*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   28-JUN-07   2JRR              
*TITLE     SOLUTION NMR STRUCTURE OF Q5LLS5 FROM SILICIBACTER                    
*TITLE    2 POMEROYI. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET            
*TITLE    3 SIR90                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI;                          
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: DSS-3, DSM 15171;                                            
*SOURCE   5 ATCC: 700808;                                                        
*SOURCE   6 GENE: SP03846;                                                       
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MAGIC;                            
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: SIR90-21.0;                                
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PET21;                                    
*SOURCE  12 OTHER_DETAILS: THE PROTEIN IS A MONOMER BY GEL FILTRATION            
*SOURCE  13 CHROMATOGRAPHY AND STATIC LIGHT SCATTERING.                          
*KEYWDS    SOLUTION NMR STRUCTURE, PROTEIN, SIR90, STRUCTURAL GENOMICS,          
*KEYWDS   2 PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL            
*KEYWDS   3 GENOMICS CONSORTIUM, NESG                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.V.T.SWAPNA, R.TEJERO, M.JIANG, K.CUNNINGHAM, M.MAGLAQUI,            
*AUTHOR   2 L.OWENS, J.LIU, H.WANG, T.B.ACTON, R.XIAO, M.C.BARAN,                
*AUTHOR   3 B.ROST, G.T.MONTELIONE, NORTHEAST STRUCTURAL GENOMICS                
*AUTHOR   4 CONSORTIUM (NESG)                                                    
*REVDAT   1   17-JUL-07 2JRR    0                                                



SiR90_dihe.tbl0000644001357700307730000002024610637763551012023 0ustar  gvtsnmr!Manual Input
!
! ACO file produced by PDBStat
! Version:  4.01 *DEVEL* 2005-07-19 (troberto.quifis.uv.es)
!
 dihedral
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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   )   1.0   -132.20    40.00   2 
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   assign (resid  41 and name C   )   (resid  42 and name N   )
          (resid  42 and name CA  )   (resid  42 and name C   )   1.0   -109.42    40.00   2 
   assign (resid  42 and name N   )   (resid  42 and name CA  )
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   assign (resid  42 and name C   )   (resid  43 and name N   )
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          (resid  51 and name CA  )   (resid  51 and name C   )   1.0   -120.94    40.00   2 
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          (resid  52 and name CA  )   (resid  52 and name C   )   1.0    -93.45    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    125.15    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    -61.36    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    -28.59    50.00   2 
 end
!END Manual Input
SiR90_hbond.tbl0000644001357700307730000000422010637763551012176 0ustar  gvtsnmr! created by  NOESY_Assign Version 2.1.1 Copyright(C) 2005

assign (resid 7    and name O     )(resid 49   and name N     )    2.80  0.4  0.5
assign (resid 7    and name O     )(resid 49   and name HN    )     1.8  0.3  0.5
assign (resid 9    and name O     )(resid 51   and name N     )    2.80  0.4  0.5
assign (resid 9    and name O     )(resid 51   and name HN    )     1.8  0.3  0.5
assign (resid 11   and name O     )(resid 53   and name N     )    2.80  0.4  0.5
assign (resid 11   and name O     )(resid 53   and name HN    )     1.8  0.3  0.5
assign (resid 14   and name O     )(resid 34   and name N     )    2.80  0.4  0.5
assign (resid 14   and name O     )(resid 34   and name HN    )     1.8  0.3  0.5
assign (resid 16   and name O     )(resid 32   and name N     )    2.80  0.4  0.5
assign (resid 16   and name O     )(resid 32   and name HN    )     1.8  0.3  0.5
assign (resid 19   and name O     )(resid 27   and name N     )    2.80  0.4  0.5
assign (resid 19   and name O     )(resid 27   and name HN    )     1.8  0.3  0.5
assign (resid 32   and name O     )(resid 16   and name N     )    2.80  0.4  0.5
assign (resid 32   and name O     )(resid 16   and name HN    )     1.8  0.3  0.5
assign (resid 39   and name O     )(resid 52   and name N     )    2.80  0.4  0.5
assign (resid 39   and name O     )(resid 52   and name HN    )     1.8  0.3  0.5
assign (resid 41   and name O     )(resid 50   and name N     )    2.80  0.4  0.5
assign (resid 41   and name O     )(resid 50   and name HN    )     1.8  0.3  0.5
assign (resid 48   and name O     )(resid 43   and name N     )    2.80  0.4  0.5
assign (resid 48   and name O     )(resid 43   and name HN    )     1.8  0.3  0.5
assign (resid 49   and name O     )(resid 9    and name N     )    2.80  0.4  0.5
assign (resid 49   and name O     )(resid 9    and name HN    )     1.8  0.3  0.5
assign (resid 50   and name O     )(resid 41   and name N     )    2.80  0.4  0.5
assign (resid 50   and name O     )(resid 41   and name HN    )     1.8  0.3  0.5
assign (resid 51   and name O     )(resid 11   and name N     )    2.80  0.4  0.5
assign (resid 51   and name O     )(resid 11   and name HN    )     1.8  0.3  0.5
SiR90_noe.tbl0000644001357700307730000032607210637763544011703 0ustar  gvtsnmr! created by  NOESY_Assign Version 2.1.1 Copyright(C) 2005

!T2
!assign (resid 2    and name HA    )(resid 2    and name HB    )     2.5  0.7 0.4
assign (resid 2    and name HA    )(resid 2    and name HG2#  )     4.0  2.2 1.6
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 HA    )     4.0  2.2 1.0
!assign (resid 2    and name HB    )(resid 2    and name HG2#  )     4.0  2.2 2.0
assign (resid 2    and name HB    )(resid 3    and name HN    )     4.0  2.2 1.0
assign (resid 2    and name HB    )(resid 4    and name HN    )     3.0  1.2 0.5
assign (resid 2    and name HB    )(resid 4    and name HA    )     3.0  1.2 0.5
assign (resid 2    and name HG2#  )(resid 4    and name HA    )     4.0  2.2 2.0
!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 HG2#  )     4.0  2.2 2.0
assign (resid 3    and name HN    )(resid 3    and name HD1#  )     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    )     3.0  1.2 0.5
assign (resid 3    and name HA    )(resid 4    and name HG#   )     4.0  2.2 2.0
!assign (resid 3    and name HB    )(resid 3    and name HG1#  )     4.0  2.2 2.0
!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    )     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 HG2#  )(resid 3    and name HD1#  )     4.0  2.2 3.0
assign (resid 3    and name HD1#  )(resid 5    and name HB#   )     4.0  2.2 3.0
!Q4
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 HB2   )     4.0  2.2 1.0
assign (resid 4    and name HN    )(resid 4    and name HB1   )     4.0  2.2 1.0
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 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 5    and name HN    )     3.0  1.2 0.5
assign (resid 4    and name HA    )(resid 5    and name HB#   )     4.0  2.2 2.0
assign (resid 4    and name HA    )(resid 6    and name HD#   )     4.0  2.2 2.0
!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 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 5    and name HA    )     4.0  2.2 2.0
assign (resid 4    and name HG#   )(resid 4    and name HE2#  )     4.0  2.2 3.0
assign (resid 4    and name HG#   )(resid 5    and name HN    )     4.0  2.2 2.0
!A5
assign (resid 5    and name HN    )(resid 5    and name HA    )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 5    and name HB#   )     4.0  2.2 1.6
assign (resid 5    and name HN    )(resid 6    and name HG#   )     4.0  2.2 2.0
assign (resid 5    and name HN    )(resid 6    and name HD2   )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 6    and name HD1   )     4.0  2.2 1.0
!assign (resid 5    and name HA    )(resid 5    and name HB#   )     4.0  2.2 1.2
assign (resid 5    and name HA    )(resid 6    and name HA    )     4.0  2.2 1.0
assign (resid 5    and name HA    )(resid 6    and name HG#   )     4.0  2.2 2.0
assign (resid 5    and name HA    )(resid 6    and name HD2   )     4.0  2.2 1.0
assign (resid 5    and name HA    )(resid 6    and name HD1   )     4.0  2.2 1.0
assign (resid 5    and name HA    )(resid 7    and name HN    )     4.0  2.2 1.0
assign (resid 5    and name HB#   )(resid 6    and name HD2   )     4.0  2.2 2.0
assign (resid 5    and name HB#   )(resid 6    and name HD1   )     4.0  2.2 2.0
!P6
!assign (resid 6    and name HA    )(resid 6    and name HB2   )     4.0  2.2 1.0
!assign (resid 6    and name HA    )(resid 6    and name HB1   )     4.0  2.2 1.0
!assign (resid 6    and name HA    )(resid 6    and name HG#   )     4.0  2.2 2.0
!assign (resid 6    and name HA    )(resid 6    and name HD2   )     4.0  2.2 1.0
!assign (resid 6    and name HA    )(resid 6    and name HD1   )     4.0  2.2 1.0
assign (resid 6    and name HA    )(resid 7    and name HN    )     2.5  0.7 0.4
!assign (resid 6    and name HB2   )(resid 6    and name HG#   )     4.0  2.2 2.0
!assign (resid 6    and name HB1   )(resid 6    and name HG#   )     4.0  2.2 2.0
!assign (resid 6    and name HB#   )(resid 6    and name HD2   )     4.0  2.2 2.0
!assign (resid 6    and name HB#   )(resid 6    and name HD1   )     4.0  2.2 2.0
assign (resid 6    and name HB#   )(resid 7    and name HN    )     4.0  2.2 2.0
!assign (resid 6    and name HG#   )(resid 6    and name HD2   )     4.0  2.2 2.0
!assign (resid 6    and name HG#   )(resid 6    and name HD1   )     4.0  2.2 2.0
!E7
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#   )     4.0  2.2 2.0
assign (resid 7    and name HN    )(resid 7    and name HG2   )     4.0  2.2 1.0
assign (resid 7    and name HN    )(resid 7    and name HG1   )     4.0  2.2 1.0
!assign (resid 7    and name HA    )(resid 7    and name HB#   )     4.0  2.2 2.0
assign (resid 7    and name HA    )(resid 7    and name HG#   )     4.0  2.2 2.0
assign (resid 7    and name HA    )(resid 8    and name HN    )     2.5  0.7 0.4
!assign (resid 7    and name HB#   )(resid 7    and name HG#   )     4.0  2.2 3.0
assign (resid 7    and name HB#   )(resid 8    and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG2   )(resid 8    and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HG1   )(resid 8    and name HN    )     4.0  2.2 1.0
!T8
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    )     3.0  1.2 0.5
assign (resid 8    and name HN    )(resid 8    and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HN    )(resid 9    and name HN    )     4.0  2.2 1.0
!assign (resid 8    and name HA    )(resid 8    and name HB    )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 8    and name HG2#  )     4.0  2.2 1.6
assign (resid 8    and name HA    )(resid 9    and name HN    )     3.0  1.2 0.5
assign (resid 8    and name HA    )(resid 49   and name HN    )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 49   and name HB2   )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 49   and name HB1   )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 49   and name HD#   )     4.0  2.2 2.0
assign (resid 8    and name HA    )(resid 50   and name HA    )     4.0  2.2 1.0
!assign (resid 8    and name HB    )(resid 8    and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HB    )(resid 9    and name HN    )     4.0  2.2 1.0
assign (resid 8    and name HB    )(resid 10   and name HG1#  )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 9    and name HN    )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 10   and name HN    )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 49   and name HN    )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 49   and name HB2   )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 49   and name HB1   )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 49   and name HD#   )     4.0  2.2 3.0
assign (resid 8    and name HG2#  )(resid 49   and name HG#   )     4.0  2.2 3.0
assign (resid 8    and name HG2#  )(resid 51   and name HN    )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 51   and name HA    )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 51   and name HB    )     4.0  2.2 2.0
assign (resid 8    and name HG2#  )(resid 51   and name HG2#  )     4.0  2.2 3.0
!K9
assign (resid 9    and name HN    )(resid 9    and name HA    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 9    and name HB2   )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 9    and name HB1   )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 9    and name HG2   )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 9    and name HG1   )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 49   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 50   and name HA    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 51   and name HN    )     2.5  0.7 0.4
assign (resid 9    and name HN    )(resid 51   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 9    and name HD#   )     4.0  2.2 2.0
assign (resid 9    and name HA    )(resid 9    and name HG2   )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 9    and name HG1   )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 10   and name HN    )     3.0  1.2 0.5
assign (resid 9    and name HA    )(resid 10   and name HB    )     4.0  2.2 1.0
assign (resid 9    and name HB#   )(resid 9    and name HD2   )     4.0  2.2 2.0
assign (resid 9    and name HB#   )(resid 9    and name HD1   )     4.0  2.2 2.0
!assign (resid 9    and name HB2   )(resid 9    and name HG2   )     4.0  2.2 1.0
!assign (resid 9    and name HB2   )(resid 9    and name HG1   )     4.0  2.2 1.0
!assign (resid 9    and name HB1   )(resid 9    and name HG2   )     4.0  2.2 1.0
!assign (resid 9    and name HB1   )(resid 9    and name HG1   )     4.0  2.2 1.0
assign (resid 9    and name HB2   )(resid 9    and name HE#   )     4.0  2.2 2.0
assign (resid 9    and name HB1   )(resid 9    and name HE#   )     4.0  2.2 2.0
assign (resid 9    and name HB#   )(resid 10   and name HN    )     4.0  2.2 2.0
assign (resid 9    and name HB#   )(resid 50   and name HA    )     4.0  2.2 2.0
assign (resid 9    and name HB2   )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 9    and name HB1   )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 9    and name HB2   )(resid 50   and name HE#   )     4.0  2.2 3.0
assign (resid 9    and name HB1   )(resid 50   and name HE#   )     4.0  2.2 3.0
assign (resid 9    and name HB2   )(resid 51   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HB1   )(resid 51   and name HN    )     4.0  2.2 1.0
!assign (resid 9    and name HD2   )(resid 9    and name HE#   )     4.0  2.2 2.0
!assign (resid 9    and name HD1   )(resid 9    and name HE#   )     4.0  2.2 2.0
assign (resid 9    and name HD2   )(resid 50   and name HE#   )     4.0  2.2 3.0
assign (resid 9    and name HD1   )(resid 50   and name HE#   )     4.0  2.2 3.0
!assign (resid 9    and name HG2   )(resid 9    and name HD2   )     4.0  2.2 1.0
!assign (resid 9    and name HG2   )(resid 9    and name HD1   )     4.0  2.2 1.0
!assign (resid 9    and name HG1   )(resid 9    and name HD2   )     4.0  2.2 1.0
!assign (resid 9    and name HG1   )(resid 9    and name HD1   )     4.0  2.2 1.0
assign (resid 9    and name HG2   )(resid 9    and name HE#   )     4.0  2.2 2.0
assign (resid 9    and name HG1   )(resid 9    and name HE#   )     4.0  2.2 2.0
assign (resid 9    and name HG2   )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HG1   )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HG#   )(resid 48   and name HB#   )     4.0  2.2 3.0
assign (resid 9    and name HG#   )(resid 50   and name HE#   )     4.0  2.2 4.0
!I10
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 HB    )     3.0  1.2 0.5
assign (resid 10   and name HN    )(resid 10   and name HG12  )     4.0  2.2 1.0
assign (resid 10   and name HN    )(resid 10   and name HG11  )     4.0  2.2 1.0
assign (resid 10   and name HN    )(resid 10   and name HG2#  )     4.0  2.2 2.0
assign (resid 10   and name HN    )(resid 10   and name HD1#  )     4.0  2.2 2.0
assign (resid 10   and name HN    )(resid 11   and name HN    )     4.0  2.2 1.0
!assign (resid 10   and name HA    )(resid 10   and name HB    )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 10   and name HG12  )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 10   and name HG11  )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 10   and name HG2#  )     4.0  2.2 1.6
assign (resid 10   and name HA    )(resid 10   and name HD1#  )     4.0  2.2 2.0
assign (resid 10   and name HA    )(resid 11   and name HN    )     3.0  1.2 0.5
