -5.697
   53    HA   VAL   6           HA       VAL   6   0.232   5.280  -6.045
   54    HB   VAL   6           HB       VAL   6  -0.664   4.279  -8.261
   55   1HG1  VAL   6          1HG1      VAL   6  -2.764   3.413  -7.050
   56   2HG1  VAL   6          2HG1      VAL   6  -3.317   5.088  -7.077
   57   3HG1  VAL   6          3HG1      VAL   6  -3.006   4.238  -8.589
   58   1HG2  VAL   6          1HG2      VAL   6  -0.155   6.662  -7.913
   59   2HG2  VAL   6          2HG2      VAL   6  -1.625   6.481  -8.871
   60   3HG2  VAL   6          3HG2      VAL   6  -1.732   6.899  -7.161
   61    H    VAL   7           H        VAL   7  -0.694   6.723  -4.748
   62    HA   VAL   7           HA       VAL   7  -2.583   5.821  -2.759
   63    HB   VAL   7           HB       VAL   7  -1.292   8.520  -3.245
   64   1HG1  VAL   7          1HG1      VAL   7  -3.177   7.499  -1.130
   65   2HG1  VAL   7          2HG1      VAL   7  -1.987   8.736  -0.730
   66   3HG1  VAL   7          3HG1      VAL   7  -3.193   9.045  -1.978
   67   1HG2  VAL   7          1HG2      VAL   7  -0.696   6.605  -0.996
   68   2HG2  VAL   7          2HG2      VAL   7   0.088   6.404  -2.563
   69   3HG2  VAL   7          3HG2      VAL   7   0.314   7.895  -1.649
   70    H    LEU   8           H        LEU   8  -4.698   6.408  -2.528
   71    HA   LEU   8           HA       LEU   8  -5.927   7.828  -4.808
   72   1HB   LEU   8          2HB       LEU   8  -7.378   6.144  -2.765
   73   2HB   LEU   8          3HB       LEU   8  -7.935   6.644  -4.361
   74    HG   LEU   8           HG       LEU   8  -5.676   4.707  -3.767
   75   1HD1  LEU   8          1HD1      LEU   8  -7.952   3.785  -3.482
   76   2HD1  LEU   8          2HD1      LEU   8  -8.374   4.331  -5.105
   77   3HD1  LEU   8          3HD1      LEU   8  -7.151   3.080  -4.884
   78   1HD2  LEU   8          1HD2      LEU   8  -5.980   4.454  -6.392
   79   2HD2  LEU   8          2HD2      LEU   8  -6.568   6.112  -6.266
   80   3HD2  LEU   8          3HD2      LEU   8  -4.936   5.711  -5.733
   81    H    SER   9           H        SER   9  -6.392   7.419  -1.291
   82    HA   SER   9           HA       SER   9  -6.519  10.249  -0.820
   83   1HB   SER   9          2HB       SER   9  -9.060   8.641  -0.956
   84   2HB   SER   9          3HB       SER   9  -8.933  10.038   0.108
   85    HG   SER   9           HG       SER   9  -8.269  11.235  -1.774
   86    H    TYR  10           H        TYR  10  -6.268  10.713   1.354
   87    HA   TYR  10           HA       TYR  10  -5.888   8.371   3.097
   88   1HB   TYR  10          2HB       TYR  10  -4.265   9.553   4.227
   89   2HB   TYR  10          3HB       TYR  10  -4.121  10.296   2.637
   90    HD1  TYR  10           HD1      TYR  10  -4.540  10.929   6.085
   91    HD2  TYR  10           HD2      TYR  10  -5.742  12.367   2.217
   92    HE1  TYR  10           HE1      TYR  10  -5.086  13.134   7.075
   93    HE2  TYR  10           HE2      TYR  10  -6.289  14.573   3.210
   94    HH   TYR  10           HH       TYR  10  -5.292  15.814   5.598
   95    H    ARG  11           H        ARG  11  -6.994   8.093   4.973
   96    HA   ARG  11           HA       ARG  11  -9.374   9.746   5.349
   97   1HB   ARG  11          2HB       ARG  11  -8.479   7.200   6.728
   98   2HB   ARG  11          3HB       ARG  11 -10.035   7.994   6.962
   99   1HG   ARG  11          2HG       ARG  11  -9.158   7.276   4.178
  100   2HG   ARG  11          3HG       ARG  11  -9.822   6.023   5.225
  101   1HD   ARG  11          2HD       ARG  11 -11.875   7.270   5.524
  102   2HD   ARG  11          3HD       ARG  11 -11.211   8.659   4.670
  103    HE   ARG  11           HE       ARG  11 -11.117   7.104   2.665
  104   1HH1  ARG  11          1HH1      ARG  11 -13.664   7.363   4.934
  105   2HH1  ARG  11          2HH1      ARG  11 -14.697   6.222   4.140
  106   1HH2  ARG  11          1HH2      ARG  11 -12.331   5.314   1.776
  107   2HH2  ARG  11          2HH2      ARG  11 -13.945   5.066   2.353
  108    H    ARG  12           H        ARG  12  -9.309  11.452   6.657
  109    HA   ARG  12           HA       ARG  12  -7.232  11.668   8.704
  110   1HB   ARG  12          2HB       ARG  12  -8.273  13.988   8.990
  111   2HB   ARG  12          3HB       ARG  12  -7.500  13.661   7.441
  112   1HG   ARG  12          2HG       ARG  12  -9.562  13.397   6.326
  113   2HG   ARG  12          3HG       ARG  12 -10.448  13.156   7.830
  114   1HD   ARG  12          2HD       ARG  12  -9.091  15.751   7.056
  115   2HD   ARG  12          3HD       ARG  12 -10.803  15.422   6.811
  116    HE   ARG  12           HE       ARG  12 -10.081  14.955   9.528
  117   1HH1  ARG  12          1HH2      ARG  12  -9.055  17.734   8.261
  118   2HH1  ARG  12          2HH2      ARG  12 -10.238  18.786   8.963
  119   1HH2  ARG  12          1HH1      ARG  12 -12.310  16.203   9.993
  120   2HH2  ARG  12          2HH1      ARG  12 -12.084  17.918   9.944
  121    H    SER  13           H        SER  13  -8.575   9.694   9.611
  122    HA   SER  13           HA       SER  13 -10.988  10.261  11.021
  123   1HB   SER  13          2HB       SER  13  -8.966   8.032  11.190
  124   2HB   SER  13          3HB       SER  13 -10.383   8.096  12.234
  125    HG   SER  13           HG       SER  13 -11.637   7.684  10.565
  126    H    LYS  14           H        LYS  14 -11.324  10.544  13.241
  127    HA   LYS  14           HA       LYS  14  -9.014  11.022  14.968
  128   1HB   LYS  14          2HB       LYS  14  -9.619  13.193  13.763
  129   2HB   LYS  14          3HB       LYS  14 -11.125  13.162  14.680
  130   1HG   LYS  14          2HG       LYS  14  -9.792  13.030  16.790
  131   2HG   LYS  14          3HG       LYS  14  -8.318  13.191  15.833
  132   1HD   LYS  14          2HD       LYS  14  -9.072  15.374  14.998
  133   2HD   LYS  14          3HD       LYS  14 -10.579  15.212  15.901
  134   1HE   LYS  14          2HE       LYS  14  -9.443  15.319  18.002
  135   2HE   LYS  14          3HE       LYS  14  -7.866  15.122  17.237
  136   1HZ   LYS  14          1HZ       LYS  14  -9.685  17.435  16.835
  137   2HZ   LYS  14          2HZ       LYS  14  -8.138  17.246  16.158
  138   3HZ   LYS  14          3HZ       LYS  14  -8.318  17.433  17.838
  139    H    GLU  15           H        GLU  15 -12.557  11.143  14.652
  140    HA   GLU  15           HA       GLU  15 -13.222  10.980  17.365
  141   1HB   GLU  15          2HB       GLU  15 -14.738   9.773  15.039
  142   2HB   GLU  15          3HB       GLU  15 -15.398  10.166  16.626
  143   1HG   GLU  15          2HG       GLU  15 -14.825  12.552  16.258
  144   2HG   GLU  15          3HG       GLU  15 -14.226  12.148  14.652
  145    H    ASN  16           H        ASN  16 -13.480   9.337  18.797
  146    HA   ASN  16           HA       ASN  16 -13.298   7.264  19.756
  147   1HB   ASN  16          2HB       ASN  16 -13.255   6.085  16.977
  148   2HB   ASN  16          3HB       ASN  16 -13.740   5.304  18.478
  149   1HD2  ASN  16          2HD2      ASN  16 -15.206   7.856  19.329
  150   2HD2  ASN  16          1HD2      ASN  16 -16.641   7.833  18.423
  151    H    GLN  17           H        GLN  17 -11.031   8.620  17.737
  152    HA   GLN  17           HA       GLN  17  -8.749   8.463  17.615
  153   1HB   GLN  17          2HB       GLN  17  -9.087   8.074  20.141
  154   2HB   GLN  17          3HB       GLN  17  -8.824   6.368  19.781
  155   1HG   GLN  17          2HG       GLN  17  -6.898   8.528  18.895
  156   2HG   GLN  17          3HG       GLN  17  -6.747   7.704  20.444
  157   1HE2  GLN  17          2HE2      GLN  17  -7.360   5.059  19.795
  158   2HE2  GLN  17          1HE2      GLN  17  -6.249   4.471  18.656
  159    H    HIS  18           H        HIS  18  -7.690   7.503  16.028
  160    HA   HIS  18           HA       HIS  18  -7.332   4.680  15.825
  161   1HB   HIS  18          2HB       HIS  18  -9.771   5.211  14.946
  162   2HB   HIS  18          3HB       HIS  18  -8.907   5.756  13.508
  163    HD1  HIS  18           HD1      HIS  18  -6.813   3.813  12.956
  164    HD2  HIS  18           HD2      HIS  18 -10.432   2.558  14.601
  165    HE1  HIS  18           HE1      HIS  18  -7.010   1.340  12.453
  166    H    ASN  19           H        ASN  19  -6.708   7.851  15.131
  167    HA   ASN  19           HA       ASN  19  -4.971   8.899  14.099
  168   1HB   ASN  19          2HB       ASN  19  -3.753   6.734  14.863
  169   2HB   ASN  19          3HB       ASN  19  -3.887   6.248  13.174
  170   1HD2  ASN  19          2HD2      ASN  19  -3.033   9.320  14.890
  171   2HD2  ASN  19          1HD2      ASN  19  -1.650   9.616  13.954
  172    H    ASN  20           H        ASN  20  -4.130   9.375  11.907
  173    HA   ASN  20           HA       ASN  20  -6.237   9.040   9.965
  174   1HB   ASN  20          2HB       ASN  20  -4.528  10.349   8.509
  175   2HB   ASN  20          3HB       ASN  20  -5.289  11.169   9.870
  176   1HD2  ASN  20          2HD2      ASN  20  -2.751   8.739  10.386
  177   2HD2  ASN  20          1HD2      ASN  20  -1.571   9.840  10.912
  178    H    VAL  21           H        VAL  21  -6.356   7.588   8.385
  179    HA   VAL  21           HA       VAL  21  -4.132   5.707   8.031
  180    HB   VAL  21           HB       VAL  21  -6.792   5.462   6.653
  181   1HG1  VAL  21          1HG1      VAL  21  -4.592   3.643   7.610
  182   2HG1  VAL  21          2HG1      VAL  21  -6.214   3.003   7.358
  183   3HG1  VAL  21          3HG1      VAL  21  -5.338   3.736   6.016
  184   1HG2  VAL  21          1HG2      VAL  21  -6.181   5.044   9.581
  185   2HG2  VAL  21          2HG2      VAL  21  -7.563   5.866   8.853
  186   3HG2  VAL  21          3HG2      VAL  21  -7.437   4.108   8.773
  187    H    MET  22           H        MET  22  -4.030   4.872   5.626
  188    HA   MET  22           HA       MET  22  -4.213   7.085   3.706
  189   1HB   MET  22          2HB       MET  22  -1.957   7.270   4.633
  190   2HB   MET  22          3HB       MET  22  -1.664   5.563   4.317
  191   1HG   MET  22          2HG       MET  22  -0.649   6.832   2.526
  192   2HG   MET  22          3HG       MET  22  -2.069   6.019   1.871
  193   1HE   MET  22          1HE       MET  22  -0.113   9.028   1.876
  194   2HE   MET  22          2HE       MET  22  -0.739   9.319   3.497
  195   3HE   MET  22          3HE       MET  22  -1.157  10.421   2.188
  196    H    ILE  23           H        ILE  23  -5.238   6.312   1.987
  197    HA   ILE  23           HA       ILE  23  -5.404   3.455   1.514
  198    HB   ILE  23           HB       ILE  23  -6.526   5.719  -0.151
  199   1HG1  ILE  23          2HG1      ILE  23  -7.197   5.577   2.372
  200   2HG1  ILE  23          3HG1      ILE  23  -8.476   5.691   1.167
  201   1HG2  ILE  23          1HG2      ILE  23  -7.047   2.745   0.012
  202   2HG2  ILE  23          2HG2      ILE  23  -8.192   3.862  -0.727
  203   3HG2  ILE  23          3HG2      ILE  23  -6.571   3.691  -1.398
  204   1HD1  ILE  23          1HD1      ILE  23  -8.973   3.368   1.321
  205   2HD1  ILE  23          2HD1      ILE  23  -7.472   3.026   2.184
  206   3HD1  ILE  23          3HD1      ILE  23  -8.772   3.906   2.988
  207    H    ILE  24           H        ILE  24  -4.328   2.320   0.034
  208    HA   ILE  24           HA       ILE  24  -2.855   3.706  -2.103
  209    HB   ILE  24           HB       ILE  24  -1.702   1.956   0.049
  210   1HG1  ILE  24          2HG1      ILE  24  -0.549   4.313  -1.469
  211   2HG1  ILE  24          3HG1      ILE  24  -1.500   4.482   0.007
  212   1HG2  ILE  24          1HG2      ILE  24   0.290   1.593  -1.450
  213   2HG2  ILE  24          2HG2      ILE  24  -1.148   0.710  -1.957
  214   3HG2  ILE  24          3HG2      ILE  24  -0.678   2.187  -2.798
  215   1HD1  ILE  24          1HD1      ILE  24   1.132   3.010  -0.305
  216   2HD1  ILE  24          2HD1      ILE  24   0.838   4.478   0.628
  217   3HD1  ILE  24          3HD1      ILE  24   0.137   2.948   1.150
  218    H    LYS  25           H        LYS  25  -2.306   2.290  -3.887
  219    HA   LYS  25           HA       LYS  25  -3.675  -0.316  -3.893
  220   1HB   LYS  25          2HB       LYS  25  -5.225   1.416  -4.833
  221   2HB   LYS  25          3HB       LYS  25  -4.026   1.744  -6.083
  222   1HG   LYS  25          2HG       LYS  25  -4.159  -0.922  -6.360
  223   2HG   LYS  25          3HG       LYS  25  -5.777  -0.646  -5.714
  224   1HD   LYS  25          2HD       LYS  25  -4.673   0.963  -8.025
  225   2HD   LYS  25          3HD       LYS  25  -5.538  -0.555  -8.265
  226   1HE   LYS  25          2HE       LYS  25  -6.719   1.679  -6.614
  227   2HE   LYS  25          3HE       LYS  25  -6.924   1.621  -8.363
  228   1HZ   LYS  25          1HZ       LYS  25  -8.292  -0.145  -8.238
  229   2HZ   LYS  25          2HZ       LYS  25  -8.571   0.427  -6.665
  230   3HZ   LYS  25          3HZ       LYS  25  -7.477  -0.844  -6.927
  231    HA   PRO  26           HA       PRO  26   0.318  -1.106  -5.765