assign (resid 10   and name HA    )(resid 51   and name HN    )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 51   and name HB    )     4.0  2.2 1.0
!assign (resid 10   and name HB    )(resid 10   and name HG12  )     4.0  2.2 1.0
!assign (resid 10   and name HB    )(resid 10   and name HG11  )     4.0  2.2 1.0
!assign (resid 10   and name HB    )(resid 10   and name HG2#  )     4.0  2.2 2.0
assign (resid 10   and name HB    )(resid 10   and name HD1#  )     4.0  2.2 2.0
assign (resid 10   and name HB    )(resid 11   and name HN    )     4.0  2.2 1.0
assign (resid 10   and name HG12  )(resid 10   and name HG2#  )     4.0  2.2 2.0
assign (resid 10   and name HG11  )(resid 10   and name HG2#  )     4.0  2.2 2.0
!assign (resid 10   and name HG12  )(resid 10   and name HD1#  )     4.0  2.2 2.0
!assign (resid 10   and name HG11  )(resid 10   and name HD1#  )     4.0  2.2 2.0
assign (resid 10   and name HG1#  )(resid 51   and name HB    )     4.0  2.2 2.0
assign (resid 10   and name HG2#  )(resid 11   and name HN    )     4.0  2.2 2.0
assign (resid 10   and name HG2#  )(resid 53   and name HN    )     4.0  2.2 2.0
assign (resid 10   and name HG2#  )(resid 53   and name HA    )     4.0  2.2 2.0
assign (resid 10   and name HG2#  )(resid 53   and name HB2   )     4.0  2.2 2.0
assign (resid 10   and name HG2#  )(resid 53   and name HB1   )     4.0  2.2 2.0
assign (resid 10   and name HG2#  )(resid 53   and name HD#   )     4.0  2.2 3.0
assign (resid 10   and name HG2#  )(resid 53   and name HG#   )     4.0  2.2 3.0
assign (resid 10   and name HG2#  )(resid 54   and name HN    )     4.0  2.2 2.0
!V11
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 HB    )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 11   and name HG1#  )     4.0  2.2 2.0
assign (resid 11   and name HN    )(resid 11   and name HG2#  )     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 51   and name HN    )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 52   and name HA    )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 11   and name HA    )(resid 11   and name HB    )     3.0  1.2 0.5
assign (resid 11   and name HA    )(resid 11   and name HG1#  )     4.0  2.2 2.0
assign (resid 11   and name HA    )(resid 11   and name HG2#  )     4.0  2.2 2.0
assign (resid 11   and name HA    )(resid 12   and name HN    )     3.0  1.2 0.5
assign (resid 11   and name HA    )(resid 12   and name HA    )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 12   and name HB#   )     4.0  2.2 2.0
assign (resid 11   and name HA    )(resid 13   and name HN    )     4.0  2.2 1.0
!assign (resid 11   and name HB    )(resid 11   and name HG1#  )     4.0  2.2 2.0
!assign (resid 11   and name HB    )(resid 11   and name HG2#  )     4.0  2.2 2.0
assign (resid 11   and name HB    )(resid 12   and name HN    )     3.0  1.2 0.5
assign (resid 11   and name HB    )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 11   and name HB    )(resid 13   and name HB#   )     4.0  2.2 2.0
assign (resid 11   and name HB    )(resid 16   and name HG1#  )     4.0  2.2 2.0
assign (resid 11   and name HB    )(resid 16   and name HG2#  )     4.0  2.2 2.0
!assign (resid 11   and name HG1#  )(resid 11   and name HG2#  )     4.0  2.2 3.0
assign (resid 11   and name HG1#  )(resid 12   and name HN    )     4.0  2.2 2.0
assign (resid 11   and name HG2#  )(resid 12   and name HN    )     4.0  2.2 2.0
assign (resid 11   and name HG1#  )(resid 13   and name HN    )     4.0  2.2 2.0
assign (resid 11   and name HG2#  )(resid 13   and name HN    )     4.0  2.2 2.0
assign (resid 11   and name HG1#  )(resid 16   and name HG1#  )     4.0  2.2 3.0
assign (resid 11   and name HG1#  )(resid 16   and name HG2#  )     4.0  2.2 3.0
assign (resid 11   and name HG2#  )(resid 16   and name HG1#  )     4.0  2.2 3.0
assign (resid 11   and name HG2#  )(resid 16   and name HG2#  )     4.0  2.2 3.0
assign (resid 11   and name HG2#  )(resid 34   and name HG1#  )     4.0  2.2 3.0
assign (resid 11   and name HG2#  )(resid 50   and name HB#   )     4.0  2.2 3.0
assign (resid 11   and name HG1#  )(resid 50   and name HD#   )     4.0  2.2 4.0
assign (resid 11   and name HG2#  )(resid 50   and name HD#   )     4.0  2.2 4.0
assign (resid 11   and name HG1#  )(resid 50   and name HE#   )     4.0  2.2 4.0
assign (resid 11   and name HG2#  )(resid 51   and name HN    )     4.0  2.2 2.0
assign (resid 11   and name HG2#  )(resid 52   and name HA    )     4.0  2.2 2.0
!D12
assign (resid 12   and name HN    )(resid 12   and name HA    )     3.0  1.2 0.5
assign (resid 12   and name HN    )(resid 12   and name HB2   )     4.0  2.2 1.0
assign (resid 12   and name HN    )(resid 12   and name HB1   )     4.0  2.2 1.0
assign (resid 12   and name HN    )(resid 13   and name HN    )     3.0  1.2 0.5
assign (resid 12   and name HN    )(resid 13   and name HA    )     4.0  2.2 1.0
assign (resid 12   and name HN    )(resid 13   and name HB#   )     4.0  2.2 2.0
assign (resid 12   and name HN    )(resid 13   and name HG#   )     4.0  2.2 2.0
assign (resid 12   and name HN    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!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 13   and name HN    )     3.0  1.2 0.5
assign (resid 12   and name HA    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 53   and name HB2   )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 53   and name HB1   )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 53   and name HD#   )     4.0  2.2 2.0
assign (resid 12   and name HB2   )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HB1   )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HB#   )(resid 13   and name HA    )     4.0  2.2 2.0
assign (resid 12   and name HB#   )(resid 53   and name HB#   )     4.0  2.2 3.0
!K13
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 13   and name HG2   )     4.0  2.2 1.0
assign (resid 13   and name HN    )(resid 13   and name HG1   )     4.0  2.2 1.0
assign (resid 13   and name HN    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 13   and name HA    )(resid 13   and name HB2   )     4.0  2.2 1.0
!assign (resid 13   and name HA    )(resid 13   and name HB1   )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 13   and name HD#   )     4.0  2.2 2.0
assign (resid 13   and name HA    )(resid 13   and name HG2   )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 13   and name HG1   )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 14   and name HN    )     3.0  1.2 0.5
assign (resid 13   and name HA    )(resid 14   and name HA    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 15   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 13   and name HB2   )(resid 13   and name HD#   )     4.0  2.2 2.0
assign (resid 13   and name HB1   )(resid 13   and name HD#   )     4.0  2.2 2.0
!assign (resid 13   and name HB2   )(resid 13   and name HG2   )     4.0  2.2 1.0
!assign (resid 13   and name HB2   )(resid 13   and name HG1   )     4.0  2.2 1.0
!assign (resid 13   and name HB1   )(resid 13   and name HG2   )     4.0  2.2 1.0
!assign (resid 13   and name HB1   )(resid 13   and name HG1   )     4.0  2.2 1.0
assign (resid 13   and name HB#   )(resid 13   and name HE#   )     4.0  2.2 3.0
assign (resid 13   and name HB2   )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HB1   )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HB2   )(resid 15   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HB1   )(resid 15   and name HN    )     4.0  2.2 1.0
!assign (resid 13   and name HD#   )(resid 13   and name HE#   )     4.0  2.2 3.0
!assign (resid 13   and name HG2   )(resid 13   and name HD#   )     4.0  2.2 2.0
!assign (resid 13   and name HG1   )(resid 13   and name HD#   )     4.0  2.2 2.0
assign (resid 13   and name HG2   )(resid 13   and name HE#   )     4.0  2.2 2.0
assign (resid 13   and name HG1   )(resid 13   and name HE#   )     4.0  2.2 2.0
assign (resid 13   and name HG2   )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HG1   )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HG#   )(resid 15   and name HB#   )     4.0  2.2 3.0
!S14
assign (resid 14   and name HN    )(resid 14   and name HA    )     4.0  2.2 1.0
assign (resid 14   and name HN    )(resid 14   and name HB2   )     4.0  2.2 1.0
assign (resid 14   and name HN    )(resid 14   and name HB1   )     4.0  2.2 1.0
assign (resid 14   and name HN    )(resid 15   and name HN    )     3.0  1.2 0.5
assign (resid 14   and name HN    )(resid 15   and name HB#   )     4.0  2.2 2.0
assign (resid 14   and name HN    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 14   and name HN    )(resid 52   and name HD2#  )     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 15   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HA    )(resid 33   and name HA    )     4.0  2.2 1.0
assign (resid 14   and name HA    )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HA    )(resid 34   and name HB    )     4.0  2.2 1.0
assign (resid 14   and name HA    )(resid 34   and name HD1#  )     4.0  2.2 2.0
assign (resid 14   and name HA    )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 14   and name HA    )(resid 52   and name HD2#  )     4.0  2.2 2.0
assign (resid 14   and name HB2   )(resid 15   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HB1   )(resid 15   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HB#   )(resid 15   and name HA    )     4.0  2.2 2.0
assign (resid 14   and name HB2   )(resid 33   and name HA    )     4.0  2.2 1.0
assign (resid 14   and name HB1   )(resid 33   and name HA    )     4.0  2.2 1.0
assign (resid 14   and name HB2   )(resid 33   and name HE21  )     4.0  2.2 1.0
assign (resid 14   and name HB2   )(resid 33   and name HE22  )     4.0  2.2 1.0
assign (resid 14   and name HB1   )(resid 33   and name HE21  )     4.0  2.2 1.0
assign (resid 14   and name HB1   )(resid 33   and name HE22  )     4.0  2.2 1.0
assign (resid 14   and name HB2   )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HB1   )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HB2   )(resid 34   and name HB    )     4.0  2.2 1.0
assign (resid 14   and name HB1   )(resid 34   and name HB    )     4.0  2.2 1.0
assign (resid 14   and name HB2   )(resid 34   and name HD1#  )     4.0  2.2 2.0
assign (resid 14   and name HB1   )(resid 34   and name HD1#  )     4.0  2.2 2.0
assign (resid 14   and name HB2   )(resid 52   and name HD2#  )     4.0  2.2 2.0
assign (resid 14   and name HB1   )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 14   and name HB1   )(resid 52   and name HD2#  )     4.0  2.2 2.0
!R15
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 15   and name HD2   )     4.0  2.2 1.0
assign (resid 15   and name HN    )(resid 15   and name HD1   )     4.0  2.2 1.0
assign (resid 15   and name HN    )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HN    )(resid 34   and name HD1#  )     4.0  2.2 2.0
!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 HG2   )     4.0  2.2 1.0
assign (resid 15   and name HA    )(resid 15   and name HG1   )     4.0  2.2 1.0
assign (resid 15   and name HA    )(resid 15   and name HD#   )     4.0  2.2 2.0
assign (resid 15   and name HA    )(resid 16   and name HN    )     3.0  1.2 0.5
assign (resid 15   and name HA    )(resid 16   and name HG2#  )     4.0  2.2 2.0
assign (resid 15   and name HA    )(resid 33   and name HA    )     4.0  2.2 1.0
assign (resid 15   and name HA    )(resid 33   and name HB#   )     4.0  2.2 2.0
assign (resid 15   and name HA    )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HB2   )(resid 15   and name HD#   )     4.0  2.2 2.0
assign (resid 15   and name HB1   )(resid 15   and name HD#   )     4.0  2.2 2.0
assign (resid 15   and name HB2   )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HB1   )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HB#   )(resid 33   and name HE21  )     4.0  2.2 2.0
assign (resid 15   and name HB#   )(resid 33   and name HE22  )     4.0  2.2 2.0
!assign (resid 15   and name HG2   )(resid 15   and name HD2   )     4.0  2.2 1.0
!assign (resid 15   and name HG2   )(resid 15   and name HD1   )     4.0  2.2 1.0
!assign (resid 15   and name HG1   )(resid 15   and name HD2   )     4.0  2.2 1.0
!assign (resid 15   and name HG1   )(resid 15   and name HD1   )     4.0  2.2 1.0
assign (resid 15   and name HG2   )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HG1   )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HG#   )(resid 31   and name HZ3   )     4.0  2.2 2.0
assign (resid 15   and name HG#   )(resid 31   and name HE3   )     4.0  2.2 2.0
assign (resid 15   and name HG2   )(resid 33   and name HE2#  )     4.0  2.2 2.0
assign (resid 15   and name HG1   )(resid 33   and name HE2#  )     4.0  2.2 2.0
assign (resid 15   and name HD2   )(resid 33   and name HE2#  )     4.0  2.2 2.0
assign (resid 15   and name HD1   )(resid 33   and name HE2#  )     4.0  2.2 2.0
!V16
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 HB    )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 16   and name HG1#  )     4.0  2.2 2.0
assign (resid 16   and name HN    )(resid 16   and name HG2#  )     4.0  2.2 2.0
assign (resid 16   and name HN    )(resid 17   and name HN    )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 17   and name HA    )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 32   and name HB#   )     4.0  2.2 2.0
assign (resid 16   and name HN    )(resid 33   and name HA    )     4.0  2.2 1.0
!assign (resid 16   and name HA    )(resid 16   and name HB    )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 16   and name HG1#  )     4.0  2.2 2.0
assign (resid 16   and name HA    )(resid 16   and name HG2#  )     4.0  2.2 2.0
assign (resid 16   and name HA    )(resid 17   and name HN    )     2.5  0.7 0.4
assign (resid 16   and name HA    )(resid 17   and name HB#   )     4.0  2.2 2.0
!assign (resid 16   and name HB    )(resid 16   and name HG1#  )     4.0  2.2 2.0
!assign (resid 16   and name HB    )(resid 16   and name HG2#  )     4.0  2.2 2.0
assign (resid 16   and name HB    )(resid 17   and name HN    )     4.0  2.2 1.0
assign (resid 16   and name HB    )(resid 18   and name HB#   )     4.0  2.2 2.0
assign (resid 16   and name HB    )(resid 32   and name HD2#  )     4.0  2.2 2.0
assign (resid 16   and name HG1#  )(resid 17   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 17   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG1#  )(resid 18   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG1#  )(resid 32   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 32   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG1#  )(resid 32   and name HD1#  )     4.0  2.2 3.0
assign (resid 16   and name HG1#  )(resid 32   and name HD2#  )     4.0  2.2 3.0
assign (resid 16   and name HG2#  )(resid 34   and name HG1#  )     4.0  2.2 3.0
assign (resid 16   and name HG2#  )(resid 34   and name HG2#  )     4.0  2.2 3.0
assign (resid 16   and name HG2#  )(resid 34   and name HD1#  )     4.0  2.2 3.0
assign (resid 16   and name HG2#  )(resid 50   and name HB#   )     4.0  2.2 3.0
assign (resid 16   and name HG1#  )(resid 50   and name HD#   )     4.0  2.2 4.0
assign (resid 16   and name HG2#  )(resid 50   and name HD#   )     4.0  2.2 4.0
assign (resid 16   and name HG1#  )(resid 50   and name HE#   )     4.0  2.2 4.0
assign (resid 16   and name HG2#  )(resid 50   and name HE#   )     4.0  2.2 4.0
!A17
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 HB#   )     4.0  2.2 1.6
assign (resid 17   and name HN    )(resid 18   and name HN    )     4.0  2.2 1.0
assign (resid 17   and name HN    )(resid 31   and name HZ3   )     4.0  2.2 1.0
assign (resid 17   and name HN    )(resid 31   and name HE3   )     4.0  2.2 1.0
assign (resid 17   and name HN    )(resid 32   and name HN    )     4.0  2.2 1.0
!assign (resid 17   and name HA    )(resid 17   and name HB#   )     4.0  2.2 1.2
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 HA    )(resid 29   and name HD#   )     4.0  2.2 2.0
assign (resid 17   and name HA    )(resid 29   and name HG#   )     4.0  2.2 2.0
assign (resid 17   and name HA    )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 31   and name HA    )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 31   and name HE3   )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 17   and name HB#   )(resid 18   and name HN    )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 29   and name HD2   )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 29   and name HD1   )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 29   and name HG2   )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 29   and name HG1   )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 29   and name HE    )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 30   and name HN    )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 31   and name HE1   )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 31   and name HH2   )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 31   and name HZ3   )     4.0  2.2 2.0
assign (resid 17   and name HB#   )(resid 31   and name HE3   )     4.0  2.2 2.0
!C18
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 30   and name HN    )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 30   and name HB    )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 30   and name HG##  )     4.0  2.2 3.4
assign (resid 18   and name HN    )(resid 31   and name HA    )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 32   and name HB#   )     4.0  2.2 2.0
assign (resid 18   and name HN    )(resid 32   and name HD2#  )     4.0  2.2 2.0
!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 HA    )(resid 19   and name HN    )     3.0  1.2 0.5
assign (resid 18   and name HA    )(resid 20   and name HN    )     4.0  2.2 1.0
assign (resid 18   and name HB2   )(resid 19   and name HN    )     4.0  2.2 1.0
assign (resid 18   and name HB1   )(resid 19   and name HN    )     4.0  2.2 1.0
assign (resid 18   and name HB#   )(resid 20   and name HN    )     4.0  2.2 2.0
assign (resid 18   and name HB#   )(resid 30   and name HB    )     4.0  2.2 2.0
assign (resid 18   and name HB#   )(resid 30   and name HG1#  )     4.0  2.2 3.0
assign (resid 18   and name HB#   )(resid 30   and name HG2#  )     4.0  2.2 3.0
assign (resid 18   and name HB#   )(resid 30   and name HG1#  )     4.0  2.2 3.0
assign (resid 18   and name HB2   )(resid 32   and name HD2#  )     4.0  2.2 2.0
assign (resid 18   and name HB1   )(resid 32   and name HD2#  )     4.0  2.2 2.0
assign (resid 18   and name HB#   )(resid 43   and name HB2   )     4.0  2.2 2.0
assign (resid 18   and name HB#   )(resid 43   and name HB1   )     4.0  2.2 2.0
assign (resid 18   and name HB2   )(resid 50   and name HE#   )     4.0  2.2 3.0
assign (resid 18   and name HB1   )(resid 50   and name HE#   )     4.0  2.2 3.0
!D19
assign (resid 19   and name HN    )(resid 19   and name HA    )     4.0  2.2 1.0
assign (resid 19   and name HN    )(resid 19   and name HB2   )     4.0  2.2 1.0
assign (resid 19   and name HN    )(resid 19   and name HB1   )     4.0  2.2 1.0
assign (resid 19   and name HN    )(resid 20   and name HN    )     3.0  1.2 0.5
assign (resid 19   and name HN    )(resid 20   and name HA#   )     4.0  2.2 1.6
!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 20   and name HN    )     4.0  2.2 1.0
assign (resid 19   and name HA    )(resid 20   and name HA#   )     4.0  2.2 1.6
assign (resid 19   and name HA    )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 19   and name HB#   )(resid 20   and name HN    )     4.0  2.2 2.0
!G20
assign (resid 20   and name HN    )(resid 20   and name HA2   )     4.0  2.2 1.0
assign (resid 20   and name HN    )(resid 20   and name HA1   )     4.0  2.2 1.0
assign (resid 20   and name HN    )(resid 21   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HN    )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HA2   )(resid 21   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HA1   )(resid 21   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HA#   )(resid 21   and name HA#   )     4.0  2.2 2.2
assign (resid 20   and name HA2   )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HA1   )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HA2   )(resid 27   and name HE1   )     4.0  2.2 1.0
assign (resid 20   and name HA1   )(resid 27   and name HE1   )     4.0  2.2 1.0
!G21
assign (resid 21   and name HN    )(resid 21   and name HA2   )     4.0  2.2 1.0
assign (resid 21   and name HN    )(resid 21   and name HA1   )     4.0  2.2 1.0
assign (resid 21   and name HN    )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HN    )(resid 25   and name HB#   )     3.0  1.2 1.5
assign (resid 21   and name HN    )(resid 25   and name HD1#  )     4.0  2.2 2.0
assign (resid 21   and name HN    )(resid 26   and name HA2   )     4.0  2.2 1.0
assign (resid 21   and name HN    )(resid 26   and name HA1   )     4.0  2.2 1.0
assign (resid 21   and name HA2   )(resid 22   and name HN    )     3.0  1.2 0.5
assign (resid 21   and name HA1   )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HA#   )(resid 25   and name HA    )     4.0  2.2 2.0
assign (resid 21   and name HA2   )(resid 25   and name HB#   )     4.0  2.2 2.0
assign (resid 21   and name HA1   )(resid 25   and name HB#   )     4.0  2.2 2.0
assign (resid 21   and name HA2   )(resid 25   and name HD1#  )     4.0  2.2 2.0
assign (resid 21   and name HA1   )(resid 25   and name HD1#  )     4.0  2.2 2.0
!E22
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 25   and name HB#   )     3.0  1.2 1.5
assign (resid 22   and name HN    )(resid 25   and name HD1#  )     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 HG#   )     4.0  2.2 2.0
assign (resid 22   and name HA    )(resid 23   and name HN    )     3.0  1.2 0.5
assign (resid 22   and name HA    )(resid 23   and name HA#   )     4.0  2.2 1.6
!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 HB2   )(resid 23   and name HN    )     4.0  2.2 1.0
assign (resid 22   and name HB1   )(resid 23   and name HN    )     4.0  2.2 1.0
assign (resid 22   and name HG#   )(resid 23   and name HN    )     4.0  2.2 2.0
!G23
assign (resid 23   and name HN    )(resid 23   and name HA2   )     3.0  1.2 0.5
assign (resid 23   and name HN    )(resid 23   and name HA1   )     3.0  1.2 0.5
assign (resid 23   and name HN    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA2   )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA1   )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA#   )(resid 24   and name HB#   )     4.0  2.2 2.6
assign (resid 23   and name HA2   )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA1   )(resid 25   and name HN    )     4.0  2.2 1.0
!A24
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#   )     4.0  2.2 1.6
assign (resid 24   and name HN    )(resid 25   and name HN    )     3.0  1.2 0.5
assign (resid 24   and name HN    )(resid 26   and name HN    )     4.0  2.2 1.0
!assign (resid 24   and name HA    )(resid 24   and name HB#   )     4.0  2.2 1.2
assign (resid 24   and name HA    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HA    )(resid 25   and name HA    )     4.0  2.2 1.0
assign (resid 24   and name HB#   )(resid 25   and name HN    )     4.0  2.2 2.0
assign (resid 24   and name HB#   )(resid 25   and name HA    )     4.0  2.2 2.0
assign (resid 24   and name HB#   )(resid 25   and name HG    )     4.0  2.2 2.0
assign (resid 24   and name HB#   )(resid 26   and name HN    )     4.0  2.2 2.0
!L25
assign (resid 25   and name HN    )(resid 25   and name HA    )     3.0  1.2 0.5
assign (resid 25   and name HN    )(resid 25   and name HB#   )     3.0  1.2 1.5
assign (resid 25   and name HN    )(resid 25   and name HG    )     4.0  2.2 1.0
assign (resid 25   and name HN    )(resid 25   and name HD1#  )     4.0  2.2 2.0
assign (resid 25   and name HN    )(resid 25   and name HD2#  )     4.0  2.2 2.0
assign (resid 25   and name HN    )(resid 26   and name HN    )     2.5  0.7 0.4
!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 1.0
assign (resid 25   and name HA    )(resid 25   and name HD2#  )     4.0  2.2 2.0
assign (resid 25   and name HA    )(resid 26   and name HN    )     3.0  1.2 0.5
!assign (resid 25   and name HB#   )(resid 25   and name HG    )     4.0  2.2 2.0
assign (resid 25   and name HB#   )(resid 25   and name HD1#  )     4.0  2.2 3.0
assign (resid 25   and name HB#   )(resid 25   and name HD2#  )     4.0  2.2 3.0
assign (resid 25   and name HB#   )(resid 26   and name HN    )     4.0  2.2 2.0
!assign (resid 25   and name HG    )(resid 25   and name HD2#  )     4.0  2.2 2.0
!G26
assign (resid 26   and name HN    )(resid 26   and name HA2   )     3.0  1.2 0.5
assign (resid 26   and name HN    )(resid 26   and name HA1   )     3.0  1.2 0.5
assign (resid 26   and name HA2   )(resid 27   and name HN    )     3.0  1.2 0.5
assign (resid 26   and name HA1   )(resid 27   and name HN    )     3.0  1.2 0.5
!H27
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   )     4.0  2.2 1.0
assign (resid 27   and name HN    )(resid 27   and name HB1   )     4.0  2.2 1.0
!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 HD2   )     4.0  2.2 1.0
assign (resid 27   and name HA    )(resid 28   and name HD2   )     4.0  2.2 1.0
assign (resid 27   and name HA    )(resid 28   and name HD1   )     4.0  2.2 1.0
assign (resid 27   and name HA    )(resid 30   and name HG##  )     4.0  2.2 3.4
assign (resid 27   and name HB#   )(resid 28   and name HG#   )     4.0  2.2 3.0
assign (resid 27   and name HB2   )(resid 28   and name HD#   )     4.0  2.2 2.0
assign (resid 27   and name HB1   )(resid 28   and name HD#   )     4.0  2.2 2.0
assign (resid 27   and name HB#   )(resid 29   and name HA    )     4.0  2.2 2.0
assign (resid 27   and name HB#   )(resid 30   and name HG##  )     4.0  2.2 4.4
assign (resid 27   and name HE1   )(resid 45   and name HB2   )     4.0  2.2 1.0
assign (resid 27   and name HE1   )(resid 45   and name HB1   )     4.0  2.2 1.0
assign (resid 27   and name HE1   )(resid 46   and name HN    )     4.0  2.2 1.0
assign (resid 27   and name HE1   )(resid 46   and name HB2   )     4.0  2.2 1.0
assign (resid 27   and name HE1   )(resid 46   and name HB1   )     4.0  2.2 1.0
!P28
!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 28   and name HG2   )     4.0  2.2 1.0
!assign (resid 28   and name HA    )(resid 28   and name HG1   )     4.0  2.2 1.0
!assign (resid 28   and name HA    )(resid 28   and name HD#   )     4.0  2.2 2.0
assign (resid 28   and name HA    )(resid 29   and name HN    )     3.0  1.2 0.5
!assign (resid 28   and name HB2   )(resid 28   and name HG2   )     4.0  2.2 1.0
!assign (resid 28   and name HB2   )(resid 28   and name HG1   )     4.0  2.2 1.0
!assign (resid 28   and name HB1   )(resid 28   and name HG2   )     4.0  2.2 1.0
!assign (resid 28   and name HB1   )(resid 28   and name HG1   )     4.0  2.2 1.0
!assign (resid 28   and name HB2   )(resid 28   and name HD2   )     4.0  2.2 1.0
!assign (resid 28   and name HB2   )(resid 28   and name HD1   )     4.0  2.2 1.0
!assign (resid 28   and name HB1   )(resid 28   and name HD2   )     4.0  2.2 1.0
!assign (resid 28   and name HB1   )(resid 28   and name HD1   )     4.0  2.2 1.0
assign (resid 28   and name HB#   )(resid 29   and name HN    )     4.0  2.2 2.0
!assign (resid 28   and name HG2   )(resid 28   and name HD2   )     4.0  2.2 1.0
!assign (resid 28   and name HG2   )(resid 28   and name HD1   )     4.0  2.2 1.0
!assign (resid 28   and name HG1   )(resid 28   and name HD2   )     4.0  2.2 1.0
!assign (resid 28   and name HG1   )(resid 28   and name HD1   )     4.0  2.2 1.0
!R29
assign (resid 29   and name HN    )(resid 29   and name HD2   )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 29   and name HD1   )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 29   and name HG#   )     4.0  2.2 2.0
assign (resid 29   and name HN    )(resid 29   and name HB2   )     3.0  1.2 0.5
assign (resid 29   and name HN    )(resid 29   and name HB1   )     3.0  1.2 0.5
assign (resid 29   and name HN    )(resid 29   and name HA    )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 30   and name HN    )     2.5  0.7 0.4
assign (resid 29   and name HN    )(resid 30   and name HG1#  )     4.0  2.2 2.0
assign (resid 29   and name HN    )(resid 30   and name HG2#  )     4.0  2.2 2.0
!assign (resid 29   and name HD2   )(resid 29   and name HE    )     4.0  2.2 1.0
!assign (resid 29   and name HD1   )(resid 29   and name HE    )     4.0  2.2 1.0
assign (resid 29   and name HD2   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HD1   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HD2   )(resid 31   and name HE1   )     4.0  2.2 1.0
assign (resid 29   and name HD1   )(resid 31   and name HE1   )     4.0  2.2 1.0
!assign (resid 29   and name HG2   )(resid 29   and name HD2   )     4.0  2.2 1.0
!assign (resid 29   and name HG2   )(resid 29   and name HD1   )     4.0  2.2 1.0
!assign (resid 29   and name HG1   )(resid 29   and name HD2   )     4.0  2.2 1.0
!assign (resid 29   and name HG1   )(resid 29   and name HD1   )     4.0  2.2 1.0
assign (resid 29   and name HG2   )(resid 29   and name HE    )     4.0  2.2 1.0
assign (resid 29   and name HG1   )(resid 29   and name HE    )     4.0  2.2 1.0
assign (resid 29   and name HG2   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HG1   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HG2   )(resid 31   and name HE1   )     4.0  2.2 1.0
assign (resid 29   and name HG1   )(resid 31   and name HE1   )     4.0  2.2 1.0
assign (resid 29   and name HB2   )(resid 29   and name HD2   )     4.0  2.2 1.0
assign (resid 29   and name HB2   )(resid 29   and name HD1   )     4.0  2.2 1.0
assign (resid 29   and name HB1   )(resid 29   and name HD2   )     4.0  2.2 1.0
assign (resid 29   and name HB1   )(resid 29   and name HD1   )     4.0  2.2 1.0
!assign (resid 29   and name HB2   )(resid 29   and name HG2   )     4.0  2.2 1.0
!assign (resid 29   and name HB2   )(resid 29   and name HG1   )     4.0  2.2 1.0
!assign (resid 29   and name HB1   )(resid 29   and name HG2   )     4.0  2.2 1.0
!assign (resid 29   and name HB1   )(resid 29   and name HG1   )     4.0  2.2 1.0
assign (resid 29   and name HB2   )(resid 29   and name HE    )     4.0  2.2 1.0
assign (resid 29   and name HB1   )(resid 29   and name HE    )     4.0  2.2 1.0
assign (resid 29   and name HB2   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HB1   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HB2   )(resid 31   and name HE1   )     4.0  2.2 1.0
assign (resid 29   and name HB1   )(resid 31   and name HE1   )     4.0  2.2 1.0
assign (resid 29   and name HA    )(resid 29   and name HD#   )     4.0  2.2 2.0
assign (resid 29   and name HA    )(resid 29   and name HG2   )     4.0  2.2 1.0
assign (resid 29   and name HA    )(resid 29   and name HG1   )     4.0  2.2 1.0
!assign (resid 29   and name HA    )(resid 29   and name HB2   )     4.0  2.2 1.0
!assign (resid 29   and name HA    )(resid 29   and name HB1   )     4.0  2.2 1.0
assign (resid 29   and name HA    )(resid 30   and name HN    )     2.5  0.7 0.4
assign (resid 29   and name HA    )(resid 30   and name HG##  )     4.0  2.2 3.4
assign (resid 29   and name HE    )(resid 31   and name HE1   )     4.0  2.2 1.0
!V30
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 HB    )     4.0  2.2 1.0
assign (resid 30   and name HN    )(resid 30   and name HG##  )     4.0  2.2 2.7
assign (resid 30   and name HN    )(resid 30   and name HG2#  )     4.0  2.2 2.0
assign (resid 30   and name HN    )(resid 32   and name HD1#  )     4.0  2.2 2.0
!assign (resid 30   and name HA    )(resid 30   and name HB    )     4.0  2.2 1.0
assign (resid 30   and name HA    )(resid 30   and name HG1#  )     4.0  2.2 2.0
assign (resid 30   and name HA    )(resid 30   and name HG2#  )     4.0  2.2 2.0
assign (resid 30   and name HA    )(resid 31   and name HN    )     3.0  1.2 0.5
assign (resid 30   and name HA    )(resid 31   and name HD1   )     4.0  2.2 1.0
!assign (resid 30   and name HB    )(resid 30   and name HG1#  )     4.0  2.2 2.0
!assign (resid 30   and name HB    )(resid 30   and name HG2#  )     4.0  2.2 2.0
assign (resid 30   and name HB    )(resid 31   and name HN    )     4.0  2.2 1.0
assign (resid 30   and name HB    )(resid 45   and name HE#   )     4.0  2.2 3.0
assign (resid 30   and name HG##  )(resid 31   and name HN    )     4.0  2.2 3.4
assign (resid 30   and name HG##  )(resid 32   and name HD1#  )     4.0  2.2 4.4
assign (resid 30   and name HG##  )(resid 44   and name HG#   )     4.0  2.2 4.4
assign (resid 30   and name HG1#  )(resid 44   and name HD#   )     4.0  2.2 3.0
assign (resid 30   and name HG2#  )(resid 44   and name HD#   )     4.0  2.2 3.0
assign (resid 30   and name HG##  )(resid 45   and name HD#   )     4.0  2.2 5.4
assign (resid 30   and name HG1#  )(resid 45   and name HE#   )     4.0  2.2 4.0
assign (resid 30   and name HG2#  )(resid 45   and name HE#   )     4.0  2.2 4.0
!W31
assign (resid 31   and name HN    )(resid 31   and name HA    )     4.0  2.2 1.0
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 31   and name HD1   )     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 HA    )(resid 31   and name HB2   )     4.0  2.2 1.0
!assign (resid 31   and name HA    )(resid 31   and name HB1   )     4.0  2.2 1.0
assign (resid 31   and name HA    )(resid 32   and name HN    )     2.5  0.7 0.4
assign (resid 31   and name HB#   )(resid 31   and name HE1   )     4.0  2.2 2.0