  232   1HB   PRO  26          2HB       PRO  26  -0.416  -3.871  -6.111
  233   2HB   PRO  26          3HB       PRO  26   0.684  -3.170  -4.918
  234   1HG   PRO  26          2HG       PRO  26  -1.837  -4.277  -4.434
  235   2HG   PRO  26          3HG       PRO  26  -0.844  -3.351  -3.301
  236   1HD   PRO  26          2HD       PRO  26  -3.271  -2.525  -4.743
  237   2HD   PRO  26          3HD       PRO  26  -2.494  -1.788  -3.327
  238    H    LEU  27           H        LEU  27  -1.154   0.175  -7.453
  239    HA   LEU  27           HA       LEU  27  -1.779   0.523  -9.593
  240   1HB   LEU  27          2HB       LEU  27   0.667  -0.488  -9.645
  241   2HB   LEU  27          3HB       LEU  27  -0.157  -1.781 -10.495
  242    HG   LEU  27           HG       LEU  27  -1.246   0.155 -11.879
  243   1HD1  LEU  27          1HD1      LEU  27  -0.192   2.231 -11.865
  244   2HD1  LEU  27          2HD1      LEU  27  -0.054   1.790 -10.165
  245   3HD1  LEU  27          3HD1      LEU  27   1.322   1.577 -11.244
  246   1HD2  LEU  27          1HD2      LEU  27   0.260  -1.437 -12.898
  247   2HD2  LEU  27          2HD2      LEU  27   0.777   0.176 -13.390
  248   3HD2  LEU  27          3HD2      LEU  27   1.656  -0.684 -12.127
  249    H    ASP  28           H        ASP  28  -1.342  -2.995  -9.939
  250    HA   ASP  28           HA       ASP  28  -4.149  -3.108 -10.816
  251   1HB   ASP  28          2HB       ASP  28  -3.523  -5.349 -11.768
  252   2HB   ASP  28          3HB       ASP  28  -2.712  -3.966 -12.507
  253    H    VAL  29           H        VAL  29  -2.354  -5.924  -9.670
  254    HA   VAL  29           HA       VAL  29  -3.060  -7.551  -8.189
  255    HB   VAL  29           HB       VAL  29  -3.252  -5.015  -6.534
  256   1HG1  VAL  29          1HG1      VAL  29  -4.434  -6.329  -5.081
  257   2HG1  VAL  29          2HG1      VAL  29  -3.947  -7.823  -5.884
  258   3HG1  VAL  29          3HG1      VAL  29  -2.859  -7.041  -4.737
  259   1HG2  VAL  29          1HG2      VAL  29  -1.097  -5.862  -5.634
  260   2HG2  VAL  29          2HG2      VAL  29  -1.192  -7.241  -6.730
  261   3HG2  VAL  29          3HG2      VAL  29  -1.011  -5.609  -7.375
  262    H    ASN  30           H        ASN  30  -4.887  -7.277  -9.932
  263    HA   ASN  30           HA       ASN  30  -7.446  -6.493  -8.810
  264   1HB   ASN  30          2HB       ASN  30  -8.237  -7.233 -11.124
  265   2HB   ASN  30          3HB       ASN  30  -7.135  -5.864 -11.073
  266   1HD2  ASN  30          2HD2      ASN  30  -5.227  -6.048 -12.274
  267   2HD2  ASN  30          1HD2      ASN  30  -4.673  -7.492 -12.974
  268    H    SER  31           H        SER  31  -6.495  -8.468  -7.272
  269    HA   SER  31           HA       SER  31  -8.456 -10.558  -7.634
  270   1HB   SER  31          2HB       SER  31  -5.514 -11.098  -7.957
  271   2HB   SER  31          3HB       SER  31  -6.602 -12.341  -7.346
  272    HG   SER  31           HG       SER  31  -7.810 -11.319  -9.412
  273    H    ARG  32           H        ARG  32  -9.342 -10.427  -5.679
  274    HA   ARG  32           HA       ARG  32  -8.248  -9.505  -3.329
  275   1HB   ARG  32          2HB       ARG  32 -10.609  -9.918  -3.463
  276   2HB   ARG  32          3HB       ARG  32 -10.353 -11.635  -3.760
  277   1HG   ARG  32          2HG       ARG  32  -9.497 -11.971  -1.532
  278   2HG   ARG  32          3HG       ARG  32  -9.454 -10.235  -1.228
  279   1HD   ARG  32          2HD       ARG  32 -11.991 -10.275  -1.672
  280   2HD   ARG  32          3HD       ARG  32 -11.871 -12.024  -1.513
  281    HE   ARG  32           HE       ARG  32 -11.741 -11.715   0.770
  282   1HH1  ARG  32          1HH2      ARG  32 -10.993  -8.757  -0.870
  283   2HH1  ARG  32          2HH2      ARG  32 -10.639  -7.883   0.583
  284   1HH2  ARG  32          1HH1      ARG  32 -11.154 -10.604   2.666
  285   2HH2  ARG  32          2HH1      ARG  32 -10.734  -8.927   2.582
  286    H    GLU  33           H        GLU  33  -7.896 -12.658  -4.816
  287    HA   GLU  33           HA       GLU  33  -6.815 -14.068  -2.618
  288   1HB   GLU  33          2HB       GLU  33  -6.481 -14.382  -5.607
  289   2HB   GLU  33          3HB       GLU  33  -5.775 -15.499  -4.444
  290   1HG   GLU  33          2HG       GLU  33  -8.724 -14.814  -4.501
  291   2HG   GLU  33          3HG       GLU  33  -8.040 -16.187  -5.364
  292    H    GLU  34           H        GLU  34  -5.189 -12.471  -5.362
  293    HA   GLU  34           HA       GLU  34  -2.561 -12.756  -4.333
  294   1HB   GLU  34          2HB       GLU  34  -3.850 -11.119  -6.485
  295   2HB   GLU  34          3HB       GLU  34  -2.209 -10.717  -5.981
  296   1HG   GLU  34          2HG       GLU  34  -2.829 -13.591  -6.498
  297   2HG   GLU  34          3HG       GLU  34  -2.695 -12.526  -7.894
  298    H    ALA  35           H        ALA  35  -4.995 -10.206  -4.122
  299    HA   ALA  35           HA       ALA  35  -3.434  -8.212  -2.912
  300   1HB   ALA  35          1HB       ALA  35  -5.866  -8.130  -3.834
  301   2HB   ALA  35          2HB       ALA  35  -6.326  -8.634  -2.208
  302   3HB   ALA  35          3HB       ALA  35  -5.450  -7.122  -2.449
  303    H    SER  36           H        SER  36  -5.693 -10.489  -1.318
  304    HA   SER  36           HA       SER  36  -5.007  -9.920   1.321
  305   1HB   SER  36          2HB       SER  36  -6.131 -12.329  -0.054
  306   2HB   SER  36          3HB       SER  36  -5.649 -12.456   1.633
  307    HG   SER  36           HG       SER  36  -7.634 -10.874   0.432
  308    H    LYS  37           H        LYS  37  -3.222 -11.609  -1.105
  309    HA   LYS  37           HA       LYS  37  -1.555 -13.170   0.598
  310   1HB   LYS  37          2HB       LYS  37  -1.958 -13.243  -2.024
  311   2HB   LYS  37          3HB       LYS  37  -0.551 -12.179  -2.037
  312   1HG   LYS  37          2HG       LYS  37   0.715 -13.832  -0.708
  313   2HG   LYS  37          3HG       LYS  37  -0.690 -14.899  -0.702
  314   1HD   LYS  37          2HD       LYS  37  -0.542 -14.600  -3.327
  315   2HD   LYS  37          3HD       LYS  37   1.135 -14.183  -2.973
  316   1HE   LYS  37          2HE       LYS  37   1.225 -16.513  -3.289
  317   2HE   LYS  37          3HE       LYS  37   1.137 -16.354  -1.535
  318   1HZ   LYS  37          1HZ       LYS  37  -0.782 -17.451  -3.381
  319   2HZ   LYS  37          2HZ       LYS  37  -1.459 -16.375  -2.255
  320   3HZ   LYS  37          3HZ       LYS  37  -0.590 -17.733  -1.720
  321    H    LEU  38           H        LEU  38  -0.722 -10.240  -1.287
  322    HA   LEU  38           HA       LEU  38   1.601  -9.782   0.370
  323   1HB   LEU  38          2HB       LEU  38   2.303  -8.343  -1.263
  324   2HB   LEU  38          3HB       LEU  38   1.155  -9.274  -2.214
  325    HG   LEU  38           HG       LEU  38   0.674  -6.567  -0.924
  326   1HD1  LEU  38          1HD1      LEU  38   0.577  -7.429  -3.825
  327   2HD1  LEU  38          2HD1      LEU  38   0.458  -5.784  -3.199
  328   3HD1  LEU  38          3HD1      LEU  38   1.980  -6.669  -3.073
  329   1HD2  LEU  38          1HD2      LEU  38  -1.504  -6.972  -2.462
  330   2HD2  LEU  38          2HD2      LEU  38  -1.188  -8.639  -1.984
  331   3HD2  LEU  38          3HD2      LEU  38  -1.463  -7.405  -0.755
  332    H    ILE  39           H        ILE  39  -1.307  -9.547   1.351
  333    HA   ILE  39           HA       ILE  39  -2.011  -6.959   2.023
  334    HB   ILE  39           HB       ILE  39  -3.387  -8.953   2.510
  335   1HG1  ILE  39          2HG1      ILE  39  -2.786  -7.455   5.076
  336   2HG1  ILE  39          3HG1      ILE  39  -3.650  -6.717   3.726
  337   1HG2  ILE  39          1HG2      ILE  39  -1.553  -9.394   4.881
  338   2HG2  ILE  39          2HG2      ILE  39  -2.881 -10.418   4.340
  339   3HG2  ILE  39          3HG2      ILE  39  -1.409 -10.306   3.378
  340   1HD1  ILE  39          1HD1      ILE  39  -4.484  -9.156   5.320
  341   2HD1  ILE  39          2HD1      ILE  39  -5.302  -7.596   5.249
  342   3HD1  ILE  39          3HD1      ILE  39  -5.280  -8.646   3.832
  343    H    GLY  40           H        GLY  40   0.497  -8.984   3.439
  344   1HA   GLY  40          1HA       GLY  40   1.081  -6.912   5.455
  345   2HA   GLY  40          2HA       GLY  40   1.656  -8.573   5.499
  346    H    ARG  41           H        ARG  41   1.778  -6.819   2.502
  347    HA   ARG  41           HA       ARG  41   4.613  -7.158   2.296
  348   1HB   ARG  41          2HB       ARG  41   2.892  -7.089   0.388
  349   2HB   ARG  41          3HB       ARG  41   2.952  -5.336   0.558
  350   1HG   ARG  41          2HG       ARG  41   4.643  -5.581  -0.981
  351   2HG   ARG  41          3HG       ARG  41   5.593  -5.821   0.484
  352   1HD   ARG  41          2HD       ARG  41   6.223  -7.756  -0.538
  353   2HD   ARG  41          3HD       ARG  41   4.682  -8.354   0.070
  354    HE   ARG  41           HE       ARG  41   3.994  -7.275  -2.322
  355   1HH1  ARG  41          1HH1      ARG  41   5.339 -10.142  -1.229
  356   2HH1  ARG  41          2HH1      ARG  41   5.914 -10.683  -2.769
  357   1HH2  ARG  41          1HH2      ARG  41   5.249  -7.687  -4.375
  358   2HH2  ARG  41          2HH2      ARG  41   5.864  -9.297  -4.546
  359    H    LEU  42           H        LEU  42   6.235  -5.623   2.345
  360    HA   LEU  42           HA       LEU  42   5.635  -3.223   3.926
  361   1HB   LEU  42          2HB       LEU  42   7.466  -4.867   4.569
  362   2HB   LEU  42          3HB       LEU  42   8.349  -4.303   3.152
  363    HG   LEU  42           HG       LEU  42   7.856  -1.912   4.172
  364   1HD1  LEU  42          1HD1      LEU  42   6.417  -2.847   5.996
  365   2HD1  LEU  42          2HD1      LEU  42   7.831  -3.680   6.640
  366   3HD1  LEU  42          3HD1      LEU  42   7.782  -1.917   6.611
  367   1HD2  LEU  42          1HD2      LEU  42  10.089  -3.029   3.847
  368   2HD2  LEU  42          2HD2      LEU  42  10.019  -1.993   5.274
  369   3HD2  LEU  42          3HD2      LEU  42   9.910  -3.745   5.450
  370    H    VAL  43           H        VAL  43   5.406  -1.332   2.934
  371    HA   VAL  43           HA       VAL  43   6.226  -1.003   0.149
  372    HB   VAL  43           HB       VAL  43   4.946   1.037   0.205
  373   1HG1  VAL  43          1HG1      VAL  43   3.664  -1.070   0.064
  374   2HG1  VAL  43          2HG1      VAL  43   3.556  -1.123   1.824
  375   3HG1  VAL  43          3HG1      VAL  43   2.751   0.167   0.930
  376   1HG2  VAL  43          1HG2      VAL  43   3.796   1.576   2.492
  377   2HG2  VAL  43          2HG2      VAL  43   5.121   0.645   3.189
  378   3HG2  VAL  43          3HG2      VAL  43   5.464   2.094   2.243
  379    H    LEU  44           H        LEU  44   8.092  -0.183  -0.423
  380    HA   LEU  44           HA       LEU  44   9.614   1.428   1.522
  381   1HB   LEU  44          2HB       LEU  44  10.388  -0.818   0.045
  382   2HB   LEU  44          3HB       LEU  44  11.126   0.544  -0.800
  383    HG   LEU  44           HG       LEU  44  11.809   1.339   1.600
  384   1HD1  LEU  44          1HD1      LEU  44  10.408  -0.390   2.741
  385   2HD1  LEU  44          2HD1      LEU  44  11.449  -1.639   2.061
  386   3HD1  LEU  44          3HD1      LEU  44  12.106  -0.470   3.207
  387   1HD2  LEU  44          1HD2      LEU  44  13.327   0.467  -0.236
  388   2HD2  LEU  44          2HD2      LEU  44  13.907   0.160   1.402
  389   3HD2  LEU  44          3HD2      LEU  44  13.154  -1.138   0.476
  390    H    TRP  45           H        TRP  45   8.899   3.391   1.163
  391    HA   TRP  45           HA       TRP  45   8.491   4.533  -1.477
  392   1HB   TRP  45          2HB       TRP  45   7.031   4.914   0.564
  393   2HB   TRP  45          3HB       TRP  45   8.355   5.832   1.258
  394    HD1  TRP  45           HD1      TRP  45   6.046   5.893  -1.846
  395    HE1  TRP  45           HE1      TRP  45   5.683   8.365  -2.524
  396    HE3  TRP  45           HE3      TRP  45   9.191   8.177   1.468
  397    HZ2  TRP  45           HZ2      TRP  45   6.630  10.953  -1.760
  398    HZ3  TRP  45           HZ3      TRP  45   9.438  10.643   1.473
  399    HH2  TRP  45           HH2      TRP  45   8.164  12.033  -0.136
  400    H    LYS  46           H        LYS  46  10.216   5.220  -2.584
  401    HA   LYS  46           HA       LYS  46  12.674   6.022  -1.267
  402   1HB   LYS  46          2HB       LYS  46  12.459   4.677  -3.446
  403   2HB   LYS  46          3HB       LYS  46  12.077   6.213  -4.217
  404   1HG   LYS  46          2HG       LYS  46  14.228   7.133  -3.254
  405   2HG   LYS  46          3HG       LYS  46  14.619   5.493  -2.732
  406   1HD   LYS  46          2HD       LYS  46  14.374   4.728  -5.106
  407   2HD   LYS  46          3HD       LYS  46  14.139   6.409  -5.584
  408   1HE   LYS  46          2HE       LYS  46  16.354   6.998  -4.732
  409   2HE   LYS  46          3HE       LYS  46  16.591   5.352  -4.144
  410   1HZ   LYS  46          1HZ       LYS  46  17.419   6.185  -6.522