assign (resid 31   and name HB2   )(resid 31   and name HD1   )     4.0  2.2 1.0
assign (resid 31   and name HB1   )(resid 31   and name HD1   )     4.0  2.2 1.0
assign (resid 31   and name HB2   )(resid 31   and name HE3   )     4.0  2.2 1.0
assign (resid 31   and name HB1   )(resid 31   and name HE3   )     4.0  2.2 1.0
assign (resid 31   and name HB2   )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HB1   )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HB#   )(resid 32   and name HA    )     4.0  2.2 2.0
!assign (resid 31   and name HE1   )(resid 31   and name HZ2   )     4.0  2.2 1.0
!assign (resid 31   and name HD1   )(resid 31   and name HE1   )     4.0  2.2 1.0
!assign (resid 31   and name HH2   )(resid 31   and name HZ3   )     4.0  2.2 1.0
!assign (resid 31   and name HZ2   )(resid 31   and name HH2   )     4.0  2.2 1.0
!assign (resid 31   and name HZ2   )(resid 31   and name HZ3   )     4.0  2.2 1.0
assign (resid 31   and name HE3   )(resid 32   and name HN    )     4.0  2.2 1.0
!L32
assign (resid 32   and name HN    )(resid 32   and name HA    )     4.0  2.2 1.0
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 1.0
assign (resid 32   and name HN    )(resid 32   and name HD1#  )     4.0  2.2 2.0
assign (resid 32   and name HN    )(resid 32   and name HD2#  )     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 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 1.0
assign (resid 32   and name HA    )(resid 32   and name HD1#  )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 32   and name HD2#  )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 33   and name HN    )     3.0  1.2 0.5
assign (resid 32   and name HA    )(resid 33   and name HB2   )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 33   and name HB1   )     4.0  2.2 1.0
!assign (resid 32   and name HB#   )(resid 32   and name HG    )     4.0  2.2 2.0
assign (resid 32   and name HB2   )(resid 32   and name HD1#  )     4.0  2.2 2.0
assign (resid 32   and name HB2   )(resid 32   and name HD2#  )     4.0  2.2 2.0
assign (resid 32   and name HB1   )(resid 32   and name HD1#  )     4.0  2.2 2.0
assign (resid 32   and name HB2   )(resid 33   and name HN    )     4.0  2.2 1.0
assign (resid 32   and name HB1   )(resid 33   and name HN    )     4.0  2.2 1.0
assign (resid 32   and name HB#   )(resid 41   and name HG##  )     4.0  2.2 4.4
!assign (resid 32   and name HG    )(resid 32   and name HD1#  )     4.0  2.2 2.0
!assign (resid 32   and name HG    )(resid 32   and name HD2#  )     4.0  2.2 2.0
!assign (resid 32   and name HD1#  )(resid 32   and name HD2#  )     4.0  2.2 3.0
assign (resid 32   and name HD1#  )(resid 33   and name HN    )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 33   and name HN    )     4.0  2.2 2.0
assign (resid 32   and name HD1#  )(resid 41   and name HG2#  )     4.0  2.2 3.0
assign (resid 32   and name HD2#  )(resid 41   and name HG1#  )     4.0  2.2 3.0
assign (resid 32   and name HD2#  )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 32   and name HD1#  )(resid 43   and name HA    )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 43   and name HA    )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 43   and name HB2   )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 43   and name HB1   )     4.0  2.2 2.0
assign (resid 32   and name HD1#  )(resid 44   and name HD2   )     4.0  2.2 2.0
assign (resid 32   and name HD1#  )(resid 44   and name HD1   )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 44   and name HD2   )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 44   and name HD1   )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 50   and name HD#   )     4.0  2.2 4.0
assign (resid 32   and name HD2#  )(resid 50   and name HE#   )     4.0  2.2 4.0
!Q33
assign (resid 33   and name HN    )(resid 33   and name HA    )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 33   and name HB#   )     3.0  1.2 1.5
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    )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 41   and name HG##  )     4.0  2.2 3.4
!assign (resid 33   and name HA    )(resid 33   and name HB#   )     4.0  2.2 2.0
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 33   and name HE2#  )     4.0  2.2 2.0
assign (resid 33   and name HA    )(resid 34   and name HN    )     3.0  1.2 0.5
assign (resid 33   and name HA    )(resid 34   and name HA    )     4.0  2.2 1.0
assign (resid 33   and name HA    )(resid 34   and name HB    )     4.0  2.2 1.0
!assign (resid 33   and name HB2   )(resid 33   and name HG#   )     4.0  2.2 2.0
!assign (resid 33   and name HB1   )(resid 33   and name HG#   )     4.0  2.2 2.0
assign (resid 33   and name HB#   )(resid 33   and name HE2#  )     4.0  2.2 3.0
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 HE21  )     4.0  2.2 1.0
assign (resid 33   and name HG2   )(resid 33   and name HE22  )     4.0  2.2 1.0
assign (resid 33   and name HG1   )(resid 33   and name HE21  )     4.0  2.2 1.0
assign (resid 33   and name HG1   )(resid 33   and name HE22  )     4.0  2.2 1.0
assign (resid 33   and name HG2   )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 33   and name HG1   )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 33   and name HE2#  )(resid 34   and name HN    )     4.0  2.2 2.0
!I34
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 HB    )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HG12  )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HG11  )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HG2#  )     4.0  2.2 2.0
assign (resid 34   and name HN    )(resid 34   and name HD1#  )     4.0  2.2 2.0
assign (resid 34   and name HN    )(resid 41   and name HG##  )     4.0  2.2 3.4
!assign (resid 34   and name HA    )(resid 34   and name HB    )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 34   and name HG12  )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 34   and name HG11  )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 34   and name HG2#  )     4.0  2.2 1.6
assign (resid 34   and name HA    )(resid 34   and name HD1#  )     4.0  2.2 2.0
assign (resid 34   and name HA    )(resid 35   and name HD2   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 35   and name HD1   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 41   and name HB    )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 41   and name HG1#  )     4.0  2.2 2.0
assign (resid 34   and name HA    )(resid 41   and name HG2#  )     4.0  2.2 2.0
!assign (resid 34   and name HB    )(resid 34   and name HG2#  )     4.0  2.2 2.0
assign (resid 34   and name HB    )(resid 34   and name HD1#  )     4.0  2.2 2.0
assign (resid 34   and name HB    )(resid 35   and name HD2   )     4.0  2.2 1.0
assign (resid 34   and name HB    )(resid 35   and name HD1   )     4.0  2.2 1.0
!assign (resid 34   and name HG12  )(resid 34   and name HD1#  )     4.0  2.2 2.0
!assign (resid 34   and name HG11  )(resid 34   and name HD1#  )     4.0  2.2 2.0
assign (resid 34   and name HG1#  )(resid 40   and name HA    )     4.0  2.2 2.0
assign (resid 34   and name HG12  )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HG11  )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HG1#  )(resid 41   and name HB    )     4.0  2.2 2.0
assign (resid 34   and name HG1#  )(resid 41   and name HG##  )     4.0  2.2 4.4
assign (resid 34   and name HG2#  )(resid 35   and name HD2   )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 35   and name HD1   )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 36   and name HA    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 38   and name HN    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 39   and name HN    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 39   and name HA2   )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 39   and name HA1   )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 40   and name HA    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 41   and name HN    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 41   and name HB    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 51   and name HA    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 52   and name HN    )     4.0  2.2 2.0
assign (resid 34   and name HG2#  )(resid 52   and name HB#   )     4.0  2.2 3.0
assign (resid 34   and name HG2#  )(resid 52   and name HD2#  )     4.0  2.2 3.0
assign (resid 34   and name HD1#  )(resid 40   and name HA    )     4.0  2.2 2.0
assign (resid 34   and name HD1#  )(resid 41   and name HG##  )     4.0  2.2 4.4
assign (resid 34   and name HD1#  )(resid 50   and name HB#   )     4.0  2.2 3.0
assign (resid 34   and name HD1#  )(resid 51   and name HA    )     4.0  2.2 2.0
assign (resid 34   and name HD1#  )(resid 52   and name HN    )     4.0  2.2 2.0
assign (resid 34   and name HD1#  )(resid 52   and name HA    )     4.0  2.2 2.0
assign (resid 34   and name HD1#  )(resid 52   and name HB2   )     4.0  2.2 2.0
assign (resid 34   and name HD1#  )(resid 52   and name HB1   )     4.0  2.2 2.0
assign (resid 34   and name HD1#  )(resid 52   and name HD1#  )     4.0  2.2 3.0
!P35
!assign (resid 35   and name HA    )(resid 35   and name HB2   )     4.0  2.2 1.0
!assign (resid 35   and name HA    )(resid 35   and name HB1   )     4.0  2.2 1.0
!assign (resid 35   and name HA    )(resid 35   and name HG2   )     4.0  2.2 1.0
!assign (resid 35   and name HA    )(resid 35   and name HG1   )     4.0  2.2 1.0
!assign (resid 35   and name HA    )(resid 35   and name HD2   )     4.0  2.2 1.0
!assign (resid 35   and name HA    )(resid 35   and name HD1   )     4.0  2.2 1.0
assign (resid 35   and name HA    )(resid 36   and name HN    )     2.5  0.7 0.4
assign (resid 35   and name HA    )(resid 36   and name HB#   )     4.0  2.2 2.0
assign (resid 35   and name HA    )(resid 37   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 HB2   )(resid 35   and name HG#   )     4.0  2.2 2.0
!assign (resid 35   and name HB1   )(resid 35   and name HG#   )     4.0  2.2 2.0
!assign (resid 35   and name HB#   )(resid 35   and name HD2   )     4.0  2.2 2.0
!assign (resid 35   and name HB#   )(resid 35   and name HD1   )     4.0  2.2 2.0
assign (resid 35   and name HB2   )(resid 36   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HB1   )(resid 36   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HB2   )(resid 37   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HB1   )(resid 37   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HB2   )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HB1   )(resid 38   and name HN    )     4.0  2.2 1.0
!assign (resid 35   and name HG2   )(resid 35   and name HD2   )     4.0  2.2 1.0
!assign (resid 35   and name HG2   )(resid 35   and name HD1   )     4.0  2.2 1.0
!assign (resid 35   and name HG1   )(resid 35   and name HD2   )     4.0  2.2 1.0
!assign (resid 35   and name HG1   )(resid 35   and name HD1   )     4.0  2.2 1.0
assign (resid 35   and name HG#   )(resid 38   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HG2   )(resid 38   and name HB    )     4.0  2.2 1.0
assign (resid 35   and name HG1   )(resid 38   and name HB    )     4.0  2.2 1.0
assign (resid 35   and name HG#   )(resid 39   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HG#   )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HD#   )(resid 38   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HD#   )(resid 38   and name HG2#  )     4.0  2.2 3.0
assign (resid 35   and name HD#   )(resid 39   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HD2   )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HD1   )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 35   and name HD#   )(resid 41   and name HA    )     4.0  2.2 2.0
assign (resid 35   and name HD2   )(resid 41   and name HB    )     4.0  2.2 1.0
assign (resid 35   and name HD1   )(resid 41   and name HB    )     4.0  2.2 1.0
assign (resid 35   and name HD2   )(resid 41   and name HG1#  )     4.0  2.2 2.0
assign (resid 35   and name HD2   )(resid 41   and name HG2#  )     4.0  2.2 2.0
assign (resid 35   and name HD1   )(resid 41   and name HG1#  )     4.0  2.2 2.0
assign (resid 35   and name HD1   )(resid 41   and name HG2#  )     4.0  2.2 2.0
!E36
assign (resid 36   and name HN    )(resid 36   and name HA    )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 36   and name HB#   )     3.0  1.2 1.5
assign (resid 36   and name HN    )(resid 36   and name HG2   )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 36   and name HG1   )     4.0  2.2 1.0
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 39   and name HN    )     4.0  2.2 1.0
!assign (resid 36   and name HA    )(resid 36   and name HB#   )     3.0  1.2 1.5
assign (resid 36   and name HA    )(resid 36   and name HG2   )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 36   and name HG1   )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 37   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 38   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 52   and name HD2#  )     4.0  2.2 2.0
!assign (resid 36   and name HB#   )(resid 36   and name HG2   )     4.0  2.2 2.0
!assign (resid 36   and name HB#   )(resid 36   and name HG1   )     4.0  2.2 2.0
assign (resid 36   and name HB#   )(resid 37   and name HN    )     3.0  1.2 1.5
!D37
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 HB#   )     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 HG2#  )     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 HB#   )     3.0  1.2 1.5
assign (resid 37   and name HA    )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 37   and name HB#   )(resid 38   and name HN    )     4.0  2.2 2.0
assign (resid 37   and name HB#   )(resid 38   and name HG2#  )     4.0  2.2 3.0
!T38
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 HB    )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 38   and name HG2#  )     4.0  2.2 2.0
assign (resid 38   and name HN    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 39   and name HA#   )     4.0  2.2 1.6
!assign (resid 38   and name HA    )(resid 38   and name HB    )     3.0  1.2 0.5
assign (resid 38   and name HA    )(resid 38   and name HG2#  )     4.0  2.2 1.6
assign (resid 38   and name HA    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HA    )(resid 40   and name HE1   )     4.0  2.2 1.0
!assign (resid 38   and name HB    )(resid 38   and name HG2#  )     4.0  2.2 2.0
assign (resid 38   and name HB    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HB    )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HB    )(resid 40   and name HE1   )     4.0  2.2 1.0
assign (resid 38   and name HB    )(resid 40   and name HD1   )     4.0  2.2 1.0
assign (resid 38   and name HG2#  )(resid 39   and name HN    )     4.0  2.2 2.0
assign (resid 38   and name HG2#  )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 38   and name HG2#  )(resid 40   and name HE1   )     4.0  2.2 2.0
!G39
assign (resid 39   and name HN    )(resid 39   and name HA2   )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 39   and name HA1   )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 57   and name HB#   )     4.0  2.2 2.0
assign (resid 39   and name HA2   )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HA1   )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HA#   )(resid 40   and name HA    )     4.0  2.2 1.6
assign (resid 39   and name HA#   )(resid 52   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HA2   )(resid 52   and name HB#   )     4.0  2.2 2.0
assign (resid 39   and name HA1   )(resid 52   and name HB#   )     4.0  2.2 2.0
assign (resid 39   and name HA2   )(resid 52   and name HD2#  )     4.0  2.2 2.0
assign (resid 39   and name HA1   )(resid 52   and name HD2#  )     4.0  2.2 2.0
assign (resid 39   and name HA#   )(resid 56   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HA2   )(resid 57   and name HB#   )     4.0  2.2 2.0
assign (resid 39   and name HA1   )(resid 57   and name HB#   )     4.0  2.2 2.0
!W40
assign (resid 40   and name HN    )(resid 40   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 40   and name HB2   )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 40   and name HB1   )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 40   and name HE1   )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 40   and name HD1   )     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 41   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 51   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 57   and name HB#   )     4.0  2.2 2.0
!assign (resid 40   and name HA    )(resid 40   and name HB2   )     4.0  2.2 1.0
!assign (resid 40   and name HA    )(resid 40   and name HB1   )     4.0  2.2 1.0