  411   2HZ   LYS  46          2HZ       LYS  46  15.875   5.620  -6.948
  412   3HZ   LYS  46          3HZ       LYS  46  16.989   4.575  -6.203
  413    H    SER  47           H        SER  47  12.242   7.941  -0.184
  414    HA   SER  47           HA       SER  47  10.869  10.154  -1.285
  415   1HB   SER  47          2HB       SER  47  11.412  11.267   0.663
  416   2HB   SER  47          3HB       SER  47  11.614   9.602   1.189
  417    HG   SER  47           HG       SER  47  13.889   9.983   0.360
  418    HA   PRO  48           HA       PRO  48  13.932  12.150  -3.751
  419   1HB   PRO  48          2HB       PRO  48  13.381  14.824  -2.831
  420   2HB   PRO  48          3HB       PRO  48  12.774  14.021  -4.287
  421   1HG   PRO  48          2HG       PRO  48  11.250  14.742  -2.105
  422   2HG   PRO  48          3HG       PRO  48  10.794  13.546  -3.327
  423   1HD   PRO  48          2HD       PRO  48  11.849  13.109  -0.565
  424   2HD   PRO  48          3HD       PRO  48  10.709  12.124  -1.512
  425    H    SER  49           H        SER  49  13.889  13.232  -0.375
  426    HA   SER  49           HA       SER  49  16.483  14.447  -0.430
  427   1HB   SER  49          2HB       SER  49  14.592  13.623   1.759
  428   2HB   SER  49          3HB       SER  49  16.214  14.199   2.131
  429    HG   SER  49           HG       SER  49  14.057  15.534   0.916
  430    H    GLY  50           H        GLY  50  15.735  11.335  -0.903
  431   1HA   GLY  50          1HA       GLY  50  17.238   9.549  -1.055
  432   2HA   GLY  50          2HA       GLY  50  18.352  10.419  -0.005
  433    H    LYS  51           H        LYS  51  15.638  10.797   1.642
  434    HA   LYS  51           HA       LYS  51  16.237   8.674   3.501
  435   1HB   LYS  51          2HB       LYS  51  15.521  10.964   4.219
  436   2HB   LYS  51          3HB       LYS  51  13.924  10.631   3.553
  437   1HG   LYS  51          2HG       LYS  51  13.728   8.665   5.059
  438   2HG   LYS  51          3HG       LYS  51  15.301   9.058   5.752
  439   1HD   LYS  51          2HD       LYS  51  13.138  11.148   5.693
  440   2HD   LYS  51          3HD       LYS  51  13.123   9.908   6.946
  441   1HE   LYS  51          2HE       LYS  51  15.482  10.526   7.521
  442   2HE   LYS  51          3HE       LYS  51  15.381  11.843   6.352
  443   1HZ   LYS  51          1HZ       LYS  51  13.129  12.049   7.938
  444   2HZ   LYS  51          2HZ       LYS  51  14.490  13.066   7.950
  445   3HZ   LYS  51          3HZ       LYS  51  14.406  11.741   9.010
  446    H    ILE  52           H        ILE  52  15.695   6.666   2.734
  447    HA   ILE  52           HA       ILE  52  13.183   6.210   1.364
  448    HB   ILE  52           HB       ILE  52  15.522   4.514   2.177
  449   1HG1  ILE  52          2HG1      ILE  52  15.604   4.013  -0.160
  450   2HG1  ILE  52          3HG1      ILE  52  13.961   4.594  -0.417
  451   1HG2  ILE  52          1HG2      ILE  52  13.812   3.044   2.900
  452   2HG2  ILE  52          2HG2      ILE  52  12.718   3.543   1.611
  453   3HG2  ILE  52          3HG2      ILE  52  14.123   2.545   1.239
  454   1HD1  ILE  52          1HD1      ILE  52  14.599   6.856  -0.197
  455   2HD1  ILE  52          2HD1      ILE  52  16.112   6.439   0.606
  456   3HD1  ILE  52          3HD1      ILE  52  15.920   6.143  -1.120
  457    H    LEU  53           H        LEU  53  11.382   6.375   2.534
  458    HA   LEU  53           HA       LEU  53  11.367   5.592   5.344
  459   1HB   LEU  53          2HB       LEU  53   9.254   6.863   3.596
  460   2HB   LEU  53          3HB       LEU  53   9.070   6.534   5.321
  461    HG   LEU  53           HG       LEU  53  11.478   8.056   4.383
  462   1HD1  LEU  53          1HD1      LEU  53   9.836   9.335   3.290
  463   2HD1  LEU  53          2HD1      LEU  53   8.652   9.071   4.571
  464   3HD1  LEU  53          3HD1      LEU  53  10.028  10.140   4.846
  465   1HD2  LEU  53          1HD2      LEU  53  10.835   9.219   6.646
  466   2HD2  LEU  53          2HD2      LEU  53   9.826   7.793   6.886
  467   3HD2  LEU  53          3HD2      LEU  53  11.568   7.615   6.685
  468    H    LYS  54           H        LYS  54  10.691   3.748   6.057
  469    HA   LYS  54           HA       LYS  54   9.515   1.799   4.238
  470   1HB   LYS  54          2HB       LYS  54  10.228   1.290   7.114
  471   2HB   LYS  54          3HB       LYS  54  10.224   0.172   5.756
  472   1HG   LYS  54          2HG       LYS  54  12.075   1.666   4.751
  473   2HG   LYS  54          3HG       LYS  54  12.215   2.353   6.369
  474   1HD   LYS  54          2HD       LYS  54  12.459  -0.050   7.216
  475   2HD   LYS  54          3HD       LYS  54  12.666  -0.516   5.527
  476   1HE   LYS  54          2HE       LYS  54  14.371   1.490   7.038
  477   2HE   LYS  54          3HE       LYS  54  14.856  -0.142   6.584
  478   1HZ   LYS  54          1HZ       LYS  54  14.359   0.554   4.229
  479   2HZ   LYS  54          2HZ       LYS  54  15.723   1.272   4.944
  480   3HZ   LYS  54          3HZ       LYS  54  14.275   2.147   4.801
  481    H    GLY  55           H        GLY  55   7.361   1.855   4.043
  482   1HA   GLY  55          1HA       GLY  55   5.682   2.560   6.353
  483   2HA   GLY  55          2HA       GLY  55   5.145   2.442   4.678
  484    H    LYS  56           H        LYS  56   3.492   1.171   6.262
  485    HA   LYS  56           HA       LYS  56   3.991  -1.635   5.669
  486   1HB   LYS  56          2HB       LYS  56   4.931  -1.086   8.006
  487   2HB   LYS  56          3HB       LYS  56   3.243  -0.930   8.498
  488   1HG   LYS  56          2HG       LYS  56   2.943  -3.252   7.338
  489   2HG   LYS  56          3HG       LYS  56   4.696  -3.368   7.491
  490   1HD   LYS  56          2HD       LYS  56   4.549  -3.045   9.906
  491   2HD   LYS  56          3HD       LYS  56   2.806  -2.802   9.794
  492   1HE   LYS  56          2HE       LYS  56   2.400  -5.056   9.245
  493   2HE   LYS  56          3HE       LYS  56   4.072  -5.335   8.758
  494   1HZ   LYS  56          1HZ       LYS  56   4.352  -4.573  11.317
  495   2HZ   LYS  56          2HZ       LYS  56   4.273  -6.190  10.798
  496   3HZ   LYS  56          3HZ       LYS  56   2.881  -5.411  11.387
  497    H    ILE  57           H        ILE  57   2.194  -2.628   5.064
  498    HA   ILE  57           HA       ILE  57  -0.318  -1.219   5.008
  499    HB   ILE  57           HB       ILE  57   0.449  -4.042   4.206
  500   1HG1  ILE  57          2HG1      ILE  57  -0.211  -1.643   2.475
  501   2HG1  ILE  57          3HG1      ILE  57   1.438  -2.058   2.946
  502   1HG2  ILE  57          1HG2      ILE  57  -2.137  -2.496   3.884
  503   2HG2  ILE  57          2HG2      ILE  57  -1.742  -3.924   2.929
  504   3HG2  ILE  57          3HG2      ILE  57  -1.909  -4.052   4.680
  505   1HD1  ILE  57          1HD1      ILE  57   0.546  -4.475   2.042
  506   2HD1  ILE  57          2HD1      ILE  57  -0.354  -3.376   0.996
  507   3HD1  ILE  57          3HD1      ILE  57   1.408  -3.307   1.039
  508    H    VAL  58           H        VAL  58  -2.168  -1.647   6.202
  509    HA   VAL  58           HA       VAL  58  -1.748  -3.343   8.581
  510    HB   VAL  58           HB       VAL  58  -4.036  -1.945   9.116
  511   1HG1  VAL  58          1HG1      VAL  58  -1.168  -1.079   9.593
  512   2HG1  VAL  58          2HG1      VAL  58  -2.568  -0.504  10.497
  513   3HG1  VAL  58          3HG1      VAL  58  -2.091  -2.199  10.596
  514   1HG2  VAL  58          1HG2      VAL  58  -2.202  -0.036   7.633
  515   2HG2  VAL  58          2HG2      VAL  58  -3.699  -0.673   6.953
  516   3HG2  VAL  58          3HG2      VAL  58  -3.747   0.346   8.393
  517    H    ARG  59           H        ARG  59  -3.932  -2.779   5.856
  518    HA   ARG  59           HA       ARG  59  -4.906  -5.469   6.024
  519   1HB   ARG  59          2HB       ARG  59  -7.375  -4.597   6.166
  520   2HB   ARG  59          3HB       ARG  59  -6.451  -4.885   7.635
  521   1HG   ARG  59          2HG       ARG  59  -5.859  -2.488   7.738
  522   2HG   ARG  59          3HG       ARG  59  -6.776  -2.200   6.259
  523   1HD   ARG  59          2HD       ARG  59  -8.073  -1.637   8.314
  524   2HD   ARG  59          3HD       ARG  59  -8.839  -2.897   7.351
  525    HE   ARG  59           HE       ARG  59  -7.864  -4.517   8.981
  526   1HH1  ARG  59          1HH2      ARG  59  -6.097  -2.782  10.580
  527   2HH1  ARG  59          2HH2      ARG  59  -7.073  -2.364  11.947
  528   1HH2  ARG  59          1HH1      ARG  59 -10.056  -3.282  10.433
  529   2HH2  ARG  59          2HH1      ARG  59  -9.316  -2.647  11.863
  530    H    VAL  60           H        VAL  60  -6.285  -6.063   4.281
  531    HA   VAL  60           HA       VAL  60  -5.916  -4.341   1.922
  532    HB   VAL  60           HB       VAL  60  -5.110  -6.684   1.778
  533   1HG1  VAL  60          1HG1      VAL  60  -8.001  -7.541   1.808
  534   2HG1  VAL  60          2HG1      VAL  60  -6.555  -8.534   1.977
  535   3HG1  VAL  60          3HG1      VAL  60  -7.064  -7.486   3.300
  536   1HG2  VAL  60          1HG2      VAL  60  -6.322  -7.236  -0.344
  537   2HG2  VAL  60          2HG2      VAL  60  -7.501  -5.982   0.037
  538   3HG2  VAL  60          3HG2      VAL  60  -5.820  -5.549  -0.272
  539    H    HIS  61           H        HIS  61  -7.582  -3.568   0.735
  540    HA   HIS  61           HA       HIS  61 -10.326  -4.389   1.396
  541   1HB   HIS  61          2HB       HIS  61  -9.843  -2.440   2.824
  542   2HB   HIS  61          3HB       HIS  61  -9.378  -1.510   1.401
  543    HD1  HIS  61           HD1      HIS  61 -11.260  -0.688  -0.162
  544    HD2  HIS  61           HD2      HIS  61 -12.663  -2.915   3.072
  545    HE1  HIS  61           HE1      HIS  61 -13.772  -0.373  -0.111
  546    H    GLY  62           H        GLY  62 -11.899  -3.369  -0.181
  547   1HA   GLY  62          1HA       GLY  62 -12.465  -2.539  -2.302
  548   2HA   GLY  62          2HA       GLY  62 -10.768  -2.584  -2.752
  549    H    THR  63           H        THR  63 -10.373  -5.350  -1.920
  550    HA   THR  63           HA       THR  63 -10.509  -7.483  -2.739
  551    HB   THR  63           HB       THR  63 -12.571  -8.393  -3.361
  552    HG1  THR  63           HG1      THR  63 -13.893  -6.045  -3.901
  553   1HG2  THR  63          1HG2      THR  63 -12.463  -6.996  -1.115
  554   2HG2  THR  63          2HG2      THR  63 -13.677  -6.010  -1.932
  555   3HG2  THR  63          3HG2      THR  63 -13.977  -7.725  -1.652
  556    H    LYS  64           H        LYS  64 -11.327  -4.860  -4.947
  557    HA   LYS  64           HA       LYS  64 -10.388  -6.378  -7.266
  558   1HB   LYS  64          2HB       LYS  64 -11.024  -4.398  -8.554
  559   2HB   LYS  64          3HB       LYS  64 -12.351  -4.873  -7.495
  560   1HG   LYS  64          2HG       LYS  64 -11.469  -3.186  -5.810
  561   2HG   LYS  64          3HG       LYS  64 -10.380  -2.612  -7.072
  562   1HD   LYS  64          2HD       LYS  64 -13.388  -2.773  -7.402
  563   2HD   LYS  64          3HD       LYS  64 -12.538  -1.313  -6.897
  564   1HE   LYS  64          2HE       LYS  64 -12.534  -0.917  -9.161
  565   2HE   LYS  64          3HE       LYS  64 -11.079  -1.911  -9.083
  566   1HZ   LYS  64          1HZ       LYS  64 -13.809  -2.709  -9.884
  567   2HZ   LYS  64          2HZ       LYS  64 -12.652  -3.861  -9.410
  568   3HZ   LYS  64          3HZ       LYS  64 -12.363  -2.866 -10.758
  569    H    GLY  65           H        GLY  65  -9.153  -4.618  -4.774
  570   1HA   GLY  65          1HA       GLY  65  -6.639  -4.686  -4.779
  571   2HA   GLY  65          2HA       GLY  65  -6.762  -3.720  -6.248
  572    H    ALA  66           H        ALA  66  -6.215  -3.553  -3.064
  573    HA   ALA  66           HA       ALA  66  -6.037  -0.814  -2.826
  574   1HB   ALA  66          1HB       ALA  66  -8.775  -1.623  -2.667
  575   2HB   ALA  66          2HB       ALA  66  -8.264  -1.111  -1.061
  576   3HB   ALA  66          3HB       ALA  66  -8.097  -0.015  -2.430
  577    H    VAL  67           H        VAL  67  -5.269  -0.216  -0.729
  578    HA   VAL  67           HA       VAL  67  -5.316  -2.191   1.396
  579    HB   VAL  67           HB       VAL  67  -2.806  -2.240   1.575
  580   1HG1  VAL  67          1HG1      VAL  67  -4.246  -4.059   0.511
  581   2HG1  VAL  67          2HG1      VAL  67  -3.777  -3.386  -1.049
  582   3HG1  VAL  67          3HG1      VAL  67  -2.549  -4.040   0.031
  583   1HG2  VAL  67          1HG2      VAL  67  -1.510  -1.686  -0.451
  584   2HG2  VAL  67          2HG2      VAL  67  -2.981  -1.123  -1.243
  585   3HG2  VAL  67          3HG2      VAL  67  -2.349  -0.262   0.160
  586    H    ARG  68           H        ARG  68  -4.983  -1.298   3.373
  587    HA   ARG  68           HA       ARG  68  -4.817   1.616   3.485
  588   1HB   ARG  68          2HB       ARG  68  -5.821  -0.546   5.230
  589   2HB   ARG  68          3HB       ARG  68  -5.038   0.785   6.081
  590   1HG   ARG  68          2HG       ARG  68  -7.362   1.360   5.890
  591   2HG   ARG  68          3HG       ARG  68  -6.490   2.368   4.735
  592   1HD   ARG  68          2HD       ARG  68  -8.431   1.489   3.610
  593   2HD   ARG  68          3HD       ARG  68  -7.018   0.663   2.960
  594    HE   ARG  68           HE       ARG  68  -7.751  -1.318   3.987
  595   1HH1  ARG  68          1HH1      ARG  68 -10.499  -0.353   3.240
  596   2HH1  ARG  68          2HH1      ARG  68 -11.366  -0.511   4.731
  597   1HH2  ARG  68          1HH2      ARG  68  -8.502  -0.745   6.673
  598   2HH2  ARG  68          2HH2      ARG  68 -10.232  -0.734   6.677
  599    H    ALA  69           H        ALA  69  -3.249   2.722   4.742
  600    HA   ALA  69           HA       ALA  69  -0.977   1.166   5.743
  601   1HB   ALA  69          1HB       ALA  69  -0.080   1.483   3.628
  602   2HB   ALA  69          2HB       ALA  69  -0.896   3.029   3.396
  603   3HB   ALA  69          3HB       ALA  69   0.505   2.922   4.463
  604    H    ARG  70           H        ARG  70   0.585   2.516   6.904
  605    HA   ARG  70           HA       ARG  70  -0.400   5.113   7.837
  606   1HB   ARG  70          2HB       ARG  70   0.273   2.875   9.764
  607   2HB   ARG  70          3HB       ARG  70  -0.288   4.495  10.174
  608   1HG   ARG  70          2HG       ARG  70  -2.388   3.983   8.832
  609   2HG   ARG  70          3HG       ARG  70  -1.838   2.307   8.773
  610   1HD   ARG  70          2HD       ARG  70  -1.687   2.359  11.291
  611   2HD   ARG  70          3HD       ARG  70  -2.466   3.937  11.246
  612    HE   ARG  70           HE       ARG  70  -4.297   2.607   9.949
  613   1HH1  ARG  70          1HH2      ARG  70  -2.763   2.006  12.950
  614   2HH1  ARG  70          2HH2      ARG  70  -3.733   0.628  13.346
  615   1HH2  ARG  70          1HH1      ARG  70  -5.375   0.565  10.297
  616   2HH2  ARG  70          2HH1      ARG  70  -5.207  -0.185  11.849
  617    H    PHE  71           H        PHE  71   1.268   6.464   7.774
  618    HA   PHE  71           HA       PHE  71   4.005   5.405   7.874
  619   1HB   PHE  71          2HB       PHE  71   2.844   8.004   6.901
  620   2HB   PHE  71          3HB       PHE  71   4.579   7.769   7.119
  621    HD1  PHE  71           HD1      PHE  71   5.868   6.499   5.564
  622    HD2  PHE  71           HD2      PHE  71   1.578   6.471   5.328
  623    HE1  PHE  71           HE1      PHE  71   5.995   5.326   3.383
  624    HE2  PHE  71           HE2      PHE  71   1.708   5.302   3.146
  625    HZ   PHE  71           HZ       PHE  71   3.915   4.728   2.173
  626    H    GLU  72           H        GLU  72   5.465   5.909   9.360
  627    HA   GLU  72           HA       GLU  72   4.537   6.971  11.866
  628   1HB   GLU  72          2HB       GLU  72   6.959   6.674  12.534
  629   2HB   GLU  72          3HB       GLU  72   6.165   5.208  11.960
  630   1HG   GLU  72          2HG       GLU  72   7.127   5.660   9.678
  631   2HG   GLU  72          3HG       GLU  72   8.038   6.994  10.381
  632    H    LYS  73           H        LYS  73   4.274   8.734   9.680
  633    HA   LYS  73           HA       LYS  73   4.321  11.093   9.643
  634   1HB   LYS  73          2HB       LYS  73   5.547  10.898  11.910
  635   2HB   LYS  73          3HB       LYS  73   7.008  11.004  10.946
  636   1HG   LYS  73          2HG       LYS  73   5.804  13.091   9.869
  637   2HG   LYS  73          3HG       LYS  73   4.878  13.074  11.370
  638   1HD   LYS  73          2HD       LYS  73   6.634  14.396  12.063
  639   2HD   LYS  73          3HD       LYS  73   7.330  12.817  12.421
  640   1HE   LYS  73          2HE       LYS  73   8.299  12.859  10.054
  641   2HE   LYS  73          3HE       LYS  73   7.837  14.561  10.001
  642   1HZ   LYS  73          1HZ       LYS  73  10.168  14.062  10.765
  643   2HZ   LYS  73          2HZ       LYS  73   9.484  13.424  12.184
  644   3HZ   LYS  73          3HZ       LYS  73   9.254  15.060  11.786
  645    H    GLY  74           H        GLY  74   7.058   9.036   9.121
  646   1HA   GLY  74          1HA       GLY  74   8.970   9.873   7.691
  647   2HA   GLY  74          2HA       GLY  74   7.948   8.684   6.900
  648    H    LEU  75           H        LEU  75   5.851   9.878   5.918
  649    HA   LEU  75           HA       LEU  75   6.727  11.342   3.706
  650   1HB   LEU  75          2HB       LEU  75   3.935  11.601   4.812
  651   2HB   LEU  75          3HB       LEU  75   4.456  11.615   3.128
  652    HG   LEU  75           HG       LEU  75   4.434   9.239   5.014
  653   1HD1  LEU  75          1HD1      LEU  75   3.006   8.358   3.040
  654   2HD1  LEU  75          2HD1      LEU  75   2.266   9.530   4.127
  655   3HD1  LEU  75          3HD1      LEU  75   2.880  10.048   2.556
  656   1HD2  LEU  75          1HD2      LEU  75   5.782   9.691   2.361
  657   2HD2  LEU  75          2HD2      LEU  75   6.372   8.817   3.775
  658   3HD2  LEU  75          3HD2      LEU  75   5.141   8.092   2.740
  659    HA   PRO  76           HA       PRO  76   7.359  15.233   5.879
  660   1HB   PRO  76          2HB       PRO  76   8.296  16.396   3.414
  661   2HB   PRO  76          3HB       PRO  76   9.240  15.914   4.831
  662   1HG   PRO  76          2HG       PRO  76   9.255  14.688   2.331
  663   2HG   PRO  76          3HG       PRO  76   9.938  14.043   3.828
  664   1HD   PRO  76          2HD       PRO  76   7.463  13.262   2.422
  665   2HD   PRO  76          3HD       PRO  76   8.421  12.358   3.616
  666    H    GLY  77           H        GLY  77   6.991  17.665   4.987
  667   1HA   GLY  77          1HA       GLY  77   4.266  18.119   4.863
  668   2HA   GLY  77          2HA       GLY  77   5.481  19.269   4.314
  669    H    GLN  78           H        GLN  78   2.852  17.482   3.376
  670    HA   GLN  78           HA       GLN  78   1.805  17.195   1.356
  671   1HB   GLN  78          2HB       GLN  78   3.088  19.490   0.954
  672   2HB   GLN  78          3HB       GLN  78   4.020  18.497  -0.165
  673   1HG   GLN  78          2HG       GLN  78   1.000  18.484  -0.184
  674   2HG   GLN  78          3HG       GLN  78   1.920  19.676  -1.097
  675   1HE2  GLN  78          2HE2      GLN  78   0.243  17.133  -1.869
  676   2HE2  GLN  78          1HE2      GLN  78   1.263  16.330  -2.963
  677    H    ALA  79           H        ALA  79   1.791  15.694  -0.269
  678    HA   ALA  79           HA       ALA  79   3.833  14.490  -1.639
  679   1HB   ALA  79          1HB       ALA  79   5.043  13.602   0.103
  680   2HB   ALA  79          2HB       ALA  79   3.636  13.478   1.159
  681   3HB   ALA  79          3HB       ALA  79   3.887  12.290  -0.119
  682    H    LEU  80           H        LEU  80   0.769  14.310  -0.082
  683    HA   LEU  80           HA       LEU  80  -0.374  11.956  -0.814
  684   1HB   LEU  80          2HB       LEU  80  -1.528  13.802   0.385
  685   2HB   LEU  80          3HB       LEU  80  -1.668  14.673  -1.142
  686    HG   LEU  80           HG       LEU  80  -2.748  12.391  -1.970
  687   1HD1  LEU  80          1HD1      LEU  80  -3.692  12.346   0.884
  688   2HD1  LEU  80          2HD1      LEU  80  -3.763  11.070  -0.333
  689   3HD1  LEU  80          3HD1      LEU  80  -2.227  11.472   0.435
  690   1HD2  LEU  80          1HD2      LEU  80  -4.136  14.461  -0.241
  691   2HD2  LEU  80          2HD2      LEU  80  -3.936  14.509  -1.991
  692   3HD2  LEU  80          3HD2      LEU  80  -4.983  13.297  -1.256
  693    H    GLY  81           H        GLY  81  -0.804  10.900  -2.639
  694   1HA   GLY  81          1HA       GLY  81  -1.598  10.721  -4.868
  695   2HA   GLY  81          2HA       GLY  81  -1.076  12.370  -5.169
  696    H    ASP  82           H        ASP  82   1.485  11.184  -3.560
  697    HA   ASP  82           HA       ASP  82   3.044  10.848  -5.937
  698   1HB   ASP  82          2HB       ASP  82   3.651  10.442  -3.000
  699   2HB   ASP  82          3HB       ASP  82   4.844  10.179  -4.269
  700    H    TYR  83           H        TYR  83   3.678   9.007  -6.937
  701    HA   TYR  83           HA       TYR  83   2.251   6.593  -6.416
  702   1HB   TYR  83          2HB       TYR  83   4.458   7.420  -8.275
  703   2HB   TYR  83          3HB       TYR  83   4.137   5.702  -8.046
  704    HD1  TYR  83           HD1      TYR  83   2.433   4.664  -9.277
  705    HD2  TYR  83           HD2      TYR  83   2.376   8.933  -8.787
  706    HE1  TYR  83           HE1      TYR  83   0.504   4.816 -10.828
  707    HE2  TYR  83           HE2      TYR  83   0.447   9.085 -10.337
  708    HH   TYR  83           HH       TYR  83  -0.712   7.921 -11.944
  709    H    VAL  84           H        VAL  84   2.768   4.958  -5.072
  710    HA   VAL  84           HA       VAL  84   5.249   5.195  -3.545
  711    HB   VAL  84           HB       VAL  84   4.258   3.252  -2.242
  712   1HG1  VAL  84          1HG1      VAL  84   2.254   4.845  -1.464
  713   2HG1  VAL  84          2HG1      VAL  84   3.937   5.226  -1.107
  714   3HG1  VAL  84          3HG1      VAL  84   3.126   6.003  -2.466
  715   1HG2  VAL  84          1HG2      VAL  84   1.971   2.643  -2.609
  716   2HG2  VAL  84          2HG2      VAL  84   1.735   3.952  -3.767
  717   3HG2  VAL  84          3HG2      VAL  84   2.752   2.573  -4.188
  718    H    GLU  85           H        GLU  85   6.339   3.035  -3.031
  719    HA   GLU  85           HA       GLU  85   6.315   1.162  -5.264
  720   1HB   GLU  85          2HB       GLU  85   8.777   2.753  -4.494
  721   2HB   GLU  85          3HB       GLU  85   8.765   1.374  -5.594
  722   1HG   GLU  85          2HG       GLU  85   7.109   2.619  -7.024
  723   2HG   GLU  85          3HG       GLU  85   7.345   4.023  -5.984
  724    H    ILE  86           H        ILE  86   7.317  -0.791  -4.766
  725    HA   ILE  86           HA       ILE  86   7.818  -1.142  -1.877
  726    HB   ILE  86           HB       ILE  86   7.073  -3.279  -3.887
  727   1HG1  ILE  86          2HG1      ILE  86   5.299  -1.622  -2.054
  728   2HG1  ILE  86          3HG1      ILE  86   5.289  -1.591  -3.815
  729   1HG2  ILE  86          1HG2      ILE  86   8.126  -3.589  -1.414
  730   2HG2  ILE  86          2HG2      ILE  86   6.423  -3.441  -0.987
  731   3HG2  ILE  86          3HG2      ILE  86   6.948  -4.708  -2.092
  732   1HD1  ILE  86          1HD1      ILE  86   3.612  -3.108  -3.590
  733   2HD1  ILE  86          2HD1      ILE  86   4.931  -4.255  -3.358
  734   3HD1  ILE  86          3HD1      ILE  86   4.108  -3.563  -1.960
  735    H    VAL  87           H        VAL  87   9.984  -0.206  -2.446
  736    HA   VAL  87           HA       VAL  87  11.689  -1.925  -4.070
  737    HB   VAL  87           HB       VAL  87  12.802   0.288  -2.399
  738   1HG1  VAL  87          1HG1      VAL  87  14.326  -0.954  -3.811
  739   2HG1  VAL  87          2HG1      VAL  87  13.245  -0.799  -5.195
  740   3HG1  VAL  87          3HG1      VAL  87  14.073   0.623  -4.558
  741   1HG2  VAL  87          1HG2      VAL  87  10.751   1.282  -3.265
  742   2HG2  VAL  87          2HG2      VAL  87  12.105   1.889  -4.209
  743   3HG2  VAL  87          3HG2      VAL  87  11.065   0.628  -4.868
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  13.625  -7.393  -8.828
    2   2H    MET   1          2HT       MET   1  12.639  -8.630  -8.207
    3   3H    MET   1          3HT       MET   1  12.840  -7.184  -7.340
    4    HA   MET   1           HA       MET   1  11.913  -6.557  -9.911
    5   1HB   MET   1          2HB       MET   1   9.734  -7.702  -9.842
    6   2HB   MET   1          3HB       MET   1  11.050  -8.872  -9.932
    7   1HG   MET   1          2HG       MET   1  10.924  -8.974  -7.368
    8   2HG   MET   1          3HG       MET   1   9.387  -8.121  -7.521
    9   1HE   MET   1          1HE       MET   1  10.531 -11.345  -6.648
   10   2HE   MET   1          2HE       MET   1   8.925 -12.062  -6.771
   11   3HE   MET   1          3HE       MET   1   9.121 -10.477  -6.021
   12    H    ARG   2           H        ARG   2  10.748  -4.729  -9.671
   13    HA   ARG   2           HA       ARG   2  10.108  -3.907  -6.910
   14   1HB   ARG   2          2HB       ARG   2  10.184  -2.018  -9.240
   15   2HB   ARG   2          3HB       ARG   2  10.512  -1.703  -7.534
   16   1HG   ARG   2          2HG       ARG   2  12.553  -3.210  -7.774
   17   2HG   ARG   2          3HG       ARG   2  12.273  -3.171  -9.515
   18   1HD   ARG   2          2HD       ARG   2  12.516  -0.644  -7.875
   19   2HD   ARG   2          3HD       ARG   2  13.919  -1.440  -8.584
   20    HE   ARG   2           HE       ARG   2  11.839  -0.987 -10.515
   21   1HH1  ARG   2          1HH2      ARG   2  14.032   0.829  -8.582
   22   2HH1  ARG   2          2HH2      ARG   2  14.542   1.866  -9.873
   23   1HH2  ARG   2          1HH1      ARG   2  12.687   0.209 -12.290
   24   2HH2  ARG   2          2HH1      ARG   2  13.780   1.516 -11.971
   25    H    ILE   3           H        ILE   3   8.284  -2.249  -6.856
   26    HA   ILE   3           HA       ILE   3   6.100  -2.832  -8.718