assign (resid 40   and name HA    )(resid 40   and name HD1   )     4.0  2.2 1.0
assign (resid 40   and name HA    )(resid 40   and name HE3   )     4.0  2.2 1.0
assign (resid 40   and name HA    )(resid 41   and name HN    )     3.0  1.2 0.5
assign (resid 40   and name HA    )(resid 41   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HA    )(resid 41   and name HB    )     4.0  2.2 1.0
assign (resid 40   and name HA    )(resid 41   and name HG##  )     4.0  2.2 3.4
assign (resid 40   and name HA    )(resid 51   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HA    )(resid 51   and name HG2#  )     4.0  2.2 2.0
assign (resid 40   and name HA    )(resid 52   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HB2   )(resid 40   and name HD1   )     4.0  2.2 1.0
assign (resid 40   and name HB1   )(resid 40   and name HD1   )     4.0  2.2 1.0
assign (resid 40   and name HB2   )(resid 40   and name HE3   )     4.0  2.2 1.0
assign (resid 40   and name HB1   )(resid 40   and name HE3   )     4.0  2.2 1.0
assign (resid 40   and name HB2   )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HB1   )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HB2   )(resid 49   and name HD#   )     4.0  2.2 2.0
assign (resid 40   and name HB1   )(resid 49   and name HD#   )     4.0  2.2 2.0
assign (resid 40   and name HB2   )(resid 49   and name HG#   )     4.0  2.2 2.0
assign (resid 40   and name HB1   )(resid 49   and name HG#   )     4.0  2.2 2.0
assign (resid 40   and name HB2   )(resid 51   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HB1   )(resid 51   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HB2   )(resid 51   and name HG1#  )     4.0  2.2 2.0
assign (resid 40   and name HB2   )(resid 51   and name HG2#  )     4.0  2.2 2.0
assign (resid 40   and name HB1   )(resid 51   and name HG2#  )     4.0  2.2 2.0
assign (resid 40   and name HB#   )(resid 52   and name HN    )     4.0  2.2 2.0
assign (resid 40   and name HB2   )(resid 57   and name HB#   )     4.0  2.2 2.0
assign (resid 40   and name HB1   )(resid 57   and name HB#   )     4.0  2.2 2.0
!assign (resid 40   and name HE1   )(resid 40   and name HZ2   )     4.0  2.2 1.0
assign (resid 40   and name HE1   )(resid 57   and name HB#   )     4.0  2.2 2.0
!assign (resid 40   and name HD1   )(resid 40   and name HE1   )     4.0  2.2 1.0
assign (resid 40   and name HD1   )(resid 57   and name HB#   )     4.0  2.2 2.0
!assign (resid 40   and name HZ2   )(resid 40   and name HH2   )     4.0  2.2 1.0
!assign (resid 40   and name HH2   )(resid 40   and name HZ3   )     4.0  2.2 1.0
assign (resid 40   and name HZ3   )(resid 41   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HZ3   )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HZ3   )(resid 42   and name HB2   )     4.0  2.2 1.0
assign (resid 40   and name HZ3   )(resid 42   and name HB1   )     4.0  2.2 1.0
assign (resid 40   and name HZ3   )(resid 42   and name HG#   )     4.0  2.2 2.0
assign (resid 40   and name HZ3   )(resid 49   and name HG#   )     4.0  2.2 2.0
assign (resid 40   and name HE3   )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HE3   )(resid 41   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HE3   )(resid 42   and name HB#   )     4.0  2.2 2.0
assign (resid 40   and name HE3   )(resid 49   and name HD#   )     4.0  2.2 2.0
assign (resid 40   and name HE3   )(resid 49   and name HG2   )     4.0  2.2 1.0
assign (resid 40   and name HE3   )(resid 49   and name HG1   )     4.0  2.2 1.0
assign (resid 40   and name HE3   )(resid 49   and name HE#   )     4.0  2.2 2.0
assign (resid 40   and name HE3   )(resid 51   and name HG2#  )     4.0  2.2 2.0
!V41
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 HB    )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HG1#  )     4.0  2.2 2.0
assign (resid 41   and name HN    )(resid 41   and name HG2#  )     4.0  2.2 2.0
assign (resid 41   and name HN    )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 49   and name HG2   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 49   and name HG1   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 50   and name HN    )     2.5  0.7 0.4
assign (resid 41   and name HN    )(resid 50   and name HB2   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 50   and name HB1   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 51   and name HA    )     4.0  2.2 1.0
!assign (resid 41   and name HA    )(resid 41   and name HB    )     4.0  2.2 1.0
assign (resid 41   and name HA    )(resid 41   and name HG1#  )     4.0  2.2 2.0
assign (resid 41   and name HA    )(resid 41   and name HG2#  )     4.0  2.2 2.0
assign (resid 41   and name HA    )(resid 42   and name HN    )     3.0  1.2 0.5
assign (resid 41   and name HA    )(resid 42   and name HA    )     4.0  2.2 1.0
assign (resid 41   and name HA    )(resid 42   and name HG#   )     4.0  2.2 2.0
!assign (resid 41   and name HB    )(resid 41   and name HG1#  )     4.0  2.2 2.0
!assign (resid 41   and name HB    )(resid 41   and name HG2#  )     4.0  2.2 2.0
assign (resid 41   and name HB    )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HG##  )(resid 42   and name HN    )     4.0  2.2 3.4
assign (resid 41   and name HG2#  )(resid 42   and name HN    )     4.0  2.2 2.0
assign (resid 41   and name HG##  )(resid 43   and name HA    )     4.0  2.2 3.4
assign (resid 41   and name HG##  )(resid 44   and name HD#   )     4.0  2.2 4.4
assign (resid 41   and name HG1#  )(resid 50   and name HN    )     4.0  2.2 2.0
assign (resid 41   and name HG##  )(resid 50   and name HN    )     4.0  2.2 3.4
assign (resid 41   and name HG##  )(resid 50   and name HB2   )     4.0  2.2 3.4
assign (resid 41   and name HG##  )(resid 50   and name HB1   )     4.0  2.2 3.4
assign (resid 41   and name HG##  )(resid 50   and name HD#   )     4.0  2.2 5.4
!E42
assign (resid 42   and name HN    )(resid 42   and name HA    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 42   and name HB2   )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 42   and name HB1   )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 42   and name HG2   )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 42   and name HG1   )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 43   and name HN    )     4.0  2.2 1.0
!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 2.0
assign (resid 42   and name HA    )(resid 43   and name HN    )     3.0  1.2 0.5
assign (resid 42   and name HA    )(resid 43   and name HA    )     4.0  2.2 1.0
assign (resid 42   and name HA    )(resid 49   and name HA    )     3.0  1.2 0.5
assign (resid 42   and name HA    )(resid 49   and name HB#   )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 49   and name HG#   )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 50   and name HN    )     4.0  2.2 1.0
!assign (resid 42   and name HB2   )(resid 42   and name HG#   )     4.0  2.2 2.0
!assign (resid 42   and name HB1   )(resid 42   and name HG#   )     4.0  2.2 2.0
assign (resid 42   and name HB2   )(resid 43   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HB1   )(resid 43   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HB#   )(resid 49   and name HB2   )     4.0  2.2 2.0
assign (resid 42   and name HB#   )(resid 49   and name HB1   )     4.0  2.2 2.0
assign (resid 42   and name HG#   )(resid 43   and name HN    )     4.0  2.2 2.0
!C43
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 HB2   )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 43   and name HB1   )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 44   and name HD#   )     4.0  2.2 2.0
assign (resid 43   and name HN    )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 48   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 48   and name HA    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 48   and name HB#   )     4.0  2.2 2.0
assign (resid 43   and name HN    )(resid 49   and name HA    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 43   and name HN    )(resid 50   and name HE#   )     4.0  2.2 3.0
!assign (resid 43   and name HA    )(resid 43   and name HB2   )     4.0  2.2 1.0
!assign (resid 43   and name HA    )(resid 43   and name HB1   )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 44   and name HG2   )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 44   and name HG1   )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 44   and name HD2   )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 44   and name HD1   )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB#   )(resid 44   and name HD2   )     4.0  2.2 2.0
assign (resid 43   and name HB#   )(resid 44   and name HD1   )     4.0  2.2 2.0
assign (resid 43   and name HB2   )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB1   )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB#   )(resid 46   and name HN    )     4.0  2.2 2.0
assign (resid 43   and name HB2   )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB1   )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB2   )(resid 48   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB1   )(resid 48   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HB#   )(resid 48   and name HB#   )     4.0  2.2 3.0
assign (resid 43   and name HB2   )(resid 50   and name HE#   )     4.0  2.2 3.0
assign (resid 43   and name HB1   )(resid 50   and name HE#   )     4.0  2.2 3.0
!P44
!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 HG2   )     4.0  2.2 1.0
!assign (resid 44   and name HA    )(resid 44   and name HG1   )     4.0  2.2 1.0
assign (resid 44   and name HA    )(resid 45   and name HN    )     4.0  2.2 1.0
!assign (resid 44   and name HB2   )(resid 44   and name HG2   )     4.0  2.2 1.0
!assign (resid 44   and name HB2   )(resid 44   and name HG1   )     4.0  2.2 1.0
!assign (resid 44   and name HB1   )(resid 44   and name HG2   )     4.0  2.2 1.0
!assign (resid 44   and name HB1   )(resid 44   and name HG1   )     4.0  2.2 1.0
!assign (resid 44   and name HB2   )(resid 44   and name HD2   )     4.0  2.2 1.0
!assign (resid 44   and name HB2   )(resid 44   and name HD1   )     4.0  2.2 1.0
!assign (resid 44   and name HB1   )(resid 44   and name HD2   )     4.0  2.2 1.0
!assign (resid 44   and name HB1   )(resid 44   and name HD1   )     4.0  2.2 1.0
assign (resid 44   and name HB#   )(resid 45   and name HN    )     4.0  2.2 2.0
assign (resid 44   and name HB#   )(resid 45   and name HE#   )     4.0  2.2 4.0
!assign (resid 44   and name HG2   )(resid 44   and name HD2   )     4.0  2.2 1.0
!assign (resid 44   and name HG2   )(resid 44   and name HD1   )     4.0  2.2 1.0
!assign (resid 44   and name HG1   )(resid 44   and name HD2   )     4.0  2.2 1.0
!assign (resid 44   and name HG1   )(resid 44   and name HD1   )     4.0  2.2 1.0
assign (resid 44   and name HG#   )(resid 45   and name HN    )     4.0  2.2 2.0
assign (resid 44   and name HG2   )(resid 45   and name HD#   )     4.0  2.2 3.0
assign (resid 44   and name HG1   )(resid 45   and name HD#   )     4.0  2.2 3.0
assign (resid 44   and name HG2   )(resid 45   and name HE#   )     4.0  2.2 3.0
assign (resid 44   and name HG1   )(resid 45   and name HE#   )     4.0  2.2 3.0
assign (resid 44   and name HD2   )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HD1   )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HD#   )(resid 45   and name HD#   )     4.0  2.2 4.0
!Y45
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 45   and name HD#   )     4.0  2.2 3.0
assign (resid 45   and name HN    )(resid 45   and name HE#   )     4.0  2.2 3.0
assign (resid 45   and name HN    )(resid 46   and name HN    )     3.0  1.2 0.5
assign (resid 45   and name HN    )(resid 47   and name HN    )     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 45   and name HD#   )     4.0  2.2 2.0
assign (resid 45   and name HA    )(resid 45   and name HE#   )     4.0  2.2 2.0
assign (resid 45   and name HA    )(resid 46   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HB2   )(resid 45   and name HD#   )     4.0  2.2 3.0
assign (resid 45   and name HB1   )(resid 45   and name HD#   )     4.0  2.2 3.0
assign (resid 45   and name HB2   )(resid 45   and name HE#   )     4.0  2.2 3.0
assign (resid 45   and name HB1   )(resid 45   and name HE#   )     4.0  2.2 3.0
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
!C46
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   )     4.0  2.2 1.0
assign (resid 46   and name HN    )(resid 46   and name HB1   )     4.0  2.2 1.0
assign (resid 46   and name HN    )(resid 47   and name HN    )     3.0  1.2 0.5
assign (resid 46   and name HN    )(resid 47   and name HA    )     4.0  2.2 1.0
!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 47   and name HN    )     4.0  2.2 1.0
assign (resid 46   and name HA    )(resid 47   and name HB#   )     4.0  2.2 2.0
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
!D47
assign (resid 47   and name HN    )(resid 47   and name HA    )     3.0  1.2 0.5
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 HN    )     3.0  1.2 0.5
!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 HN    )     4.0  2.2 1.0
assign (resid 47   and name HA    )(resid 48   and name HA    )     4.0  2.2 1.0
assign (resid 47   and name HB#   )(resid 48   and name HN    )     4.0  2.2 2.0
!C48
assign (resid 48   and name HN    )(resid 48   and name HA    )     4.0  2.2 1.0
assign (resid 48   and name HN    )(resid 48   and name HB2   )     4.0  2.2 1.0
assign (resid 48   and name HN    )(resid 48   and name HB1   )     4.0  2.2 1.0
!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 49   and name HN    )     2.5  0.7 0.4
assign (resid 48   and name HB2   )(resid 49   and name HN    )     4.0  2.2 1.0
assign (resid 48   and name HB1   )(resid 49   and name HN    )     4.0  2.2 1.0
assign (resid 48   and name HB2   )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 48   and name HB1   )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 48   and name HB2   )(resid 50   and name HE#   )     4.0  2.2 3.0
assign (resid 48   and name HB1   )(resid 50   and name HE#   )     4.0  2.2 3.0
!K49
assign (resid 49   and name HN    )(resid 49   and name HA    )     4.0  2.2 1.0
assign (resid 49   and name HN    )(resid 49   and name HB2   )     4.0  2.2 1.0
assign (resid 49   and name HN    )(resid 49   and name HB1   )     4.0  2.2 1.0
assign (resid 49   and name HN    )(resid 49   and name HG2   )     4.0  2.2 1.0
assign (resid 49   and name HN    )(resid 49   and name HG1   )     4.0  2.2 1.0
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   )     4.0  2.2 1.0
!assign (resid 49   and name HA    )(resid 49   and name HB1   )     4.0  2.2 1.0
assign (resid 49   and name HA    )(resid 49   and name HD#   )     4.0  2.2 2.0
assign (resid 49   and name HA    )(resid 49   and name HG2   )     4.0  2.2 1.0
assign (resid 49   and name HA    )(resid 49   and name HG1   )     4.0  2.2 1.0
assign (resid 49   and name HA    )(resid 50   and name HN    )     3.0  1.2 0.5
assign (resid 49   and name HA    )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 49   and name HB2   )(resid 49   and name HD#   )     4.0  2.2 2.0
assign (resid 49   and name HB1   )(resid 49   and name HD#   )     4.0  2.2 2.0
!assign (resid 49   and name HB2   )(resid 49   and name HG2   )     4.0  2.2 1.0
!assign (resid 49   and name HB2   )(resid 49   and name HG1   )     4.0  2.2 1.0
!assign (resid 49   and name HB1   )(resid 49   and name HG2   )     4.0  2.2 1.0
!assign (resid 49   and name HB1   )(resid 49   and name HG1   )     4.0  2.2 1.0
assign (resid 49   and name HB2   )(resid 50   and name HN    )     4.0  2.2 1.0
assign (resid 49   and name HB1   )(resid 50   and name HN    )     4.0  2.2 1.0
!assign (resid 49   and name HD#   )(resid 49   and name HE#   )     4.0  2.2 3.0
assign (resid 49   and name HD#   )(resid 50   and name HN    )     4.0  2.2 2.0
assign (resid 49   and name HD#   )(resid 51   and name HG2#  )     4.0  2.2 3.0
!assign (resid 49   and name HG2   )(resid 49   and name HD#   )     4.0  2.2 2.0
!assign (resid 49   and name HG1   )(resid 49   and name HD#   )     4.0  2.2 2.0
assign (resid 49   and name HG2   )(resid 49   and name HE#   )     4.0  2.2 2.0
assign (resid 49   and name HG1   )(resid 49   and name HE#   )     4.0  2.2 2.0
assign (resid 49   and name HG2   )(resid 50   and name HN    )     4.0  2.2 1.0
assign (resid 49   and name HG1   )(resid 50   and name HN    )     4.0  2.2 1.0
assign (resid 49   and name HG#   )(resid 51   and name HG2#  )     4.0  2.2 3.0
assign (resid 49   and name HE#   )(resid 51   and name HG2#  )     4.0  2.2 3.0
!Y50
assign (resid 50   and name HN    )(resid 50   and name HA    )     4.0  2.2 1.0