   27    HB   ILE   3           HB       ILE   3   5.580  -2.978  -5.748
   28   1HG1  ILE   3          2HG1      ILE   3   6.376  -5.214  -7.643
   29   2HG1  ILE   3          3HG1      ILE   3   7.179  -4.752  -6.141
   30   1HG2  ILE   3          1HG2      ILE   3   3.739  -2.607  -7.472
   31   2HG2  ILE   3          2HG2      ILE   3   4.103  -4.218  -8.085
   32   3HG2  ILE   3          3HG2      ILE   3   3.525  -4.014  -6.432
   33   1HD1  ILE   3          1HD1      ILE   3   5.936  -6.539  -5.376
   34   2HD1  ILE   3          2HD1      ILE   3   4.760  -5.249  -5.122
   35   3HD1  ILE   3          3HD1      ILE   3   4.643  -6.281  -6.547
   36    H    LYS   4           H        LYS   4   4.346  -1.228  -8.520
   37    HA   LYS   4           HA       LYS   4   5.014   1.154  -6.955
   38   1HB   LYS   4          2HB       LYS   4   4.511   2.455  -9.209
   39   2HB   LYS   4          3HB       LYS   4   6.139   1.911  -8.805
   40   1HG   LYS   4          2HG       LYS   4   6.039   0.091 -10.285
   41   2HG   LYS   4          3HG       LYS   4   4.277   0.108 -10.340
   42   1HD   LYS   4          2HD       LYS   4   5.322   1.003 -12.429
   43   2HD   LYS   4          3HD       LYS   4   4.286   2.177 -11.617
   44   1HE   LYS   4          2HE       LYS   4   7.200   2.120 -10.913
   45   2HE   LYS   4          3HE       LYS   4   6.714   2.863 -12.438
   46   1HZ   LYS   4          1HZ       LYS   4   6.467   4.639 -11.079
   47   2HZ   LYS   4          2HZ       LYS   4   6.160   3.699  -9.698
   48   3HZ   LYS   4          3HZ       LYS   4   4.934   3.955 -10.846
   49    H    GLY   5           H        GLY   5   3.238   1.398  -5.846
   50   1HA   GLY   5          1HA       GLY   5   0.598   1.070  -7.093
   51   2HA   GLY   5          2HA       GLY   5   0.923   1.216  -5.366
   52    H    VAL   6           H        VAL   6  -0.991   2.844  -5.946
   53    HA   VAL   6           HA       VAL   6   0.262   5.497  -6.001
   54    HB   VAL   6           HB       VAL   6  -2.028   4.718  -7.831
   55   1HG1  VAL   6          1HG1      VAL   6  -2.360   6.971  -6.969
   56   2HG1  VAL   6          2HG1      VAL   6  -0.673   7.378  -7.284
   57   3HG1  VAL   6          3HG1      VAL   6  -1.774   7.090  -8.628
   58   1HG2  VAL   6          1HG2      VAL   6   0.834   5.573  -8.371
   59   2HG2  VAL   6          2HG2      VAL   6   0.146   3.981  -8.684
   60   3HG2  VAL   6          3HG2      VAL   6  -0.402   5.374  -9.613
   61    H    VAL   7           H        VAL   7  -0.651   6.893  -4.639
   62    HA   VAL   7           HA       VAL   7  -2.623   5.972  -2.777
   63    HB   VAL   7           HB       VAL   7  -1.170   8.586  -3.187
   64   1HG1  VAL   7          1HG1      VAL   7  -3.176   9.409  -2.297
   65   2HG1  VAL   7          2HG1      VAL   7  -3.481   7.943  -1.365
   66   3HG1  VAL   7          3HG1      VAL   7  -2.236   9.076  -0.843
   67   1HG2  VAL   7          1HG2      VAL   7  -0.147   7.960  -1.044
   68   2HG2  VAL   7          2HG2      VAL   7  -1.186   6.538  -0.946
   69   3HG2  VAL   7          3HG2      VAL   7   0.040   6.647  -2.206
   70    H    LEU   8           H        LEU   8  -4.741   6.587  -2.542
   71    HA   LEU   8           HA       LEU   8  -5.931   7.984  -4.862
   72   1HB   LEU   8          2HB       LEU   8  -7.301   6.113  -2.921
   73   2HB   LEU   8          3HB       LEU   8  -7.958   6.754  -4.428
   74    HG   LEU   8           HG       LEU   8  -5.547   4.921  -4.197
   75   1HD1  LEU   8          1HD1      LEU   8  -8.460   4.479  -4.798
   76   2HD1  LEU   8          2HD1      LEU   8  -7.251   3.446  -5.559
   77   3HD1  LEU   8          3HD1      LEU   8  -7.368   3.518  -3.801
   78   1HD2  LEU   8          1HD2      LEU   8  -6.068   4.792  -6.757
   79   2HD2  LEU   8          2HD2      LEU   8  -6.909   6.320  -6.498
   80   3HD2  LEU   8          3HD2      LEU   8  -5.187   6.191  -6.146
   81    H    SER   9           H        SER   9  -5.825   7.808  -1.344
   82    HA   SER   9           HA       SER   9  -6.776  10.531  -1.126
   83   1HB   SER   9          2HB       SER   9  -8.496   8.206  -0.273
   84   2HB   SER   9          3HB       SER   9  -8.642   9.789   0.483
   85    HG   SER   9           HG       SER   9 -10.060   9.606  -1.274
   86    H    TYR  10           H        TYR  10  -5.959  11.483   0.639
   87    HA   TYR  10           HA       TYR  10  -4.584   9.760   2.602
   88   1HB   TYR  10          2HB       TYR  10  -3.134  11.321   1.385
   89   2HB   TYR  10          3HB       TYR  10  -4.133  12.675   1.917
   90    HD1  TYR  10           HD1      TYR  10  -3.789  13.682   4.035
   91    HD2  TYR  10           HD2      TYR  10  -2.030   9.860   3.171
   92    HE1  TYR  10           HE1      TYR  10  -2.510  13.791   6.155
   93    HE2  TYR  10           HE2      TYR  10  -0.751   9.968   5.290
   94    HH   TYR  10           HH       TYR  10  -0.394  11.103   7.161
   95    H    ARG  11           H        ARG  11  -6.059   9.364   4.177
   96    HA   ARG  11           HA       ARG  11  -7.728  11.536   5.202
   97   1HB   ARG  11          2HB       ARG  11  -7.778   8.593   5.264
   98   2HB   ARG  11          3HB       ARG  11  -8.246   9.350   6.786
   99   1HG   ARG  11          2HG       ARG  11 -10.257   9.130   5.496
  100   2HG   ARG  11          3HG       ARG  11  -9.815  10.835   5.432
  101   1HD   ARG  11          2HD       ARG  11  -8.628  10.334   3.244
  102   2HD   ARG  11          3HD       ARG  11  -9.362   8.735   3.296
  103    HE   ARG  11           HE       ARG  11 -11.416  10.618   3.619
  104   1HH1  ARG  11          1HH1      ARG  11 -11.667   8.586   1.517
  105   2HH1  ARG  11          2HH1      ARG  11 -11.513   9.493   0.050
  106   1HH2  ARG  11          1HH2      ARG  11 -10.101  12.258   1.592
  107   2HH2  ARG  11          2HH2      ARG  11 -10.625  11.570   0.091
  108    H    ARG  12           H        ARG  12  -7.359  12.594   7.092
  109    HA   ARG  12           HA       ARG  12  -4.939  11.825   8.589
  110   1HB   ARG  12          2HB       ARG  12  -5.265  14.177   9.597
  111   2HB   ARG  12          3HB       ARG  12  -4.731  14.064   7.922
  112   1HG   ARG  12          2HG       ARG  12  -7.090  14.338   7.177
  113   2HG   ARG  12          3HG       ARG  12  -7.578  14.534   8.860
  114   1HD   ARG  12          2HD       ARG  12  -6.273  16.540   9.087
  115   2HD   ARG  12          3HD       ARG  12  -5.497  16.281   7.528
  116    HE   ARG  12           HE       ARG  12  -7.654  16.762   6.477
  117   1HH1  ARG  12          1HH2      ARG  12  -6.687  18.578   9.081
  118   2HH1  ARG  12          2HH2      ARG  12  -8.241  19.250   9.449
  119   1HH2  ARG  12          1HH1      ARG  12  -9.953  17.153   7.285
  120   2HH2  ARG  12          2HH1      ARG  12 -10.088  18.444   8.431
  121    H    SER  13           H        SER  13  -6.583  10.053   9.354
  122    HA   SER  13           HA       SER  13  -7.718   9.119  11.114
  123   1HB   SER  13          2HB       SER  13  -5.781  10.404  12.297
  124   2HB   SER  13          3HB       SER  13  -7.048  11.523  12.789
  125    HG   SER  13           HG       SER  13  -6.595   8.873  13.512
  126    H    LYS  14           H        LYS  14  -9.584   9.417  12.606
  127    HA   LYS  14           HA       LYS  14 -11.308  11.690  11.843
  128   1HB   LYS  14          2HB       LYS  14 -11.753   9.399  10.645
  129   2HB   LYS  14          3HB       LYS  14 -12.479   8.950  12.186
  130   1HG   LYS  14          2HG       LYS  14 -13.706  11.265  11.968
  131   2HG   LYS  14          3HG       LYS  14 -13.321  11.097  10.257
  132   1HD   LYS  14          2HD       LYS  14 -14.935   9.186  11.969
  133   2HD   LYS  14          3HD       LYS  14 -15.511  10.142  10.604
  134   1HE   LYS  14          2HE       LYS  14 -13.626   7.777  10.549
  135   2HE   LYS  14          3HE       LYS  14 -15.188   7.938   9.749
  136   1HZ   LYS  14          1HZ       LYS  14 -13.436   8.261   8.164
  137   2HZ   LYS  14          2HZ       LYS  14 -12.719   9.465   9.124
  138   3HZ   LYS  14          3HZ       LYS  14 -14.234   9.737   8.405
  139    H    GLU  15           H        GLU  15 -11.623   8.774  13.874
  140    HA   GLU  15           HA       GLU  15 -12.334  10.539  16.140
  141   1HB   GLU  15          2HB       GLU  15 -13.107   7.671  15.545
  142   2HB   GLU  15          3HB       GLU  15 -13.484   8.505  17.052
  143   1HG   GLU  15          2HG       GLU  15 -14.902  10.068  15.961
  144   2HG   GLU  15          3HG       GLU  15 -14.283   9.638  14.366
  145    H    ASN  16           H        ASN  16  -9.623  10.161  15.572
  146    HA   ASN  16           HA       ASN  16  -7.629   9.372  16.424
  147   1HB   ASN  16          2HB       ASN  16  -8.339  10.767  18.280
  148   2HB   ASN  16          3HB       ASN  16  -9.337   9.465  18.926
  149   1HD2  ASN  16          2HD2      ASN  16  -7.868   9.883  20.905
  150   2HD2  ASN  16          1HD2      ASN  16  -6.390   9.048  20.964
  151    H    GLN  17           H        GLN  17  -7.779   7.358  15.241
  152    HA   GLN  17           HA       GLN  17  -8.580   5.043  16.877
  153   1HB   GLN  17          2HB       GLN  17  -9.631   5.208  14.658
  154   2HB   GLN  17          3HB       GLN  17  -8.038   5.230  13.903
  155   1HG   GLN  17          2HG       GLN  17  -9.027   2.966  13.837
  156   2HG   GLN  17          3HG       GLN  17  -7.558   2.990  14.810
  157   1HE2  GLN  17          2HE2      GLN  17 -11.013   2.428  14.895
  158   2HE2  GLN  17          1HE2      GLN  17 -11.104   2.032  16.543
  159    H    HIS  18           H        HIS  18  -5.863   6.603  15.323
  160    HA   HIS  18           HA       HIS  18  -3.950   5.197  16.854
  161   1HB   HIS  18          2HB       HIS  18  -4.731   3.470  15.027
  162   2HB   HIS  18          3HB       HIS  18  -3.747   4.454  13.946
  163    HD1  HIS  18           HD1      HIS  18  -3.265   1.453  15.394
  164    HD2  HIS  18           HD2      HIS  18  -1.171   5.018  15.937
  165    HE1  HIS  18           HE1      HIS  18  -0.990   0.818  16.308
  166    H    ASN  19           H        ASN  19  -4.426   6.540  13.608
  167    HA   ASN  19           HA       ASN  19  -3.198   8.975  14.139
  168   1HB   ASN  19          2HB       ASN  19  -1.206   7.241  14.206
  169   2HB   ASN  19          3HB       ASN  19  -1.331   7.336  12.453
  170   1HD2  ASN  19          2HD2      ASN  19   0.972   8.309  12.900
  171   2HD2  ASN  19          1HD2      ASN  19   1.037   9.992  13.117
  172    H    ASN  20           H        ASN  20  -1.894   9.258  11.540
  173    HA   ASN  20           HA       ASN  20  -4.224   9.809   9.949
  174   1HB   ASN  20          2HB       ASN  20  -1.427   9.893   8.864
  175   2HB   ASN  20          3HB       ASN  20  -2.782  10.973   8.540
  176   1HD2  ASN  20          2HD2      ASN  20   0.101  11.372   9.729
  177   2HD2  ASN  20          1HD2      ASN  20  -0.193  12.327  11.102
  178    H    VAL  21           H        VAL  21  -5.171   8.512   8.506
  179    HA   VAL  21           HA       VAL  21  -3.766   6.039   7.700
  180    HB   VAL  21           HB       VAL  21  -6.721   6.715   7.729
  181   1HG1  VAL  21          1HG1      VAL  21  -6.972   4.269   7.195
  182   2HG1  VAL  21          2HG1      VAL  21  -6.258   5.205   5.883
  183   3HG1  VAL  21          3HG1      VAL  21  -5.234   4.199   6.910
  184   1HG2  VAL  21          1HG2      VAL  21  -6.707   4.849   9.457
  185   2HG2  VAL  21          2HG2      VAL  21  -4.948   4.953   9.445
  186   3HG2  VAL  21          3HG2      VAL  21  -5.909   6.336   9.966
  187    H    MET  22           H        MET  22  -3.877   5.345   5.493
  188    HA   MET  22           HA       MET  22  -4.801   7.316   3.532
  189   1HB   MET  22          2HB       MET  22  -2.711   7.487   2.401
  190   2HB   MET  22          3HB       MET  22  -2.382   7.801   4.102
  191   1HG   MET  22          2HG       MET  22  -1.909   5.233   4.235
  192   2HG   MET  22          3HG       MET  22  -1.745   5.344   2.482
  193   1HE   MET  22          1HE       MET  22  -0.742   7.060   1.380
  194   2HE   MET  22          2HE       MET  22   0.997   6.780   1.443
  195   3HE   MET  22          3HE       MET  22   0.338   8.310   2.015
  196    H    ILE  23           H        ILE  23  -5.375   6.464   1.587
  197    HA   ILE  23           HA       ILE  23  -5.569   3.545   1.467
  198    HB   ILE  23           HB       ILE  23  -6.777   5.629  -0.373
  199   1HG1  ILE  23          2HG1      ILE  23  -7.648   6.018   1.844
  200   2HG1  ILE  23          3HG1      ILE  23  -8.880   5.133   0.951
  201   1HG2  ILE  23          1HG2      ILE  23  -8.067   3.899  -1.284
  202   2HG2  ILE  23          2HG2      ILE  23  -6.509   3.111  -1.052
  203   3HG2  ILE  23          3HG2      ILE  23  -7.816   2.841   0.102
  204   1HD1  ILE  23          1HD1      ILE  23  -7.070   4.161   3.143
  205   2HD1  ILE  23          2HD1      ILE  23  -8.811   3.945   2.959
  206   3HD1  ILE  23          3HD1      ILE  23  -7.697   3.014   1.959
  207    H    ILE  24           H        ILE  24  -4.686   2.310  -0.163
  208    HA   ILE  24           HA       ILE  24  -2.949   3.678  -2.124
  209    HB   ILE  24           HB       ILE  24  -2.235   1.479  -0.196
  210   1HG1  ILE  24          2HG1      ILE  24  -0.701   3.916  -1.145
  211   2HG1  ILE  24          3HG1      ILE  24  -1.755   3.919   0.269
  212   1HG2  ILE  24          1HG2      ILE  24  -1.569   0.503  -2.273
  213   2HG2  ILE  24          2HG2      ILE  24  -1.005   2.051  -2.905
  214   3HG2  ILE  24          3HG2      ILE  24  -0.115   1.248  -1.612
  215   1HD1  ILE  24          1HD1      ILE  24  -0.241   1.717   0.793
  216   2HD1  ILE  24          2HD1      ILE  24   0.924   2.709  -0.084
  217   3HD1  ILE  24          3HD1      ILE  24   0.153   3.335   1.373
  218    H    LYS  25           H        LYS  25  -2.472   2.420  -4.014
  219    HA   LYS  25           HA       LYS  25  -4.189   0.074  -4.468
  220   1HB   LYS  25          2HB       LYS  25  -5.394   2.106  -5.277
  221   2HB   LYS  25          3HB       LYS  25  -4.039   2.430  -6.363
  222   1HG   LYS  25          2HG       LYS  25  -4.752  -0.295  -6.740
  223   2HG   LYS  25          3HG       LYS  25  -6.257   0.624  -6.739
  224   1HD   LYS  25          2HD       LYS  25  -3.826   1.334  -8.414
  225   2HD   LYS  25          3HD       LYS  25  -5.215   0.430  -9.011
  226   1HE   LYS  25          2HE       LYS  25  -6.137   2.425  -9.528
  227   2HE   LYS  25          3HE       LYS  25  -6.362   2.661  -7.796
  228   1HZ   LYS  25          1HZ       LYS  25  -4.087   3.609  -7.737
  229   2HZ   LYS  25          2HZ       LYS  25  -5.182   4.520  -8.663
  230   3HZ   LYS  25          3HZ       LYS  25  -4.041   3.524  -9.430
  231    HA   PRO  26           HA       PRO  26  -0.017  -0.810  -6.066
  232   1HB   PRO  26          2HB       PRO  26  -0.726  -3.603  -6.095
  233   2HB   PRO  26          3HB       PRO  26   0.404  -2.768  -5.024
  234   1HG   PRO  26          2HG       PRO  26  -2.107  -3.827  -4.354
  235   2HG   PRO  26          3HG       PRO  26  -1.060  -2.826  -3.343
  236   1HD   PRO  26          2HD       PRO  26  -3.552  -2.098  -4.690
  237   2HD   PRO  26          3HD       PRO  26  -2.649  -1.209  -3.445
  238    H    LEU  27           H        LEU  27  -1.047   0.279  -7.941
  239    HA   LEU  27           HA       LEU  27  -1.912   0.412 -10.048
  240   1HB   LEU  27          2HB       LEU  27   0.570  -0.724  -9.939
  241   2HB   LEU  27          3HB       LEU  27  -0.315  -1.854 -10.947
  242    HG   LEU  27           HG       LEU  27  -1.184   0.269 -12.184
  243   1HD1  LEU  27          1HD1      LEU  27   0.174   2.230 -12.022
  244   2HD1  LEU  27          2HD1      LEU  27  -0.184   1.764 -10.361
  245   3HD1  LEU  27          3HD1      LEU  27   1.392   1.395 -11.060
  246   1HD2  LEU  27          1HD2      LEU  27   1.645  -0.794 -12.357
  247   2HD2  LEU  27          2HD2      LEU  27   0.256  -1.240 -13.348
  248   3HD2  LEU  27          3HD2      LEU  27   0.994   0.352 -13.529
  249    H    ASP  28           H        ASP  28  -1.356  -3.096 -10.197
  250    HA   ASP  28           HA       ASP  28  -4.159  -3.381 -11.039
  251   1HB   ASP  28          2HB       ASP  28  -3.328  -5.750 -11.678
  252   2HB   ASP  28          3HB       ASP  28  -2.831  -4.378 -12.673
  253    H    VAL  29           H        VAL  29  -2.176  -5.944  -9.638
  254    HA   VAL  29           HA       VAL  29  -2.771  -7.515  -8.057
  255    HB   VAL  29           HB       VAL  29  -3.072  -4.864  -6.639
  256   1HG1  VAL  29          1HG1      VAL  29  -2.880  -6.649  -4.594
  257   2HG1  VAL  29          2HG1      VAL  29  -4.412  -5.974  -5.146
  258   3HG1  VAL  29          3HG1      VAL  29  -3.897  -7.565  -5.706
  259   1HG2  VAL  29          1HG2      VAL  29  -0.808  -5.551  -7.208
  260   2HG2  VAL  29          2HG2      VAL  29  -1.032  -5.764  -5.472
  261   3HG2  VAL  29          3HG2      VAL  29  -1.092  -7.162  -6.548
  262    H    ASN  30           H        ASN  30  -4.546  -7.744  -9.730
  263    HA   ASN  30           HA       ASN  30  -7.212  -7.072  -8.759
  264   1HB   ASN  30          2HB       ASN  30  -7.829  -8.184 -10.995
  265   2HB   ASN  30          3HB       ASN  30  -6.957  -6.663 -11.063
  266   1HD2  ASN  30          2HD2      ASN  30  -4.793  -6.686 -11.898
  267   2HD2  ASN  30          1HD2      ASN  30  -4.089  -8.079 -12.567
  268    H    SER  31           H        SER  31  -5.994  -8.813  -7.029
  269    HA   SER  31           HA       SER  31  -7.758 -11.111  -7.186
  270   1HB   SER  31          2HB       SER  31  -4.754 -11.461  -7.217
  271   2HB   SER  31          3HB       SER  31  -5.906 -12.751  -6.888
  272    HG   SER  31           HG       SER  31  -6.679 -11.489  -9.089
  273    H    ARG  32           H        ARG  32  -8.611 -11.251  -5.236
  274    HA   ARG  32           HA       ARG  32  -7.771  -9.914  -2.949
  275   1HB   ARG  32          2HB       ARG  32  -9.986 -10.770  -2.976
  276   2HB   ARG  32          3HB       ARG  32  -9.438 -12.407  -3.319
  277   1HG   ARG  32          2HG       ARG  32  -8.548 -12.680  -1.119
  278   2HG   ARG  32          3HG       ARG  32  -8.690 -10.956  -0.774
  279   1HD   ARG  32          2HD       ARG  32 -10.877 -11.133  -0.208
  280   2HD   ARG  32          3HD       ARG  32 -11.233 -12.199  -1.563
  281    HE   ARG  32           HE       ARG  32 -10.422 -14.058  -0.194
  282   1HH1  ARG  32          1HH1      ARG  32  -9.627 -11.393   1.641
  283   2HH1  ARG  32          2HH1      ARG  32 -10.392 -11.919   3.101
  284   1HH2  ARG  32          1HH2      ARG  32 -12.013 -14.595   1.600
  285   2HH2  ARG  32          2HH2      ARG  32 -11.741 -13.739   3.080
  286    H    GLU  33           H        GLU  33  -6.773 -12.985  -4.291
  287    HA   GLU  33           HA       GLU  33  -5.436 -14.023  -2.022
  288   1HB   GLU  33          2HB       GLU  33  -4.818 -14.426  -4.962
  289   2HB   GLU  33          3HB       GLU  33  -4.254 -15.439  -3.637
  290   1HG   GLU  33          2HG       GLU  33  -6.497 -16.128  -3.097
  291   2HG   GLU  33          3HG       GLU  33  -7.183 -14.942  -4.205
  292    H    GLU  34           H        GLU  34  -4.025 -12.480  -4.925
  293    HA   GLU  34           HA       GLU  34  -1.451 -12.099  -3.905
  294   1HB   GLU  34          2HB       GLU  34  -3.055 -10.534  -5.942
  295   2HB   GLU  34          3HB       GLU  34  -1.359 -10.199  -5.605
  296   1HG   GLU  34          2HG       GLU  34  -2.344 -12.963  -6.343
  297   2HG   GLU  34          3HG       GLU  34  -1.839 -11.792  -7.557
  298    H    ALA  35           H        ALA  35  -4.268  -9.928  -3.839
  299    HA   ALA  35           HA       ALA  35  -3.074  -7.742  -2.539
  300   1HB   ALA  35          1HB       ALA  35  -5.264  -6.953  -2.183
  301   2HB   ALA  35          2HB       ALA  35  -5.433  -7.970  -3.612
  302   3HB   ALA  35          3HB       ALA  35  -5.929  -8.577  -2.033
  303    H    SER  36           H        SER  36  -5.313 -10.054  -0.985
  304    HA   SER  36           HA       SER  36  -4.710  -9.453   1.649
  305   1HB   SER  36          2HB       SER  36  -5.459 -12.142   0.477
  306   2HB   SER  36          3HB       SER  36  -5.537 -11.725   2.186
  307    HG   SER  36           HG       SER  36  -7.483 -11.104   1.627
  308    H    LYS  37           H        LYS  37  -3.034 -11.600  -0.585
  309    HA   LYS  37           HA       LYS  37  -1.255 -12.744   1.336
  310   1HB   LYS  37          2HB       LYS  37  -1.725 -13.887  -0.766
  311   2HB   LYS  37          3HB       LYS  37  -1.059 -12.535  -1.681
  312   1HG   LYS  37          2HG       LYS  37   1.129 -13.044  -1.115
  313   2HG   LYS  37          3HG       LYS  37   0.663 -13.822   0.394
  314   1HD   LYS  37          2HD       LYS  37  -0.314 -15.709  -0.908
  315   2HD   LYS  37          3HD       LYS  37   0.266 -14.947  -2.391
  316   1HE   LYS  37          2HE       LYS  37   2.588 -15.037  -1.500
  317   2HE   LYS  37          3HE       LYS  37   1.985 -15.880  -0.072
  318   1HZ   LYS  37          1HZ       LYS  37   2.860 -17.136  -2.226
  319   2HZ   LYS  37          2HZ       LYS  37   1.224 -16.980  -2.656
  320   3HZ   LYS  37          3HZ       LYS  37   1.654 -17.777  -1.219
  321    H    LEU  38           H        LEU  38  -1.372  -9.683  -0.169
  322    HA   LEU  38           HA       LEU  38   1.498  -9.227  -0.034
  323   1HB   LEU  38          2HB       LEU  38   0.993  -7.789  -1.668
  324   2HB   LEU  38          3HB       LEU  38  -0.722  -8.084  -1.430
  325    HG   LEU  38           HG       LEU  38   0.787  -6.150   0.331
  326   1HD1  LEU  38          1HD1      LEU  38   1.169  -5.407  -1.955
  327   2HD1  LEU  38          2HD1      LEU  38  -0.544  -5.604  -2.331
  328   3HD1  LEU  38          3HD1      LEU  38  -0.027  -4.358  -1.193
  329   1HD2  LEU  38          1HD2      LEU  38  -1.502  -5.158   0.521
  330   2HD2  LEU  38          2HD2      LEU  38  -2.118  -6.472  -0.477
  331   3HD2  LEU  38          3HD2      LEU  38  -1.435  -6.818   1.111
  332    H    ILE  39           H        ILE  39  -1.099  -9.108   2.109
  333    HA   ILE  39           HA       ILE  39  -0.604  -6.877   3.716
  334    HB   ILE  39           HB       ILE  39  -1.653  -9.635   4.350
  335   1HG1  ILE  39          2HG1      ILE  39  -2.998  -6.915   4.337
  336   2HG1  ILE  39          3HG1      ILE  39  -2.989  -8.008   2.952
  337   1HG2  ILE  39          1HG2      ILE  39  -2.461  -8.274   6.496
  338   2HG2  ILE  39          2HG2      ILE  39  -0.908  -9.107   6.480
  339   3HG2  ILE  39          3HG2      ILE  39  -0.978  -7.371   6.192
  340   1HD1  ILE  39          1HD1      ILE  39  -4.025  -8.786   5.693
  341   2HD1  ILE  39          2HD1      ILE  39  -5.053  -8.184   4.393
  342   3HD1  ILE  39          3HD1      ILE  39  -4.181  -9.702   4.193
  343    H    GLY  40           H        GLY  40   1.156  -6.286   4.830
  344   1HA   GLY  40          1HA       GLY  40   2.746  -6.705   6.580
  345   2HA   GLY  40          2HA       GLY  40   2.844  -8.377   6.047
  346    H    ARG  41           H        ARG  41   2.817  -6.709   3.249
  347    HA   ARG  41           HA       ARG  41   5.608  -7.105   2.780
  348   1HB   ARG  41          2HB       ARG  41   3.643  -7.145   1.078
  349   2HB   ARG  41          3HB       ARG  41   3.853  -5.396   1.030
  350   1HG   ARG  41          2HG       ARG  41   5.213  -6.311  -0.732
  351   2HG   ARG  41          3HG       ARG  41   6.312  -5.807   0.551
  352   1HD   ARG  41          2HD       ARG  41   6.870  -7.967   1.113
  353   2HD   ARG  41          3HD       ARG  41   5.287  -8.604   0.678
  354    HE   ARG  41           HE       ARG  41   6.491  -7.793  -1.701
  355   1HH1  ARG  41          1HH1      ARG  41   5.646 -10.653  -0.716
  356   2HH1  ARG  41          2HH1      ARG  41   7.120 -11.515  -1.006
  357   1HH2  ARG  41          1HH2      ARG  41   9.034  -8.662  -1.404
  358   2HH2  ARG  41          2HH2      ARG  41   9.028 -10.395  -1.395
  359    H    LEU  42           H        LEU  42   7.258  -5.641   2.638
  360    HA   LEU  42           HA       LEU  42   6.940  -3.187   4.140
  361   1HB   LEU  42          2HB       LEU  42   8.938  -4.888   4.092
  362   2HB   LEU  42          3HB       LEU  42   9.445  -3.967   2.679
  363    HG   LEU  42           HG       LEU  42   9.281  -1.874   4.070
  364   1HD1  LEU  42          1HD1      LEU  42   8.005  -2.154   5.940
  365   2HD1  LEU  42          2HD1      LEU  42   8.328  -3.885   6.018
  366   3HD1  LEU  42          3HD1      LEU  42   9.505  -2.739   6.657
  367   1HD2  LEU  42          1HD2      LEU  42  11.428  -3.127   3.708
  368   2HD2  LEU  42          2HD2      LEU  42  11.387  -2.256   5.240
  369   3HD2  LEU  42          3HD2      LEU  42  11.126  -3.999   5.212
  370    H    VAL  43           H        VAL  43   6.096  -1.451   3.151
  371    HA   VAL  43           HA       VAL  43   6.425  -1.065   0.276
  372    HB   VAL  43           HB       VAL  43   4.763   0.654   0.479
  373   1HG1  VAL  43          1HG1      VAL  43   4.115  -1.822   0.716
  374   2HG1  VAL  43          2HG1      VAL  43   3.928  -1.494   2.440
  375   3HG1  VAL  43          3HG1      VAL  43   2.923  -0.643   1.265
  376   1HG2  VAL  43          1HG2      VAL  43   3.854   0.925   2.981
  377   2HG2  VAL  43          2HG2      VAL  43   5.535   0.551   3.367
  378   3HG2  VAL  43          3HG2      VAL  43   5.152   1.944   2.358
  379    H    LEU  44           H        LEU  44   8.284  -0.257  -0.352
  380    HA   LEU  44           HA       LEU  44   9.517   1.949   1.176
  381   1HB   LEU  44          2HB       LEU  44  10.550  -0.216  -0.586
  382   2HB   LEU  44          3HB       LEU  44  11.351   1.349  -0.723
  383    HG   LEU  44           HG       LEU  44  11.600   1.356   1.786
  384   1HD1  LEU  44          1HD1      LEU  44   9.785  -0.264   2.266