assign (resid 50   and name HN    )(resid 50   and name HB2   )     4.0  2.2 1.0
assign (resid 50   and name HN    )(resid 50   and name HB1   )     4.0  2.2 1.0
assign (resid 50   and name HN    )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 50   and name HN    )(resid 50   and name HE#   )     4.0  2.2 3.0
assign (resid 50   and name HN    )(resid 51   and name HN    )     4.0  2.2 1.0
!assign (resid 50   and name HA    )(resid 50   and name HB2   )     4.0  2.2 1.0
!assign (resid 50   and name HA    )(resid 50   and name HB1   )     4.0  2.2 1.0
assign (resid 50   and name HA    )(resid 50   and name HD#   )     4.0  2.2 2.0
assign (resid 50   and name HA    )(resid 51   and name HN    )     2.5  0.7 0.4
assign (resid 50   and name HA    )(resid 51   and name HB    )     4.0  2.2 1.0
assign (resid 50   and name HB2   )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 50   and name HB1   )(resid 50   and name HD#   )     4.0  2.2 3.0
assign (resid 50   and name HB#   )(resid 50   and name HE#   )     4.0  2.2 4.0
assign (resid 50   and name HB2   )(resid 51   and name HN    )     4.0  2.2 1.0
assign (resid 50   and name HB1   )(resid 51   and name HN    )     4.0  2.2 1.0
!assign (resid 50   and name HD#   )(resid 50   and name HE#   )     4.0  2.2 5.0
!V51
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 HB    )     4.0  2.2 1.0
assign (resid 51   and name HN    )(resid 51   and name HG1#  )     4.0  2.2 2.0
assign (resid 51   and name HN    )(resid 51   and name HG2#  )     4.0  2.2 2.0
!assign (resid 51   and name HA    )(resid 51   and name HB    )     4.0  2.2 1.0
assign (resid 51   and name HA    )(resid 51   and name HG1#  )     4.0  2.2 2.0
assign (resid 51   and name HA    )(resid 51   and name HG2#  )     4.0  2.2 2.0
assign (resid 51   and name HA    )(resid 52   and name HN    )     2.5  0.7 0.4
assign (resid 51   and name HA    )(resid 52   and name HB2   )     4.0  2.2 1.0
assign (resid 51   and name HA    )(resid 52   and name HB1   )     4.0  2.2 1.0
assign (resid 51   and name HA    )(resid 57   and name HB#   )     4.0  2.2 2.0
!assign (resid 51   and name HB    )(resid 51   and name HG1#  )     4.0  2.2 2.0
!assign (resid 51   and name HB    )(resid 51   and name HG2#  )     4.0  2.2 2.0
assign (resid 51   and name HB    )(resid 52   and name HN    )     4.0  2.2 1.0
assign (resid 51   and name HG1#  )(resid 52   and name HN    )     4.0  2.2 2.0
assign (resid 51   and name HG1#  )(resid 57   and name HN    )     4.0  2.2 2.0
assign (resid 51   and name HG1#  )(resid 57   and name HA    )     4.0  2.2 2.0
assign (resid 51   and name HG1#  )(resid 57   and name HB#   )     4.0  2.2 3.0
assign (resid 51   and name HG2#  )(resid 57   and name HB#   )     4.0  2.2 3.0
assign (resid 51   and name HG1#  )(resid 58   and name HN    )     4.0  2.2 2.0
assign (resid 51   and name HG1#  )(resid 58   and name HA    )     4.0  2.2 2.0
assign (resid 51   and name HG1#  )(resid 58   and name HB2   )     4.0  2.2 2.0
assign (resid 51   and name HG1#  )(resid 58   and name HB1   )     4.0  2.2 2.0
!L52
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 HB2   )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 52   and name HB1   )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 52   and name HG    )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 53   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HN    )(resid 57   and name HB#   )     4.0  2.2 2.0
!assign (resid 52   and name HA    )(resid 52   and name HB2   )     4.0  2.2 1.0
!assign (resid 52   and name HA    )(resid 52   and name HB1   )     4.0  2.2 1.0
assign (resid 52   and name HA    )(resid 52   and name HG    )     4.0  2.2 1.0
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    )     3.0  1.2 0.5
assign (resid 52   and name HA    )(resid 53   and name HA    )     4.0  2.2 1.0
assign (resid 52   and name HA    )(resid 53   and name HB#   )     4.0  2.2 2.0
!assign (resid 52   and name HB2   )(resid 52   and name HG    )     4.0  2.2 1.0
!assign (resid 52   and name HB1   )(resid 52   and name HG    )     4.0  2.2 1.0
assign (resid 52   and name HB2   )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 52   and name HB2   )(resid 52   and name HD2#  )     4.0  2.2 2.0
assign (resid 52   and name HB1   )(resid 52   and name HD1#  )     4.0  2.2 2.0
assign (resid 52   and name HB1   )(resid 52   and name HD2#  )     4.0  2.2 2.0
assign (resid 52   and name HB2   )(resid 53   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HB1   )(resid 53   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HB#   )(resid 55   and name HN    )     4.0  2.2 2.0
assign (resid 52   and name HB2   )(resid 55   and name HB#   )     4.0  2.2 2.0
assign (resid 52   and name HB1   )(resid 55   and name HB#   )     4.0  2.2 2.0
!assign (resid 52   and name HG    )(resid 52   and name HD1#  )     4.0  2.2 2.0
!assign (resid 52   and name HG    )(resid 52   and name HD2#  )     4.0  2.2 2.0
assign (resid 52   and name HG    )(resid 53   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HG    )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HG    )(resid 55   and name HB2   )     4.0  2.2 1.0
assign (resid 52   and name HG    )(resid 55   and name HB1   )     4.0  2.2 1.0
!assign (resid 52   and name HD1#  )(resid 52   and name HD2#  )     4.0  2.2 3.0
assign (resid 52   and name HD1#  )(resid 53   and name HN    )     4.0  2.2 2.0
assign (resid 52   and name HD2#  )(resid 55   and name HN    )     4.0  2.2 2.0
assign (resid 52   and name HD2#  )(resid 55   and name HA    )     4.0  2.2 2.0
assign (resid 52   and name HD2#  )(resid 55   and name HB2   )     4.0  2.2 2.0
assign (resid 52   and name HD2#  )(resid 55   and name HB1   )     4.0  2.2 2.0
!K53
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 HD#   )     4.0  2.2 2.0
assign (resid 53   and name HN    )(resid 53   and name HG2   )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 53   and name HG1   )     4.0  2.2 1.0
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 HG2   )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 53   and name HG1   )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 54   and name HN    )     3.0  1.2 0.5
assign (resid 53   and name HA    )(resid 54   and name HA2   )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 54   and name HA1   )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 58   and name HB2   )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 58   and name HB1   )     4.0  2.2 1.0
assign (resid 53   and name HB2   )(resid 53   and name HD#   )     4.0  2.2 2.0
assign (resid 53   and name HB1   )(resid 53   and name HD#   )     4.0  2.2 2.0
!assign (resid 53   and name HB2   )(resid 53   and name HG#   )     4.0  2.2 2.0
!assign (resid 53   and name HB1   )(resid 53   and name HG#   )     4.0  2.2 2.0
assign (resid 53   and name HB#   )(resid 53   and name HE#   )     4.0  2.2 3.0
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 HG2   )(resid 53   and name HE#   )     4.0  2.2 2.0
assign (resid 53   and name HG1   )(resid 53   and name HE#   )     4.0  2.2 2.0
assign (resid 53   and name HG2   )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HG1   )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HG#   )(resid 54   and name HA#   )     4.0  2.2 2.6
!G54
assign (resid 54   and name HN    )(resid 54   and name HA2   )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 54   and name HA1   )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 58   and name HB2   )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 58   and name HB1   )     4.0  2.2 1.0
assign (resid 54   and name HA2   )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HA1   )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HA#   )(resid 55   and name HA    )     4.0  2.2 1.6
assign (resid 54   and name HA2   )(resid 58   and name HB#   )     4.0  2.2 2.0
assign (resid 54   and name HA1   )(resid 58   and name HB#   )     4.0  2.2 2.0
!S55
assign (resid 55   and name HN    )(resid 55   and name HA    )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 55   and name HB2   )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 55   and name HB1   )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 56   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 58   and name HB2   )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 58   and name HB1   )     4.0  2.2 1.0
!assign (resid 55   and name HA    )(resid 55   and name HB2   )     4.0  2.2 1.0
!assign (resid 55   and name HA    )(resid 55   and name HB1   )     4.0  2.2 1.0
assign (resid 55   and name HA    )(resid 56   and name HN    )     3.0  1.2 0.5
assign (resid 55   and name HA    )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HB2   )(resid 56   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HB1   )(resid 56   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HB2   )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HB1   )(resid 57   and name HN    )     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 HG2   )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 56   and name HG1   )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 57   and name HN    )     3.0  1.2 0.5
!assign (resid 56   and name HA    )(resid 56   and name HB#   )     3.0  1.2 1.5
assign (resid 56   and name HA    )(resid 56   and name HG#   )     4.0  2.2 2.0
assign (resid 56   and name HA    )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 57   and name HA    )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 59   and name HB#   )     4.0  2.2 2.0
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 HG#   )     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 HN    )     4.0  2.2 2.0
assign (resid 56   and name HG2   )(resid 56   and name HE#   )     4.0  2.2 2.0
assign (resid 56   and name HG1   )(resid 56   and name HE#   )     4.0  2.2 2.0
assign (resid 56   and name HG2   )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HG1   )(resid 57   and name HN    )     4.0  2.2 1.0
!A57
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 1.6
assign (resid 57   and name HN    )(resid 58   and name HN    )     2.5  0.7 0.4
assign (resid 57   and name HN    )(resid 58   and name HB2   )     4.0  2.2 1.0
assign (resid 57   and name HN    )(resid 58   and name HB1   )     4.0  2.2 1.0
!assign (resid 57   and name HA    )(resid 57   and name HB#   )     4.0  2.2 1.2
assign (resid 57   and name HA    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 57   and name HB#   )(resid 58   and name HN    )     4.0  2.2 2.0
assign (resid 57   and name HB#   )(resid 58   and name HA    )     4.0  2.2 2.0
!D58
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 HB2   )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 58   and name HB1   )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 59   and name HN    )     4.0  2.2 1.0
!assign (resid 58   and name HA    )(resid 58   and name HB2   )     4.0  2.2 1.0
!assign (resid 58   and name HA    )(resid 58   and name HB1   )     4.0  2.2 1.0
assign (resid 58   and name HA    )(resid 59   and name HN    )     3.0  1.2 0.5
assign (resid 58   and name HB2   )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HB1   )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HB#   )(resid 60   and name HN    )     4.0  2.2 2.0
!A59
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 1.6
assign (resid 59   and name HN    )(resid 60   and name HN    )     3.0  1.2 0.5
assign (resid 59   and name HN    )(resid 60   and name HG    )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 60   and name HD1#  )     4.0  2.2 2.0
!assign (resid 59   and name HA    )(resid 59   and name HB#   )     4.0  2.2 1.2
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 HD1#  )     4.0  2.2 2.0
assign (resid 59   and name HB#   )(resid 60   and name HN    )     4.0  2.2 2.0
!L60
assign (resid 60   and name HN    )(resid 60   and name HA    )     3.0  1.2 0.5
assign (resid 60   and name HN    )(resid 60   and name HB2   )     4.0  2.2 1.0
assign (resid 60   and name HN    )(resid 60   and name HB1   )     4.0  2.2 1.0
assign (resid 60   and name HN    )(resid 60   and name HG    )     4.0  2.2 1.0
assign (resid 60   and name HN    )(resid 60   and name HD1#  )     4.0  2.2 2.0
!assign (resid 60   and name HA    )(resid 60   and name HB2   )     4.0  2.2 1.0
!assign (resid 60   and name HA    )(resid 60   and name HB1   )     4.0  2.2 1.0
assign (resid 60   and name HA    )(resid 60   and name HG    )     4.0  2.2 1.0
assign (resid 60   and name HA    )(resid 60   and name HD1#  )     4.0  2.2 2.0
assign (resid 60   and name HA    )(resid 60   and name HD2#  )     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 61   and name HB#   )     4.0  2.2 2.0
!assign (resid 60   and name HB2   )(resid 60   and name HG    )     4.0  2.2 1.0
!assign (resid 60   and name HB1   )(resid 60   and name HG    )     4.0  2.2 1.0
assign (resid 60   and name HB2   )(resid 60   and name HD1#  )     4.0  2.2 2.0
assign (resid 60   and name HB2   )(resid 60   and name HD2#  )     4.0  2.2 2.0
assign (resid 60   and name HB1   )(resid 60   and name HD1#  )     4.0  2.2 2.0
assign (resid 60   and name HB1   )(resid 60   and name HD2#  )     4.0  2.2 2.0
assign (resid 60   and name HB2   )(resid 61   and name HN    )     4.0  2.2 1.0
assign (resid 60   and name HB1   )(resid 61   and name HN    )     4.0  2.2 1.0
assign (resid 60   and name HB#   )(resid 61   and name HA    )     4.0  2.2 2.0
!assign (resid 60   and name HG    )(resid 60   and name HD1#  )     4.0  2.2 2.0
!assign (resid 60   and name HG    )(resid 60   and name HD2#  )     4.0  2.2 2.0
!assign (resid 60   and name HD1#  )(resid 60   and name HD2#  )     4.0  2.2 3.0
assign (resid 60   and name HD1#  )(resid 61   and name HG#   )     4.0  2.2 3.0
!E61
assign (resid 61   and name HN    )(resid 61   and name HA    )     4.0  2.2 1.0
assign (resid 61   and name HN    )(resid 61   and name HB#   )     3.0  1.2 1.5
assign (resid 61   and name HN    )(resid 61   and name HG#   )     4.0  2.2 2.0
!assign (resid 61   and name HA    )(resid 61   and name HB#   )     4.0  2.2 2.0
assign (resid 61   and name HA    )(resid 61   and name HG#   )     4.0  2.2 2.0
assign (resid 61   and name HA    )(resid 62   and name HN    )     4.0  2.2 1.0
!assign (resid 61   and name HB#   )(resid 61   and name HG#   )     4.0  2.2 3.0
assign (resid 61   and name HB#   )(resid 62   and name HN    )     4.0  2.2 2.0
assign (resid 61   and name HB#   )(resid 62   and name HB#   )     4.0  2.2 3.0
assign (resid 61   and name HG#   )(resid 62   and name HN    )     4.0  2.2 2.0
!H62
assign (resid 62   and name HN    )(resid 62   and name HB2   )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 62   and name HB1   )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 63   and name HA    )     4.0  2.2 1.0
!assign (resid 62   and name HA    )(resid 62   and name HB2   )     4.0  2.2 1.0
!assign (resid 62   and name HA    )(resid 62   and name HB1   )     4.0  2.2 1.0
assign (resid 62   and name HA    )(resid 63   and name HN    )     3.0  1.2 0.5
assign (resid 62   and name HB#   )(resid 63   and name HN    )     4.0  2.2 2.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -23.228  -1.119  -0.341
    2   2H    MET   1          2H        MET   1 -21.868  -2.011   0.109
    3   3H    MET   1          3H        MET   1 -21.945  -0.359   0.449
    4    HA   MET   1           HA       MET   1 -23.760  -0.692   1.975
    5   1HB   MET   1          2HB       MET   1 -23.390  -3.623   1.297
    6   2HB   MET   1          1HB       MET   1 -24.417  -3.012   2.590
    7   1HG   MET   1          2HG       MET   1 -25.689  -3.609   0.582
    8   2HG   MET   1          1HG       MET   1 -25.841  -1.896   0.980
    9   1HE   MET   1          1HE       MET   1 -26.809  -1.425  -1.455
   10   2HE   MET   1          2HE       MET   1 -26.648  -3.135  -1.859
   11   3HE   MET   1          3HE       MET   1 -25.992  -1.906  -2.940
   12    H    THR   2           H        THR   2 -20.918  -2.794   1.586
   13    HA   THR   2           HA       THR   2 -20.403  -3.038   4.398
   14    HB   THR   2           HB       THR   2 -18.217  -4.049   3.650
   15    HG1  THR   2           HG1      THR   2 -18.598  -4.472   1.131
   16   1HG2  THR   2          1HG2      THR   2 -20.700  -5.160   2.313
   17   2HG2  THR   2          2HG2      THR   2 -20.198  -5.472   3.976
   18   3HG2  THR   2          3HG2      THR   2 -19.213  -6.052   2.634
   19    H    ILE   3           H        ILE   3 -20.018  -0.445   2.457
   20    HA   ILE   3           HA       ILE   3 -18.596   1.247   2.139
   21    HB   ILE   3           HB       ILE   3 -17.833   2.467   4.149