  385   2HD1  LEU  44          2HD1      LEU  44  10.725  -1.535   1.485
  386   3HD1  LEU  44          3HD1      LEU  44  11.317  -0.786   2.966
  387   1HD2  LEU  44          1HD2      LEU  44  12.876  -1.115   0.605
  388   2HD2  LEU  44          2HD2      LEU  44  13.330   0.495   0.050
  389   3HD2  LEU  44          3HD2      LEU  44  13.569   0.044   1.739
  390    H    TRP  45           H        TRP  45   8.237   3.603   0.498
  391    HA   TRP  45           HA       TRP  45   7.789   4.107  -2.341
  392   1HB   TRP  45          2HB       TRP  45   5.841   4.562  -1.208
  393   2HB   TRP  45          3HB       TRP  45   6.673   5.059   0.253
  394    HD1  TRP  45           HD1      TRP  45   6.753   6.519  -3.355
  395    HE1  TRP  45           HE1      TRP  45   6.242   9.054  -3.191
  396    HE3  TRP  45           HE3      TRP  45   6.029   6.955   1.681
  397    HZ2  TRP  45           HZ2      TRP  45   5.653  10.993  -1.184
  398    HZ3  TRP  45           HZ3      TRP  45   5.494   9.153   2.690
  399    HH2  TRP  45           HH2      TRP  45   5.309  11.173   1.264
  400    H    LYS  46           H        LYS  46   8.915   5.478  -3.524
  401    HA   LYS  46           HA       LYS  46  11.164   6.901  -2.379
  402   1HB   LYS  46          2HB       LYS  46  11.388   5.764  -4.557
  403   2HB   LYS  46          3HB       LYS  46  10.134   6.807  -5.231
  404   1HG   LYS  46          2HG       LYS  46  11.482   8.768  -4.966
  405   2HG   LYS  46          3HG       LYS  46  12.649   7.913  -3.957
  406   1HD   LYS  46          2HD       LYS  46  12.105   7.241  -6.864
  407   2HD   LYS  46          3HD       LYS  46  13.432   8.267  -6.317
  408   1HE   LYS  46          2HE       LYS  46  14.605   6.321  -6.222
  409   2HE   LYS  46          3HE       LYS  46  13.748   6.080  -4.698
  410   1HZ   LYS  46          1HZ       LYS  46  13.664   4.397  -6.800
  411   2HZ   LYS  46          2HZ       LYS  46  12.246   5.303  -7.030
  412   3HZ   LYS  46          3HZ       LYS  46  12.497   4.470  -5.571
  413    H    SER  47           H        SER  47  10.261   8.512  -1.095
  414    HA   SER  47           HA       SER  47   8.209  10.236  -1.952
  415   1HB   SER  47          2HB       SER  47  10.191  11.312  -0.031
  416   2HB   SER  47          3HB       SER  47   8.435  11.264   0.069
  417    HG   SER  47           HG       SER  47  10.234   9.093   0.418
  418    HA   PRO  48           HA       PRO  48  10.285  13.216  -4.426
  419   1HB   PRO  48          2HB       PRO  48   9.521  15.616  -3.024
  420   2HB   PRO  48          3HB       PRO  48   8.766  14.894  -4.453
  421   1HG   PRO  48          2HG       PRO  48   7.626  15.051  -1.944
  422   2HG   PRO  48          3HG       PRO  48   7.117  13.955  -3.236
  423   1HD   PRO  48          2HD       PRO  48   8.753  13.377  -0.808
  424   2HD   PRO  48          3HD       PRO  48   7.629  12.320  -1.696
  425    H    SER  49           H        SER  49  10.712  14.093  -1.008
  426    HA   SER  49           HA       SER  49  13.075  15.644  -1.399
  427   1HB   SER  49          2HB       SER  49  11.445  15.706   0.580
  428   2HB   SER  49          3HB       SER  49  12.277  14.267   1.166
  429    HG   SER  49           HG       SER  49  13.766  16.508   0.364
  430    H    GLY  50           H        GLY  50  12.961  12.749  -2.412
  431   1HA   GLY  50          1HA       GLY  50  14.492  11.070  -2.753
  432   2HA   GLY  50          2HA       GLY  50  15.689  12.101  -1.982
  433    H    LYS  51           H        LYS  51  13.450  12.066   0.296
  434    HA   LYS  51           HA       LYS  51  14.787  10.132   1.936
  435   1HB   LYS  51          2HB       LYS  51  13.765  12.239   2.813
  436   2HB   LYS  51          3HB       LYS  51  12.174  11.586   2.432
  437   1HG   LYS  51          2HG       LYS  51  12.409   9.819   4.021
  438   2HG   LYS  51          3HG       LYS  51  14.140  10.117   4.203
  439   1HD   LYS  51          2HD       LYS  51  12.947  11.040   6.127
  440   2HD   LYS  51          3HD       LYS  51  13.627  12.354   5.170
  441   1HE   LYS  51          2HE       LYS  51  10.878  11.497   4.431
  442   2HE   LYS  51          3HE       LYS  51  11.043  12.309   5.987
  443   1HZ   LYS  51          1HZ       LYS  51  11.069  14.200   4.858
  444   2HZ   LYS  51          2HZ       LYS  51  11.190  13.400   3.365
  445   3HZ   LYS  51          3HZ       LYS  51  12.592  13.765   4.253
  446    H    ILE  52           H        ILE  52  14.414   8.008   1.884
  447    HA   ILE  52           HA       ILE  52  12.039   6.976   0.570
  448    HB   ILE  52           HB       ILE  52  14.397   5.578   1.857
  449   1HG1  ILE  52          2HG1      ILE  52  15.056   6.833  -0.104
  450   2HG1  ILE  52          3HG1      ILE  52  14.941   5.138  -0.579
  451   1HG2  ILE  52          1HG2      ILE  52  13.471   3.649   0.392
  452   2HG2  ILE  52          2HG2      ILE  52  12.637   3.993   1.907
  453   3HG2  ILE  52          3HG2      ILE  52  11.963   4.565   0.380
  454   1HD1  ILE  52          1HD1      ILE  52  13.065   7.410  -1.213
  455   2HD1  ILE  52          2HD1      ILE  52  13.761   6.212  -2.304
  456   3HD1  ILE  52          3HD1      ILE  52  12.465   5.752  -1.201
  457    H    LEU  53           H        LEU  53  10.194   6.854   1.651
  458    HA   LEU  53           HA       LEU  53  10.285   6.439   4.563
  459   1HB   LEU  53          2HB       LEU  53   8.030   7.336   2.763
  460   2HB   LEU  53          3HB       LEU  53   7.913   7.145   4.515
  461    HG   LEU  53           HG       LEU  53  10.103   8.840   3.335
  462   1HD1  LEU  53          1HD1      LEU  53   7.954   9.594   2.347
  463   2HD1  LEU  53          2HD1      LEU  53   7.299   9.782   3.973
  464   3HD1  LEU  53          3HD1      LEU  53   8.649  10.788   3.441
  465   1HD2  LEU  53          1HD2      LEU  53   8.708   9.689   5.776
  466   2HD2  LEU  53          2HD2      LEU  53   9.405   8.073   5.917
  467   3HD2  LEU  53          3HD2      LEU  53  10.434   9.443   5.497
  468    H    LYS  54           H        LYS  54   9.830   4.602   5.429
  469    HA   LYS  54           HA       LYS  54   8.842   2.389   3.812
  470   1HB   LYS  54          2HB       LYS  54   9.926   2.557   6.628
  471   2HB   LYS  54          3HB       LYS  54   9.377   1.067   5.872
  472   1HG   LYS  54          2HG       LYS  54  11.171   0.962   4.435
  473   2HG   LYS  54          3HG       LYS  54  11.321   2.716   4.330
  474   1HD   LYS  54          2HD       LYS  54  13.228   1.951   5.560
  475   2HD   LYS  54          3HD       LYS  54  12.134   2.675   6.739
  476   1HE   LYS  54          2HE       LYS  54  11.202   0.163   6.831
  477   2HE   LYS  54          3HE       LYS  54  12.856  -0.190   6.330
  478   1HZ   LYS  54          1HZ       LYS  54  12.530  -0.108   8.770
  479   2HZ   LYS  54          2HZ       LYS  54  12.156   1.543   8.634
  480   3HZ   LYS  54          3HZ       LYS  54  13.701   0.981   8.204
  481    H    GLY  55           H        GLY  55   7.225   0.899   4.846
  482   1HA   GLY  55          1HA       GLY  55   5.369   2.018   6.758
  483   2HA   GLY  55          2HA       GLY  55   4.739   1.973   5.113
  484    H    LYS  56           H        LYS  56   3.279   0.530   6.709
  485    HA   LYS  56           HA       LYS  56   3.875  -2.212   5.925
  486   1HB   LYS  56          2HB       LYS  56   4.830  -1.573   8.318
  487   2HB   LYS  56          3HB       LYS  56   3.155  -1.839   8.801
  488   1HG   LYS  56          2HG       LYS  56   3.252  -4.069   7.631
  489   2HG   LYS  56          3HG       LYS  56   4.978  -3.800   7.381
  490   1HD   LYS  56          2HD       LYS  56   5.264  -3.556   9.846
  491   2HD   LYS  56          3HD       LYS  56   3.553  -3.934  10.055
  492   1HE   LYS  56          2HE       LYS  56   4.228  -6.041   8.548
  493   2HE   LYS  56          3HE       LYS  56   5.810  -5.722   9.259
  494   1HZ   LYS  56          1HZ       LYS  56   3.485  -6.847  10.464
  495   2HZ   LYS  56          2HZ       LYS  56   4.039  -5.500  11.339
  496   3HZ   LYS  56          3HZ       LYS  56   5.081  -6.808  11.038
  497    H    ILE  57           H        ILE  57   2.073  -3.074   5.157
  498    HA   ILE  57           HA       ILE  57  -0.457  -1.804   5.346
  499    HB   ILE  57           HB       ILE  57   0.344  -4.575   4.440
  500   1HG1  ILE  57          2HG1      ILE  57  -0.675  -2.398   2.654
  501   2HG1  ILE  57          3HG1      ILE  57   0.982  -2.274   3.247
  502   1HG2  ILE  57          1HG2      ILE  57  -1.992  -4.639   5.120
  503   2HG2  ILE  57          2HG2      ILE  57  -2.322  -3.141   4.253
  504   3HG2  ILE  57          3HG2      ILE  57  -1.918  -4.605   3.359
  505   1HD1  ILE  57          1HD1      ILE  57   0.371  -3.628   1.012
  506   2HD1  ILE  57          2HD1      ILE  57   1.687  -4.124   2.074
  507   3HD1  ILE  57          3HD1      ILE  57   0.119  -4.922   2.182
  508    H    VAL  58           H        VAL  58  -2.273  -2.337   6.522
  509    HA   VAL  58           HA       VAL  58  -1.806  -4.084   8.860
  510    HB   VAL  58           HB       VAL  58  -3.844  -2.749   9.758
  511   1HG1  VAL  58          1HG1      VAL  58  -1.654  -2.510  10.730
  512   2HG1  VAL  58          2HG1      VAL  58  -1.085  -1.566   9.352
  513   3HG1  VAL  58          3HG1      VAL  58  -2.283  -0.885  10.454
  514   1HG2  VAL  58          1HG2      VAL  58  -4.109  -1.721   7.350
  515   2HG2  VAL  58          2HG2      VAL  58  -4.351  -0.689   8.757
  516   3HG2  VAL  58          3HG2      VAL  58  -2.829  -0.630   7.873
  517    H    ARG  59           H        ARG  59  -4.010  -3.311   6.231
  518    HA   ARG  59           HA       ARG  59  -5.145  -5.957   6.290
  519   1HB   ARG  59          2HB       ARG  59  -7.538  -4.722   6.413
  520   2HB   ARG  59          3HB       ARG  59  -6.737  -5.392   7.831
  521   1HG   ARG  59          2HG       ARG  59  -5.947  -3.269   8.532
  522   2HG   ARG  59          3HG       ARG  59  -6.238  -2.547   6.951
  523   1HD   ARG  59          2HD       ARG  59  -7.927  -1.989   8.804
  524   2HD   ARG  59          3HD       ARG  59  -8.587  -2.530   7.263
  525    HE   ARG  59           HE       ARG  59  -9.058  -4.664   8.279
  526   1HH1  ARG  59          1HH1      ARG  59  -6.894  -4.469  10.438
  527   2HH1  ARG  59          2HH1      ARG  59  -7.856  -4.267  11.864
  528   1HH2  ARG  59          1HH2      ARG  59 -10.735  -3.424  10.120
  529   2HH2  ARG  59          2HH2      ARG  59 -10.031  -3.676  11.683
  530    H    VAL  60           H        VAL  60  -6.596  -6.340   4.491
  531    HA   VAL  60           HA       VAL  60  -5.922  -4.670   2.192
  532    HB   VAL  60           HB       VAL  60  -5.696  -7.086   1.939
  533   1HG1  VAL  60          1HG1      VAL  60  -7.340  -7.853   3.561
  534   2HG1  VAL  60          2HG1      VAL  60  -8.653  -7.150   2.618
  535   3HG1  VAL  60          3HG1      VAL  60  -7.745  -8.519   1.980
  536   1HG2  VAL  60          1HG2      VAL  60  -8.164  -6.383   0.363
  537   2HG2  VAL  60          2HG2      VAL  60  -6.657  -5.517   0.076
  538   3HG2  VAL  60          3HG2      VAL  60  -6.730  -7.264  -0.157
  539    H    HIS  61           H        HIS  61  -7.518  -3.846   0.736
  540    HA   HIS  61           HA       HIS  61 -10.264  -3.648   1.769
  541   1HB   HIS  61          2HB       HIS  61  -8.668  -1.626   2.390
  542   2HB   HIS  61          3HB       HIS  61  -8.968  -1.158   0.717
  543    HD1  HIS  61           HD1      HIS  61 -10.980   0.272   0.431
  544    HD2  HIS  61           HD2      HIS  61 -11.356  -2.242   3.733
  545    HE1  HIS  61           HE1      HIS  61 -13.220   0.805   1.484
  546    H    GLY  62           H        GLY  62 -11.665  -4.058   0.203
  547   1HA   GLY  62          1HA       GLY  62 -12.648  -3.782  -1.931
  548   2HA   GLY  62          2HA       GLY  62 -11.092  -3.239  -2.555
  549    H    THR  63           H        THR  63 -10.875  -5.955  -0.547
  550    HA   THR  63           HA       THR  63 -10.209  -8.107  -0.913
  551    HB   THR  63           HB       THR  63 -11.636  -9.429  -2.422
  552    HG1  THR  63           HG1      THR  63 -13.217  -7.282  -3.075
  553   1HG2  THR  63          1HG2      THR  63 -13.061  -7.334  -0.761
  554   2HG2  THR  63          2HG2      THR  63 -13.815  -8.809  -1.366
  555   3HG2  THR  63          3HG2      THR  63 -12.487  -8.909  -0.210
  556    H    LYS  64           H        LYS  64 -10.966  -8.095  -4.281
  557    HA   LYS  64           HA       LYS  64  -8.157  -8.524  -4.936
  558   1HB   LYS  64          2HB       LYS  64  -9.146  -9.003  -7.230
  559   2HB   LYS  64          3HB       LYS  64  -9.690 -10.065  -5.933
  560   1HG   LYS  64          2HG       LYS  64 -11.764  -8.858  -5.704
  561   2HG   LYS  64          3HG       LYS  64 -11.211  -7.588  -6.791
  562   1HD   LYS  64          2HD       LYS  64 -11.401  -8.954  -8.690
  563   2HD   LYS  64          3HD       LYS  64 -11.351 -10.442  -7.742
  564   1HE   LYS  64          2HE       LYS  64 -13.580 -10.286  -7.119