   22   1HG1  ILE   3          2HG1      ILE   3 -18.800   1.572   6.384
   23   2HG1  ILE   3          1HG1      ILE   3 -18.785  -0.004   5.609
   24   1HG2  ILE   3          1HG2      ILE   3 -20.677   1.473   4.245
   25   2HG2  ILE   3          2HG2      ILE   3 -20.062   2.792   3.249
   26   3HG2  ILE   3          3HG2      ILE   3 -20.073   2.944   5.005
   27   1HD1  ILE   3          1HD1      ILE   3 -16.372   0.173   5.302
   28   2HD1  ILE   3          2HD1      ILE   3 -16.822   0.339   6.998
   29   3HD1  ILE   3          3HD1      ILE   3 -16.390   1.766   6.057
   30    H    GLN   4           H        GLN   4 -17.350  -1.547   2.313
   31    HA   GLN   4           HA       GLN   4 -15.359  -2.538   1.992
   32   1HB   GLN   4          2HB       GLN   4 -14.578   0.240   1.066
   33   2HB   GLN   4          1HB       GLN   4 -13.722  -1.247   0.674
   34   1HG   GLN   4          2HG       GLN   4 -15.666  -2.078  -0.533
   35   2HG   GLN   4          1HG       GLN   4 -16.582  -0.641  -0.085
   36   1HE2  GLN   4          1HE2      GLN   4 -13.215  -0.609  -1.041
   37   2HE2  GLN   4          2HE2      GLN   4 -13.457   0.232  -2.525
   38    H    ALA   5           H        ALA   5 -12.679  -1.669   2.212
   39    HA   ALA   5           HA       ALA   5 -12.355  -0.602   4.910
   40   1HB   ALA   5          1HB       ALA   5 -12.775  -2.988   5.288
   41   2HB   ALA   5          2HB       ALA   5 -11.136  -2.530   5.756
   42   3HB   ALA   5          3HB       ALA   5 -11.413  -3.390   4.241
   43    HA   PRO   6           HA       PRO   6  -8.808   0.745   2.228
   44   1HB   PRO   6          2HB       PRO   6  -8.967   3.051   4.101
   45   2HB   PRO   6          1HB       PRO   6  -8.878   3.037   2.335
   46   1HG   PRO   6          2HG       PRO   6 -11.158   3.657   3.583
   47   2HG   PRO   6          1HG       PRO   6 -11.162   2.707   2.087
   48   1HD   PRO   6          2HD       PRO   6 -11.475   1.767   4.924
   49   2HD   PRO   6          1HD       PRO   6 -12.368   1.272   3.470
   50    H    GLU   7           H        GLU   7  -7.642  -0.999   3.241
   51    HA   GLU   7           HA       GLU   7  -6.557  -0.596   5.909
   52   1HB   GLU   7          2HB       GLU   7  -7.335  -2.811   5.282
   53   2HB   GLU   7          1HB       GLU   7  -6.232  -2.846   3.914
   54   1HG   GLU   7          2HG       GLU   7  -4.331  -2.965   5.358
   55   2HG   GLU   7          1HG       GLU   7  -5.327  -2.671   6.782
   56    H    THR   8           H        THR   8  -5.076   1.059   5.830
   57    HA   THR   8           HA       THR   8  -3.040   1.266   3.816
   58    HB   THR   8           HB       THR   8  -3.169   2.648   6.516
   59    HG1  THR   8           HG1      THR   8  -3.888   4.427   4.986
   60   1HG2  THR   8          1HG2      THR   8  -1.603   3.330   4.017
   61   2HG2  THR   8          2HG2      THR   8  -0.932   2.731   5.535
   62   3HG2  THR   8          3HG2      THR   8  -1.690   4.320   5.475
   63    H    LYS   9           H        LYS   9  -1.080   0.301   3.760
   64    HA   LYS   9           HA       LYS   9   0.150  -0.629   6.259
   65   1HB   LYS   9          2HB       LYS   9  -0.572  -2.373   3.915
   66   2HB   LYS   9          1HB       LYS   9   0.795  -2.785   4.943
   67   1HG   LYS   9          2HG       LYS   9  -0.643  -2.927   6.881
   68   2HG   LYS   9          1HG       LYS   9  -2.027  -2.377   5.936
   69   1HD   LYS   9          2HD       LYS   9  -2.057  -4.391   4.657
   70   2HD   LYS   9          1HD       LYS   9  -0.490  -4.896   5.292
   71   1HE   LYS   9          2HE       LYS   9  -1.414  -5.242   7.480
   72   2HE   LYS   9          1HE       LYS   9  -2.953  -4.528   7.000
   73   1HZ   LYS   9          1HZ       LYS   9  -1.828  -7.005   5.820
   74   2HZ   LYS   9          2HZ       LYS   9  -3.373  -6.361   5.561
   75   3HZ   LYS   9          3HZ       LYS   9  -2.957  -6.980   7.079
   76    H    ILE  10           H        ILE  10   2.200  -0.036   6.362
   77    HA   ILE  10           HA       ILE  10   3.494   1.056   3.988
   78    HB   ILE  10           HB       ILE  10   4.329   1.101   6.901
   79   1HG1  ILE  10          2HG1      ILE  10   3.916   3.602   6.583
   80   2HG1  ILE  10          1HG1      ILE  10   3.148   3.194   5.051
   81   1HG2  ILE  10          1HG2      ILE  10   6.313   1.088   5.494
   82   2HG2  ILE  10          2HG2      ILE  10   6.088   2.681   6.213
   83   3HG2  ILE  10          3HG2      ILE  10   5.660   2.410   4.523
   84   1HD1  ILE  10          1HD1      ILE  10   1.465   1.899   6.233
   85   2HD1  ILE  10          2HD1      ILE  10   1.527   3.554   6.835
   86   3HD1  ILE  10          3HD1      ILE  10   2.257   2.248   7.769
   87    H    VAL  11           H        VAL  11   4.849  -0.125   2.782
   88    HA   VAL  11           HA       VAL  11   6.032  -2.568   3.952
   89    HB   VAL  11           HB       VAL  11   5.783  -1.931   1.010
   90   1HG1  VAL  11          1HG1      VAL  11   6.261  -4.525   2.480
   91   2HG1  VAL  11          2HG1      VAL  11   7.426  -3.634   1.500
   92   3HG1  VAL  11          3HG1      VAL  11   6.018  -4.374   0.739
   93   1HG2  VAL  11          1HG2      VAL  11   3.779  -3.337   0.959
   94   2HG2  VAL  11          2HG2      VAL  11   3.543  -1.934   2.004
   95   3HG2  VAL  11          3HG2      VAL  11   3.854  -3.519   2.712
   96    H    ASP  12           H        ASP  12   8.218  -3.142   3.350
   97    HA   ASP  12           HA       ASP  12   9.976  -0.852   3.487
   98   1HB   ASP  12          2HB       ASP  12  10.255  -2.954   4.860
   99   2HB   ASP  12          1HB       ASP  12  10.722  -3.786   3.380
  100    H    LYS  13           H        LYS  13   9.242  -3.429   1.194
  101    HA   LYS  13           HA       LYS  13  10.998  -2.187  -0.803
  102   1HB   LYS  13          2HB       LYS  13   9.801  -4.931  -0.562
  103   2HB   LYS  13          1HB       LYS  13  10.281  -4.327  -2.142
  104   1HG   LYS  13          2HG       LYS  13  12.051  -5.664  -1.212
  105   2HG   LYS  13          1HG       LYS  13  12.569  -3.982  -1.293
  106   1HD   LYS  13          2HD       LYS  13  12.036  -3.732   1.110
  107   2HD   LYS  13          1HD       LYS  13  11.594  -5.439   1.170
  108   1HE   LYS  13          2HE       LYS  13  13.886  -6.042   0.509
  109   2HE   LYS  13          1HE       LYS  13  14.321  -4.333   0.468
  110   1HZ   LYS  13          1HZ       LYS  13  15.010  -5.363   2.528
  111   2HZ   LYS  13          2HZ       LYS  13  13.424  -5.837   2.866
  112   3HZ   LYS  13          3HZ       LYS  13  13.825  -4.196   2.830
  113    H    SER  14           H        SER  14  10.152  -2.085  -3.070
  114    HA   SER  14           HA       SER  14   7.656  -0.634  -3.032
  115   1HB   SER  14          2HB       SER  14   9.521  -1.224  -5.342
  116   2HB   SER  14          1HB       SER  14   8.166  -0.092  -5.379
  117    HG   SER  14           HG       SER  14  10.218   0.916  -4.967
  118    H    ARG  15           H        ARG  15   8.782  -3.680  -4.541
  119    HA   ARG  15           HA       ARG  15   6.105  -4.130  -5.598
  120   1HB   ARG  15          2HB       ARG  15   6.950  -6.111  -6.644
  121   2HB   ARG  15          1HB       ARG  15   8.109  -4.818  -6.899
  122   1HG   ARG  15          2HG       ARG  15   9.506  -5.746  -5.090
  123   2HG   ARG  15          1HG       ARG  15   8.356  -7.071  -4.914
  124   1HD   ARG  15          2HD       ARG  15   8.748  -7.592  -7.355
  125   2HD   ARG  15          1HD       ARG  15  10.074  -6.429  -7.311
  126    HE   ARG  15           HE       ARG  15   9.970  -8.963  -5.802
  127   1HH1  ARG  15          1HH1      ARG  15  11.774  -6.369  -7.193
  128   2HH1  ARG  15          2HH1      ARG  15  13.294  -7.133  -6.891
  129   1HH2  ARG  15          1HH2      ARG  15  11.922  -9.942  -5.475
  130   2HH2  ARG  15          2HH2      ARG  15  13.380  -9.125  -5.937
  131    H    VAL  16           H        VAL  16   4.524  -5.046  -4.506
  132    HA   VAL  16           HA       VAL  16   5.171  -6.416  -1.967
  133    HB   VAL  16           HB       VAL  16   2.623  -4.933  -2.661
  134   1HG1  VAL  16          1HG1      VAL  16   2.295  -6.666  -0.983
  135   2HG1  VAL  16          2HG1      VAL  16   2.170  -5.068  -0.247
  136   3HG1  VAL  16          3HG1      VAL  16   3.634  -6.027  -0.032
  137   1HG2  VAL  16          1HG2      VAL  16   3.438  -3.148  -1.186
  138   2HG2  VAL  16          2HG2      VAL  16   4.506  -3.380  -2.571
  139   3HG2  VAL  16          3HG2      VAL  16   4.967  -4.009  -0.990
  140    H    ALA  17           H        ALA  17   4.649  -8.502  -1.810
  141    HA   ALA  17           HA       ALA  17   3.032  -9.817  -3.795
  142   1HB   ALA  17          1HB       ALA  17   3.556 -11.868  -2.612
  143   2HB   ALA  17          2HB       ALA  17   4.189 -10.949  -1.244
  144   3HB   ALA  17          3HB       ALA  17   5.016 -10.896  -2.799
  145    H    CYS  18           H        CYS  18   1.003  -8.718  -3.478
  146    HA   CYS  18           HA       CYS  18  -0.389  -9.038  -0.948
  147   1HB   CYS  18          2HB       CYS  18  -0.654  -6.964  -2.263
  148   2HB   CYS  18          1HB       CYS  18  -1.375  -7.892  -3.574
  149    HG   CYS  18           HG       CYS  18  -3.184  -6.328  -1.820
  150    H    ASP  19           H        ASP  19  -2.882  -9.656  -1.334
  151    HA   ASP  19           HA       ASP  19  -2.968 -12.167  -2.870
  152   1HB   ASP  19          2HB       ASP  19  -3.790 -11.811   0.019
  153   2HB   ASP  19          1HB       ASP  19  -4.150 -13.238  -0.946
  154    H    GLY  20           H        GLY  20  -5.191 -10.300  -0.737
  155   1HA   GLY  20          2HA       GLY  20  -6.906  -9.268  -2.592
  156   2HA   GLY  20          1HA       GLY  20  -7.422 -10.944  -2.468
  157    H    GLY  21           H        GLY  21  -9.444 -10.494  -1.581
  158   1HA   GLY  21          2HA       GLY  21  -9.559  -8.988   0.943
  159   2HA   GLY  21          1HA       GLY  21 -10.933  -9.470  -0.037
  160    H    GLU  22           H        GLU  22 -12.085 -11.190   0.647
  161    HA   GLU  22           HA       GLU  22 -11.225 -12.840   2.830
  162   1HB   GLU  22          2HB       GLU  22 -13.570 -12.954   0.928
  163   2HB   GLU  22          1HB       GLU  22 -13.295 -14.204   2.135
  164   1HG   GLU  22          2HG       GLU  22 -14.938 -12.493   2.835
  165   2HG   GLU  22          1HG       GLU  22 -13.563 -12.644   3.924
  166    H    GLY  23           H        GLY  23 -11.042 -15.236   2.676
  167   1HA   GLY  23          2HA       GLY  23  -9.118 -16.238   1.017
  168   2HA   GLY  23          1HA       GLY  23 -10.384 -17.228   1.714
  169    H    ALA  24           H        ALA  24 -12.617 -16.477   0.362
  170    HA   ALA  24           HA       ALA  24 -12.204 -17.718  -2.206
  171   1HB   ALA  24          1HB       ALA  24 -14.738 -16.640  -0.971
  172   2HB   ALA  24          2HB       ALA  24 -14.135 -18.290  -0.813
  173   3HB   ALA  24          3HB       ALA  24 -14.634 -17.682  -2.391
  174    H    LEU  25           H        LEU  25 -11.858 -14.578  -1.253
  175    HA   LEU  25           HA       LEU  25 -12.741 -13.488  -3.849
  176   1HB   LEU  25          2HB       LEU  25 -12.438 -12.080  -1.187
  177   2HB   LEU  25          1HB       LEU  25 -12.824 -11.279  -2.700
  178    HG   LEU  25           HG       LEU  25 -14.548 -13.313  -1.266
  179   1HD1  LEU  25          1HD1      LEU  25 -14.941 -10.359  -1.745
  180   2HD1  LEU  25          2HD1      LEU  25 -14.571 -11.125  -0.201
  181   3HD1  LEU  25          3HD1      LEU  25 -16.112 -11.444  -0.997
  182   1HD2  LEU  25          1HD2      LEU  25 -15.089 -11.839  -3.849
  183   2HD2  LEU  25          2HD2      LEU  25 -16.212 -12.902  -3.003
  184   3HD2  LEU  25          3HD2      LEU  25 -14.733 -13.560  -3.701
  185    H    GLY  26           H        GLY  26 -10.384 -14.789  -3.821
  186   1HA   GLY  26          2HA       GLY  26  -8.631 -13.738  -5.307
  187   2HA   GLY  26          1HA       GLY  26  -8.389 -12.606  -3.987
  188    H    HIS  27           H        HIS  27  -6.344 -13.059  -3.410
  189    HA   HIS  27           HA       HIS  27  -4.637 -14.064  -2.323
  190   1HB   HIS  27          2HB       HIS  27  -6.781 -16.054  -1.551
  191   2HB   HIS  27          1HB       HIS  27  -5.130 -16.116  -0.935
  192    HD1  HIS  27           HD1      HIS  27  -7.608 -13.249  -1.292
  193    HD2  HIS  27           HD2      HIS  27  -5.175 -15.032   1.558
  194    HE1  HIS  27           HE1      HIS  27  -7.746 -11.753   0.720
  195    HE2  HIS  27           HE2      HIS  27  -6.446 -12.983   2.501
  196    HA   PRO  28           HA       PRO  28  -3.823 -17.296  -5.540
  197   1HB   PRO  28          2HB       PRO  28  -3.728 -16.078  -7.892
  198   2HB   PRO  28          1HB       PRO  28  -5.291 -16.440  -7.150
  199   1HG   PRO  28          2HG       PRO  28  -3.877 -13.834  -7.401
  200   2HG   PRO  28          1HG       PRO  28  -5.619 -14.171  -7.365
  201   1HD   PRO  28          2HD       PRO  28  -3.931 -13.357  -5.183
  202   2HD   PRO  28          1HD       PRO  28  -5.664 -13.735  -5.135
  203    H    ARG  29           H        ARG  29  -2.262 -14.629  -4.340
  204    HA   ARG  29           HA       ARG  29  -0.169 -13.940  -4.143
  205   1HB   ARG  29          2HB       ARG  29   0.720 -16.142  -4.186
  206   2HB   ARG  29          1HB       ARG  29   0.417 -16.317  -5.902
  207   1HG   ARG  29          2HG       ARG  29   2.356 -14.261  -4.912
  208   2HG   ARG  29          1HG       ARG  29   2.827 -15.949  -5.088
  209   1HD   ARG  29          2HD       ARG  29   1.806 -15.739  -7.451
  210   2HD   ARG  29          1HD       ARG  29   1.940 -14.007  -7.184
  211    HE   ARG  29           HE       ARG  29   4.428 -15.222  -6.644
  212   1HH1  ARG  29          1HH1      ARG  29   2.344 -14.532  -9.300
  213   2HH1  ARG  29          2HH1      ARG  29   3.646 -14.349 -10.422
  214   1HH2  ARG  29          1HH2      ARG  29   6.101 -14.984  -8.099
  215   2HH2  ARG  29          2HH2      ARG  29   5.746 -14.614  -9.751
  216    H    VAL  30           H        VAL  30  -0.463 -12.032  -4.909
  217    HA   VAL  30           HA       VAL  30   0.191 -11.535  -7.747
  218    HB   VAL  30           HB       VAL  30  -1.397  -9.602  -7.748
  219   1HG1  VAL  30          1HG1      VAL  30  -2.653 -12.308  -7.256
  220   2HG1  VAL  30          2HG1      VAL  30  -2.015 -11.720  -8.791
  221   3HG1  VAL  30          3HG1      VAL  30  -3.423 -10.943  -8.069
  222   1HG2  VAL  30          1HG2      VAL  30  -3.184  -9.531  -6.061
  223   2HG2  VAL  30          2HG2      VAL  30  -1.601  -9.246  -5.341
  224   3HG2  VAL  30          3HG2      VAL  30  -2.383 -10.817  -5.159
  225    H    TRP  31           H        TRP  31   1.692 -10.003  -8.124
  226    HA   TRP  31           HA       TRP  31   2.769  -8.547  -5.791
  227   1HB   TRP  31          2HB       TRP  31   4.086  -9.368  -8.394
  228   2HB   TRP  31          1HB       TRP  31   4.859  -8.366  -7.170
  229    HD1  TRP  31           HD       TRP  31   3.274 -11.912  -7.401
  230    HE1  TRP  31           HE1      TRP  31   4.616 -13.471  -5.854
  231    HE3  TRP  31           HE3      TRP  31   6.524  -8.491  -5.423
  232    HZ2  TRP  31           HZ2      TRP  31   6.770 -13.275  -4.035
  233    HZ3  TRP  31           HZ3      TRP  31   8.197  -9.259  -3.791
  234    HH2  TRP  31           HH       TRP  31   8.317 -11.605  -3.110
  235    H    LEU  32           H        LEU  32   2.193  -6.467  -5.685
  236    HA   LEU  32           HA       LEU  32   1.754  -4.972  -8.195
  237   1HB   LEU  32          2HB       LEU  32   0.707  -4.464  -5.405
  238   2HB   LEU  32          1HB       LEU  32   0.526  -3.330  -6.729
  239    HG   LEU  32           HG       LEU  32  -0.714  -5.175  -7.977
  240   1HD1  LEU  32          1HD1      LEU  32  -1.724  -6.950  -6.635
  241   2HD1  LEU  32          2HD1      LEU  32  -0.782  -6.434  -5.234
  242   3HD1  LEU  32          3HD1      LEU  32   0.036  -7.080  -6.657
  243   1HD2  LEU  32          1HD2      LEU  32  -1.864  -3.277  -6.990
  244   2HD2  LEU  32          2HD2      LEU  32  -1.909  -4.088  -5.425
  245   3HD2  LEU  32          3HD2      LEU  32  -2.819  -4.745  -6.785
  246    H    GLN  33           H        GLN  33   2.971  -3.237  -8.692
  247    HA   GLN  33           HA       GLN  33   5.296  -2.666  -7.019
  248   1HB   GLN  33          2HB       GLN  33   5.572  -3.090  -9.433
  249   2HB   GLN  33          1HB       GLN  33   4.557  -1.703  -9.797
  250   1HG   GLN  33          2HG       GLN  33   6.796  -1.026 -10.132
  251   2HG   GLN  33          1HG       GLN  33   6.259  -0.266  -8.635