  565   2HE   LYS  64          3HE       LYS  64 -13.606  -8.527  -7.258
  566   1HZ   LYS  64          1HZ       LYS  64 -13.044  -9.776  -9.756
  567   2HZ   LYS  64          2HZ       LYS  64 -14.263  -8.664  -9.357
  568   3HZ   LYS  64          3HZ       LYS  64 -14.513 -10.326  -9.114
  569    H    GLY  65           H        GLY  65  -8.199  -5.973  -4.168
  570   1HA   GLY  65          1HA       GLY  65  -7.745  -4.521  -6.634
  571   2HA   GLY  65          2HA       GLY  65  -9.022  -3.895  -5.599
  572    H    ALA  66           H        ALA  66  -8.374  -2.268  -4.536
  573    HA   ALA  66           HA       ALA  66  -5.684  -1.558  -4.004
  574   1HB   ALA  66          1HB       ALA  66  -7.169   0.235  -4.233
  575   2HB   ALA  66          2HB       ALA  66  -8.361  -0.494  -3.160
  576   3HB   ALA  66          3HB       ALA  66  -6.873   0.179  -2.497
  577    H    VAL  67           H        VAL  67  -5.312  -0.686  -1.595
  578    HA   VAL  67           HA       VAL  67  -6.092  -2.612   0.447
  579    HB   VAL  67           HB       VAL  67  -3.906  -3.392   0.965
  580   1HG1  VAL  67          1HG1      VAL  67  -4.073  -3.357  -2.063
  581   2HG1  VAL  67          2HG1      VAL  67  -3.182  -4.513  -1.074
  582   3HG1  VAL  67          3HG1      VAL  67  -4.942  -4.484  -1.024
  583   1HG2  VAL  67          1HG2      VAL  67  -1.915  -2.552  -0.389
  584   2HG2  VAL  67          2HG2      VAL  67  -2.970  -1.268  -0.980
  585   3HG2  VAL  67          3HG2      VAL  67  -2.609  -1.388   0.741
  586    H    ARG  68           H        ARG  68  -5.459  -1.934   2.586
  587    HA   ARG  68           HA       ARG  68  -5.342   0.973   2.810
  588   1HB   ARG  68          2HB       ARG  68  -6.907  -0.596   4.126
  589   2HB   ARG  68          3HB       ARG  68  -5.488  -0.986   5.094
  590   1HG   ARG  68          2HG       ARG  68  -6.135   0.815   6.332
  591   2HG   ARG  68          3HG       ARG  68  -5.345   1.742   5.058
  592   1HD   ARG  68          2HD       ARG  68  -7.541   2.675   5.355
  593   2HD   ARG  68          3HD       ARG  68  -7.552   1.782   3.837
  594    HE   ARG  68           HE       ARG  68  -8.433   0.237   6.128
  595   1HH1  ARG  68          1HH2      ARG  68  -9.172   1.143   2.996
  596   2HH1  ARG  68          2HH2      ARG  68 -10.889   1.216   3.214
  597   1HH2  ARG  68          1HH1      ARG  68 -10.738   0.877   6.656
  598   2HH2  ARG  68          2HH1      ARG  68 -11.772   1.065   5.280
  599    H    ALA  69           H        ALA  69  -3.832   2.064   4.181
  600    HA   ALA  69           HA       ALA  69  -1.456   0.609   5.052
  601   1HB   ALA  69          1HB       ALA  69  -0.094   2.518   3.837
  602   2HB   ALA  69          2HB       ALA  69  -0.571   1.062   2.959
  603   3HB   ALA  69          3HB       ALA  69  -1.501   2.551   2.770
  604    H    ARG  70           H        ARG  70  -0.130   1.852   6.515
  605    HA   ARG  70           HA       ARG  70  -1.151   4.466   7.356
  606   1HB   ARG  70          2HB       ARG  70  -0.892   2.199   9.346
  607   2HB   ARG  70          3HB       ARG  70  -1.514   3.826   9.643
  608   1HG   ARG  70          2HG       ARG  70  -3.337   3.358   7.973
  609   2HG   ARG  70          3HG       ARG  70  -2.764   1.692   7.889
  610   1HD   ARG  70          2HD       ARG  70  -3.198   1.387  10.270
  611   2HD   ARG  70          3HD       ARG  70  -3.671   3.076  10.428
  612    HE   ARG  70           HE       ARG  70  -5.286   1.929   8.444
  613   1HH1  ARG  70          1HH1      ARG  70  -4.940  -0.217  10.731
  614   2HH1  ARG  70          2HH1      ARG  70  -6.410   0.054  11.607
  615   1HH2  ARG  70          1HH2      ARG  70  -7.076   3.090  10.059
  616   2HH2  ARG  70          2HH2      ARG  70  -7.620   1.933  11.227
  617    H    PHE  71           H        PHE  71   0.471   5.775   7.868
  618    HA   PHE  71           HA       PHE  71   3.149   4.625   8.345
  619   1HB   PHE  71          2HB       PHE  71   2.188   7.275   7.277
  620   2HB   PHE  71          3HB       PHE  71   3.839   7.062   7.858
  621    HD1  PHE  71           HD1      PHE  71   5.461   6.308   6.366
  622    HD2  PHE  71           HD2      PHE  71   1.334   5.387   5.608
  623    HE1  PHE  71           HE1      PHE  71   6.090   5.266   4.207
  624    HE2  PHE  71           HE2      PHE  71   1.965   4.340   3.452
  625    HZ   PHE  71           HZ       PHE  71   4.344   4.281   2.751
  626    H    GLU  72           H        GLU  72   3.745   4.549  10.411
  627    HA   GLU  72           HA       GLU  72   2.369   6.094  12.424
  628   1HB   GLU  72          2HB       GLU  72   4.773   4.293  12.766
  629   2HB   GLU  72          3HB       GLU  72   3.649   4.823  14.018
  630   1HG   GLU  72          2HG       GLU  72   2.321   3.067  13.568
  631   2HG   GLU  72          3HG       GLU  72   2.100   3.659  11.924
  632    H    LYS  73           H        LYS  73   5.065   6.696  10.438
  633    HA   LYS  73           HA       LYS  73   5.671   9.097  11.938
  634   1HB   LYS  73          2HB       LYS  73   7.032   7.110  12.938
  635   2HB   LYS  73          3HB       LYS  73   8.021   7.289  11.491
  636   1HG   LYS  73          2HG       LYS  73   8.208   9.755  12.042
  637   2HG   LYS  73          3HG       LYS  73   7.447   9.396  13.591
  638   1HD   LYS  73          2HD       LYS  73   9.722   9.263  14.120
  639   2HD   LYS  73          3HD       LYS  73   9.319   7.576  13.796
  640   1HE   LYS  73          2HE       LYS  73  10.170   7.778  11.511
  641   2HE   LYS  73          3HE       LYS  73  10.498   9.493  11.761
  642   1HZ   LYS  73          1HZ       LYS  73  11.772   8.382  13.838
  643   2HZ   LYS  73          2HZ       LYS  73  12.512   8.764  12.355
  644   3HZ   LYS  73          3HZ       LYS  73  11.979   7.180  12.659
  645    H    GLY  74           H        GLY  74   6.792   6.918   9.373
  646   1HA   GLY  74          1HA       GLY  74   8.212   8.841   7.860
  647   2HA   GLY  74          2HA       GLY  74   7.609   7.305   7.254
  648    H    LEU  75           H        LEU  75   6.018  10.250   8.461
  649    HA   LEU  75           HA       LEU  75   4.708  10.618   5.853
  650   1HB   LEU  75          2HB       LEU  75   3.387   9.428   7.933
  651   2HB   LEU  75          3HB       LEU  75   2.999  11.122   8.211
  652    HG   LEU  75           HG       LEU  75   1.313  10.091   6.762
  653   1HD1  LEU  75          1HD1      LEU  75   2.267  12.499   6.396
  654   2HD1  LEU  75          2HD1      LEU  75   2.962  11.813   4.928
  655   3HD1  LEU  75          3HD1      LEU  75   1.217  11.798   5.167
  656   1HD2  LEU  75          1HD2      LEU  75   3.061   9.763   4.429
  657   2HD2  LEU  75          2HD2      LEU  75   3.449   8.651   5.739
  658   3HD2  LEU  75          3HD2      LEU  75   1.822   8.684   5.065
  659    HA   PRO  76           HA       PRO  76   6.566  14.528   7.378
  660   1HB   PRO  76          2HB       PRO  76   6.376  15.544   4.689
  661   2HB   PRO  76          3HB       PRO  76   7.824  15.113   5.605
  662   1HG   PRO  76          2HG       PRO  76   6.656  13.723   3.434
  663   2HG   PRO  76          3HG       PRO  76   8.073  13.272   4.385
  664   1HD   PRO  76          2HD       PRO  76   5.454  12.062   4.408
  665   2HD   PRO  76          3HD       PRO  76   6.897  11.569   5.310
  666    H    GLY  77           H        GLY  77   4.540  15.263   4.559
  667   1HA   GLY  77          1HA       GLY  77   2.201  15.953   6.018
  668   2HA   GLY  77          2HA       GLY  77   3.182  17.387   5.739
  669    H    GLN  78           H        GLN  78   3.635  15.114   3.288
  670    HA   GLN  78           HA       GLN  78   1.365  15.884   1.662
  671   1HB   GLN  78          2HB       GLN  78   3.366  17.694   1.633
  672   2HB   GLN  78          3HB       GLN  78   3.948  16.599   0.380
  673   1HG   GLN  78          2HG       GLN  78   1.241  17.967   0.477
  674   2HG   GLN  78          3HG       GLN  78   2.554  18.311  -0.648
  675   1HE2  GLN  78          2HE2      GLN  78   3.316  15.609  -1.288
  676   2HE2  GLN  78          1HE2      GLN  78   2.030  14.888  -2.129
  677    H    ALA  79           H        ALA  79   0.864  13.889   0.995
  678    HA   ALA  79           HA       ALA  79   2.893  12.386  -0.511
  679   1HB   ALA  79          1HB       ALA  79   1.101  11.170   1.605
  680   2HB   ALA  79          2HB       ALA  79   2.210  10.285   0.559
  681   3HB   ALA  79          3HB       ALA  79   2.839  11.416   1.754
  682    H    LEU  80           H        LEU  80   0.023  13.875  -0.583
  683    HA   LEU  80           HA       LEU  80  -1.618  11.907  -1.892
  684   1HB   LEU  80          2HB       LEU  80  -2.497  13.861  -0.579
  685   2HB   LEU  80          3HB       LEU  80  -1.946  14.913  -1.883
  686    HG   LEU  80           HG       LEU  80  -3.321  13.209  -3.390
  687   1HD1  LEU  80          1HD1      LEU  80  -3.793  11.904  -1.146
  688   2HD1  LEU  80          2HD1      LEU  80  -5.039  13.131  -0.924
  689   3HD1  LEU  80          3HD1      LEU  80  -5.075  12.082  -2.343
  690   1HD2  LEU  80          1HD2      LEU  80  -5.360  14.688  -2.970
  691   2HD2  LEU  80          2HD2      LEU  80  -4.437  15.441  -1.671
  692   3HD2  LEU  80          3HD2      LEU  80  -3.863  15.545  -3.336
  693    H    GLY  81           H        GLY  81  -0.693  11.119  -3.743
  694   1HA   GLY  81          1HA       GLY  81  -0.974  11.613  -6.173
  695   2HA   GLY  81          2HA       GLY  81  -0.077  13.091  -5.867
  696    H    ASP  82           H        ASP  82   1.766  11.600  -3.969
  697    HA   ASP  82           HA       ASP  82   3.721  10.905  -5.924
  698   1HB   ASP  82          2HB       ASP  82   3.810  10.281  -2.966
  699   2HB   ASP  82          3HB       ASP  82   5.171  10.461  -4.069
  700    H    TYR  83           H        TYR  83   4.135   8.987  -6.831
  701    HA   TYR  83           HA       TYR  83   2.395   6.766  -6.423
  702   1HB   TYR  83          2HB       TYR  83   4.872   7.289  -8.031
  703   2HB   TYR  83          3HB       TYR  83   4.355   5.623  -7.799
  704    HD1  TYR  83           HD1      TYR  83   3.678   5.144 -10.062
  705    HD2  TYR  83           HD2      TYR  83   2.066   8.549  -7.990
  706    HE1  TYR  83           HE1      TYR  83   1.984   5.431 -11.848
  707    HE2  TYR  83           HE2      TYR  83   0.373   8.831  -9.775
  708    HH   TYR  83           HH       TYR  83  -0.495   6.583 -11.860
  709    H    VAL  84           H        VAL  84   2.616   5.024  -5.115
  710    HA   VAL  84           HA       VAL  84   4.869   5.035  -3.246
  711    HB   VAL  84           HB       VAL  84   3.571   3.251  -2.078
  712   1HG1  VAL  84          1HG1      VAL  84   3.077   5.338  -1.181
  713   2HG1  VAL  84          2HG1      VAL  84   2.422   5.955  -2.694
  714   3HG1  VAL  84          3HG1      VAL  84   1.477   4.833  -1.716
  715   1HG2  VAL  84          1HG2      VAL  84   1.297   3.853  -3.963
  716   2HG2  VAL  84          2HG2      VAL  84   2.452   2.579  -4.344
  717   3HG2  VAL  84          3HG2      VAL  84   1.494   2.487  -2.869
  718    H    GLU  85           H        GLU  85   6.005   2.986  -2.814
  719    HA   GLU  85           HA       GLU  85   5.951   1.067  -5.021
  720   1HB   GLU  85          2HB       GLU  85   8.493   2.517  -4.226
  721   2HB   GLU  85          3HB       GLU  85   8.332   1.279  -5.469
  722   1HG   GLU  85          2HG       GLU  85   6.713   2.788  -6.670
  723   2HG   GLU  85          3HG       GLU  85   7.087   4.045  -5.490
  724    H    ILE  86           H        ILE  86   6.936  -0.907  -4.538
  725    HA   ILE  86           HA       ILE  86   7.481  -1.292  -1.652
  726    HB   ILE  86           HB       ILE  86   6.607  -3.359  -3.697
  727   1HG1  ILE  86          2HG1      ILE  86   4.912  -2.283  -1.445
  728   2HG1  ILE  86          3HG1      ILE  86   4.945  -1.467  -3.006
  729   1HG2  ILE  86          1HG2      ILE  86   6.489  -4.887  -1.914
  730   2HG2  ILE  86          2HG2      ILE  86   7.965  -3.993  -1.554
  731   3HG2  ILE  86          3HG2      ILE  86   6.470  -3.612  -0.698
  732   1HD1  ILE  86          1HD1      ILE  86   3.158  -3.349  -2.545
  733   2HD1  ILE  86          2HD1      ILE  86   3.952  -3.258  -4.117
  734   3HD1  ILE  86          3HD1      ILE  86   4.495  -4.436  -2.921
  735    H    VAL  87           H        VAL  87   9.642  -0.372  -2.328
  736    HA   VAL  87           HA       VAL  87  11.240  -2.194  -3.960
  737    HB   VAL  87           HB       VAL  87  12.306   0.188  -2.472
  738   1HG1  VAL  87          1HG1      VAL  87  13.772   0.253  -4.505
  739   2HG1  VAL  87          2HG1      VAL  87  13.944  -1.237  -3.580
  740   3HG1  VAL  87          3HG1      VAL  87  12.995  -1.223  -5.066
  741   1HG2  VAL  87          1HG2      VAL  87  10.894   0.166  -5.160
  742   2HG2  VAL  87          2HG2      VAL  87  10.248   0.878  -3.685
  743   3HG2  VAL  87          3HG2      VAL  87  11.695   1.556  -4.430