  252   1HE2  GLN  33          1HE2      GLN  33   8.398  -0.011  -7.924
  253   2HE2  GLN  33          2HE2      GLN  33   9.343  -1.350  -7.372
  254    H    ILE  34           H        ILE  34   5.266  -1.058  -5.578
  255    HA   ILE  34           HA       ILE  34   3.392   1.129  -5.699
  256    HB   ILE  34           HB       ILE  34   5.759   0.708  -3.856
  257   1HG1  ILE  34          2HG1      ILE  34   2.804   0.210  -3.374
  258   2HG1  ILE  34          1HG1      ILE  34   4.003  -1.044  -3.671
  259   1HG2  ILE  34          1HG2      ILE  34   4.626   2.383  -2.415
  260   2HG2  ILE  34          2HG2      ILE  34   3.471   2.676  -3.713
  261   3HG2  ILE  34          3HG2      ILE  34   5.177   3.053  -3.951
  262   1HD1  ILE  34          1HD1      ILE  34   3.492  -0.856  -1.310
  263   2HD1  ILE  34          2HD1      ILE  34   3.966   0.843  -1.324
  264   3HD1  ILE  34          3HD1      ILE  34   5.170  -0.413  -1.622
  265    HA   PRO  35           HA       PRO  35   6.309   3.612  -8.116
  266   1HB   PRO  35          2HB       PRO  35   4.602   5.517  -8.899
  267   2HB   PRO  35          1HB       PRO  35   4.498   3.876  -9.554
  268   1HG   PRO  35          2HG       PRO  35   2.852   5.163  -7.399
  269   2HG   PRO  35          1HG       PRO  35   2.323   4.131  -8.741
  270   1HD   PRO  35          2HD       PRO  35   2.739   3.239  -6.161
  271   2HD   PRO  35          1HD       PRO  35   2.815   2.201  -7.600
  272    H    GLU  36           H        GLU  36   7.776   4.833  -7.050
  273    HA   GLU  36           HA       GLU  36   7.398   6.370  -4.754
  274   1HB   GLU  36          2HB       GLU  36   9.453   6.678  -6.959
  275   2HB   GLU  36          1HB       GLU  36   9.552   7.480  -5.396
  276   1HG   GLU  36          2HG       GLU  36   9.789   5.394  -4.252
  277   2HG   GLU  36          1HG       GLU  36   9.439   4.485  -5.722
  278    H    ASP  37           H        ASP  37   6.486   7.045  -7.958
  279    HA   ASP  37           HA       ASP  37   6.493   9.843  -8.067
  280   1HB   ASP  37          2HB       ASP  37   4.459   7.999  -9.340
  281   2HB   ASP  37          1HB       ASP  37   4.966   9.587  -9.911
  282    H    THR  38           H        THR  38   4.266   7.626  -6.501
  283    HA   THR  38           HA       THR  38   2.816   9.952  -5.414
  284    HB   THR  38           HB       THR  38   1.408   8.823  -7.142
  285    HG1  THR  38           HG1      THR  38  -0.004   9.723  -5.850
  286   1HG2  THR  38          1HG2      THR  38   1.323   6.525  -5.185
  287   2HG2  THR  38          2HG2      THR  38   2.160   6.501  -6.736
  288   3HG2  THR  38          3HG2      THR  38   0.405   6.665  -6.683
  289    H    GLY  39           H        GLY  39   3.688   6.523  -4.932
  290   1HA   GLY  39          2HA       GLY  39   4.924   6.015  -2.922
  291   2HA   GLY  39          1HA       GLY  39   3.947   7.190  -2.067
  292    H    TRP  40           H        TRP  40   1.894   5.325  -3.989
  293    HA   TRP  40           HA       TRP  40   1.509   3.278  -1.927
  294   1HB   TRP  40          2HB       TRP  40  -0.910   3.859  -1.714
  295   2HB   TRP  40          1HB       TRP  40   0.165   5.117  -1.109
  296    HD1  TRP  40           HD       TRP  40   0.240   7.426  -2.447
  297    HE1  TRP  40           HE1      TRP  40  -1.327   8.468  -4.191
  298    HE3  TRP  40           HE3      TRP  40  -2.474   3.271  -3.696
  299    HZ2  TRP  40           HZ2      TRP  40  -3.434   7.654  -5.873
  300    HZ3  TRP  40           HZ3      TRP  40  -4.247   3.490  -5.386
  301    HH2  TRP  40           HH       TRP  40  -4.717   5.641  -6.454
  302    H    VAL  41           H        VAL  41  -0.086   1.620  -2.498
  303    HA   VAL  41           HA       VAL  41  -1.176   1.643  -5.214
  304    HB   VAL  41           HB       VAL  41   1.022   0.430  -5.349
  305   1HG1  VAL  41          1HG1      VAL  41   1.221  -1.805  -4.367
  306   2HG1  VAL  41          2HG1      VAL  41  -0.330  -1.591  -3.553
  307   3HG1  VAL  41          3HG1      VAL  41   1.042  -0.570  -3.119
  308   1HG2  VAL  41          1HG2      VAL  41  -1.442  -1.239  -5.878
  309   2HG2  VAL  41          2HG2      VAL  41   0.148  -1.496  -6.596
  310   3HG2  VAL  41          3HG2      VAL  41  -0.751  -0.022  -6.953
  311    H    GLU  42           H        GLU  42  -3.123   0.426  -5.400
  312    HA   GLU  42           HA       GLU  42  -4.168  -0.579  -2.817
  313   1HB   GLU  42          2HB       GLU  42  -5.619   0.867  -5.037
  314   2HB   GLU  42          1HB       GLU  42  -6.441   0.052  -3.713
  315   1HG   GLU  42          2HG       GLU  42  -5.225   1.531  -2.125
  316   2HG   GLU  42          1HG       GLU  42  -4.568   2.404  -3.510
  317    H    CYS  43           H        CYS  43  -5.202  -2.494  -2.708
  318    HA   CYS  43           HA       CYS  43  -5.584  -4.050  -5.195
  319   1HB   CYS  43          2HB       CYS  43  -5.369  -5.066  -2.346
  320   2HB   CYS  43          1HB       CYS  43  -5.492  -6.059  -3.796
  321    HG   CYS  43           HG       CYS  43  -2.946  -4.076  -4.218
  322    HA   PRO  44           HA       PRO  44  -9.770  -2.760  -4.336
  323   1HB   PRO  44          2HB       PRO  44 -10.989  -3.806  -6.520
  324   2HB   PRO  44          1HB       PRO  44  -9.932  -2.393  -6.596
  325   1HG   PRO  44          2HG       PRO  44  -9.292  -5.266  -7.185
  326   2HG   PRO  44          1HG       PRO  44  -8.894  -3.822  -8.135
  327   1HD   PRO  44          2HD       PRO  44  -7.087  -4.989  -6.507
  328   2HD   PRO  44          1HD       PRO  44  -7.137  -3.229  -6.735
  329    H    TYR  45           H        TYR  45  -8.799  -5.735  -3.544
  330    HA   TYR  45           HA       TYR  45 -11.469  -6.941  -3.376
  331   1HB   TYR  45          2HB       TYR  45  -8.779  -8.094  -2.595
  332   2HB   TYR  45          1HB       TYR  45 -10.309  -8.964  -2.577
  333    HD1  TYR  45           HD1      TYR  45 -11.357  -9.685  -4.665
  334    HD2  TYR  45           HD2      TYR  45  -7.653  -7.583  -4.696
  335    HE1  TYR  45           HE1      TYR  45 -11.004 -10.349  -7.005
  336    HE2  TYR  45           HE2      TYR  45  -7.290  -8.243  -7.035
  337    HH   TYR  45           HH       TYR  45  -9.760  -9.636  -8.952
  338    H    CYS  46           H        CYS  46  -8.813  -6.995  -0.948
  339    HA   CYS  46           HA       CYS  46 -10.679  -6.217   1.144
  340   1HB   CYS  46          2HB       CYS  46  -8.965  -7.868   1.676
  341   2HB   CYS  46          1HB       CYS  46  -7.695  -6.740   1.237
  342    HG   CYS  46           HG       CYS  46  -8.485  -4.932   3.352
  343    H    ASP  47           H        ASP  47  -9.289  -4.442  -1.174
  344    HA   ASP  47           HA       ASP  47  -8.659  -2.285  -1.480
  345   1HB   ASP  47          2HB       ASP  47 -10.349  -1.988   1.005
  346   2HB   ASP  47          1HB       ASP  47  -9.713  -0.610   0.105
  347    H    CYS  48           H        CYS  48  -6.864  -3.995   0.023
  348    HA   CYS  48           HA       CYS  48  -5.536  -2.579   2.066
  349   1HB   CYS  48          2HB       CYS  48  -4.384  -4.602   0.128
  350   2HB   CYS  48          1HB       CYS  48  -3.664  -4.110   1.659
  351    HG   CYS  48           HG       CYS  48  -5.583  -5.247   3.261
  352    H    LYS  49           H        LYS  49  -4.693  -0.615   1.832
  353    HA   LYS  49           HA       LYS  49  -3.505   0.209  -0.722
  354   1HB   LYS  49          2HB       LYS  49  -5.259   1.624   0.364
  355   2HB   LYS  49          1HB       LYS  49  -4.161   1.889   1.712
  356   1HG   LYS  49          2HG       LYS  49  -2.620   3.082   0.294
  357   2HG   LYS  49          1HG       LYS  49  -3.559   2.668  -1.142
  358   1HD   LYS  49          2HD       LYS  49  -5.481   3.926  -0.183
  359   2HD   LYS  49          1HD       LYS  49  -4.443   4.428   1.152
  360   1HE   LYS  49          2HE       LYS  49  -2.987   5.612  -0.370
  361   2HE   LYS  49          1HE       LYS  49  -3.890   5.013  -1.760
  362   1HZ   LYS  49          1HZ       LYS  49  -4.954   6.812   0.348
  363   2HZ   LYS  49          2HZ       LYS  49  -5.819   6.246  -0.990
  364   3HZ   LYS  49          3HZ       LYS  49  -4.497   7.278  -1.208
  365    H    TYR  50           H        TYR  50  -1.408  -0.414  -0.826
  366    HA   TYR  50           HA       TYR  50   0.238  -0.497   1.573
  367   1HB   TYR  50          2HB       TYR  50   0.868  -1.296  -1.282
  368   2HB   TYR  50          1HB       TYR  50   1.911  -1.577   0.110
  369    HD1  TYR  50           HD1      TYR  50   1.068  -3.094   1.963
  370    HD2  TYR  50           HD2      TYR  50  -0.862  -2.818  -1.823
  371    HE1  TYR  50           HE1      TYR  50  -0.063  -5.231   2.390
  372    HE2  TYR  50           HE2      TYR  50  -2.001  -4.956  -1.401
  373    HH   TYR  50           HH       TYR  50  -1.721  -6.961  -0.029
  374    H    VAL  51           H        VAL  51   1.312   1.224   2.212
  375    HA   VAL  51           HA       VAL  51   2.175   3.270   0.285
  376    HB   VAL  51           HB       VAL  51   2.205   3.314   3.320
  377   1HG1  VAL  51          1HG1      VAL  51   3.946   4.749   2.422
  378   2HG1  VAL  51          2HG1      VAL  51   2.632   5.738   3.061
  379   3HG1  VAL  51          3HG1      VAL  51   2.796   5.503   1.320
  380   1HG2  VAL  51          1HG2      VAL  51   0.318   4.877   3.102
  381   2HG2  VAL  51          2HG2      VAL  51  -0.065   3.297   2.416
  382   3HG2  VAL  51          3HG2      VAL  51   0.334   4.647   1.352
  383    H    LEU  52           H        LEU  52   4.312   3.753  -0.106
  384    HA   LEU  52           HA       LEU  52   6.267   1.754   0.559
  385   1HB   LEU  52          2HB       LEU  52   6.224   2.843  -1.638
  386   2HB   LEU  52          1HB       LEU  52   6.589   4.384  -0.893
  387    HG   LEU  52           HG       LEU  52   8.791   3.523  -0.187
  388   1HD1  LEU  52          1HD1      LEU  52   8.015   1.035  -1.713
  389   2HD1  LEU  52          2HD1      LEU  52   8.235   1.164   0.034
  390   3HD1  LEU  52          3HD1      LEU  52   9.613   1.385  -1.046
  391   1HD2  LEU  52          1HD2      LEU  52   8.219   3.210  -3.139
  392   2HD2  LEU  52          2HD2      LEU  52   9.814   3.433  -2.417
  393   3HD2  LEU  52          3HD2      LEU  52   8.610   4.712  -2.300
  394    H    LYS  53           H        LYS  53   7.793   1.779   2.073
  395    HA   LYS  53           HA       LYS  53   7.699   3.358   4.334
  396   1HB   LYS  53          2HB       LYS  53   8.758   1.177   4.253
  397   2HB   LYS  53          1HB       LYS  53  10.015   1.791   3.191
  398   1HG   LYS  53          2HG       LYS  53  10.838   3.228   4.982
  399   2HG   LYS  53          1HG       LYS  53   9.563   2.636   6.050
  400   1HD   LYS  53          2HD       LYS  53  10.457   0.379   5.921
  401   2HD   LYS  53          1HD       LYS  53  11.679   0.900   4.760
  402   1HE   LYS  53          2HE       LYS  53  12.653   2.371   6.466
  403   2HE   LYS  53          1HE       LYS  53  11.435   1.830   7.620
  404   1HZ   LYS  53          1HZ       LYS  53  12.311  -0.393   7.491
  405   2HZ   LYS  53          2HZ       LYS  53  13.562   0.675   7.878
  406   3HZ   LYS  53          3HZ       LYS  53  13.428   0.065   6.307
  407    H    GLY  54           H        GLY  54   7.961   5.519   4.431
  408   1HA   GLY  54          2HA       GLY  54   9.305   7.417   4.659
  409   2HA   GLY  54          1HA       GLY  54  10.574   6.610   3.757
  410    H    SER  55           H        SER  55   7.784   6.279   1.993
  411    HA   SER  55           HA       SER  55   8.632   8.119  -0.021
  412   1HB   SER  55          2HB       SER  55   7.476   6.075  -0.653
  413   2HB   SER  55          1HB       SER  55   6.048   6.560   0.258
  414    HG   SER  55           HG       SER  55   7.112   7.761  -2.088
  415    H    LYS  56           H        LYS  56   6.857   9.614  -1.059
  416    HA   LYS  56           HA       LYS  56   6.347  11.702   0.802
  417   1HB   LYS  56          2HB       LYS  56   6.798  12.009  -1.652
  418   2HB   LYS  56          1HB       LYS  56   5.177  11.407  -1.975
  419   1HG   LYS  56          2HG       LYS  56   4.191  13.261  -0.797
  420   2HG   LYS  56          1HG       LYS  56   5.782  13.832  -0.287
  421   1HD   LYS  56          2HD       LYS  56   6.376  14.199  -2.664
  422   2HD   LYS  56          1HD       LYS  56   4.747  13.694  -3.127
  423   1HE   LYS  56          2HE       LYS  56   5.383  16.027  -1.316
  424   2HE   LYS  56          1HE       LYS  56   5.024  16.158  -3.037
  425   1HZ   LYS  56          1HZ       LYS  56   3.127  16.554  -1.451
  426   2HZ   LYS  56          2HZ       LYS  56   3.145  14.896  -1.126
  427   3HZ   LYS  56          3HZ       LYS  56   2.837  15.450  -2.695
  428    H    ALA  57           H        ALA  57   4.442   9.019  -0.347
  429    HA   ALA  57           HA       ALA  57   1.928   9.918   0.703
  430   1HB   ALA  57          1HB       ALA  57   2.050   8.190  -1.034
  431   2HB   ALA  57          2HB       ALA  57   1.192   7.604   0.393
  432   3HB   ALA  57          3HB       ALA  57   2.860   7.106   0.094
  433    H    ASP  58           H        ASP  58   4.777   8.615   2.085
  434    HA   ASP  58           HA       ASP  58   3.442   7.931   4.615
  435   1HB   ASP  58          2HB       ASP  58   5.054   6.310   3.571
  436   2HB   ASP  58          1HB       ASP  58   6.329   7.504   3.776
  437    H    ALA  59           H        ALA  59   3.743  10.688   3.644
  438    HA   ALA  59           HA       ALA  59   5.794  11.868   5.370
  439   1HB   ALA  59          1HB       ALA  59   5.257  13.967   4.243
  440   2HB   ALA  59          2HB       ALA  59   3.926  13.180   3.393
  441   3HB   ALA  59          3HB       ALA  59   5.590  12.689   3.072
  442    H    LEU  60           H        LEU  60   2.980  10.671   6.121
  443    HA   LEU  60           HA       LEU  60   1.734  12.910   7.478
  444   1HB   LEU  60          2HB       LEU  60   1.114   9.948   7.465
  445   2HB   LEU  60          1HB       LEU  60   0.194  11.126   8.377
  446    HG   LEU  60           HG       LEU  60  -0.303  12.294   6.185
  447   1HD1  LEU  60          1HD1      LEU  60   0.783   9.737   5.008
  448   2HD1  LEU  60          2HD1      LEU  60   1.483  11.347   4.837
  449   3HD1  LEU  60          3HD1      LEU  60  -0.094  10.995   4.131
  450   1HD2  LEU  60          1HD2      LEU  60  -2.076  10.715   5.565
  451   2HD2  LEU  60          2HD2      LEU  60  -1.958  10.912   7.311
  452   3HD2  LEU  60          3HD2      LEU  60  -1.308   9.466   6.542
  453    H    GLU  61           H        GLU  61   0.958  11.529   9.895
  454    HA   GLU  61           HA       GLU  61   1.632  11.218  12.046
  455   1HB   GLU  61          2HB       GLU  61   4.300  10.549  10.779
  456   2HB   GLU  61          1HB       GLU  61   3.949  10.372  12.492
  457   1HG   GLU  61          2HG       GLU  61   2.355   8.969  10.363
  458   2HG   GLU  61          1HG       GLU  61   3.819   8.281  11.060
  459    H    HIS  62           H        HIS  62   4.662  12.523  10.690
  460    HA   HIS  62           HA       HIS  62   4.223  15.176  11.633
  461   1HB   HIS  62          2HB       HIS  62   6.108  15.160  13.326
  462   2HB   HIS  62          1HB       HIS  62   4.647  14.317  13.820
  463    HD1  HIS  62           HD1      HIS  62   4.807  11.806  14.253
  464    HD2  HIS  62           HD2      HIS  62   8.344  13.467  12.822
  465    HE1  HIS  62           HE1      HIS  62   6.557  10.039  14.572
  466    HE2  HIS  62           HE2      HIS  62   8.711  11.133  13.887
  467    H    HIS  63           H        HIS  63   5.735  16.629  10.846
  468    HA   HIS  63           HA       HIS  63   7.231  15.658   8.581
  469   1HB   HIS  63          2HB       HIS  63   6.782  18.438   9.677
  470   2HB   HIS  63          1HB       HIS  63   7.717  18.107   8.222
  471    HD1  HIS  63           HD1      HIS  63   5.848  19.662   7.083
  472    HD2  HIS  63           HD2      HIS  63   4.556  15.940   8.409
  473    HE1  HIS  63           HE1      HIS  63   3.646  19.270   5.946
  474    HE2  HIS  63           HE2      HIS  63   2.833  17.061   6.833
  475    H    HIS  64           H        HIS  64   9.395  16.975   8.185
  476    HA   HIS  64           HA       HIS  64  11.128  17.094  10.502
  477   1HB   HIS  64          2HB       HIS  64  12.784  15.487   9.442
  478   2HB   HIS  64          1HB       HIS  64  11.337  14.759  10.124
  479    HD1  HIS  64           HD1      HIS  64  13.321  14.881   7.085
  480    HD2  HIS  64           HD2      HIS  64   9.374  14.025   8.070
  481    HE1  HIS  64           HE1      HIS  64  12.373  13.689   5.092
  482    HE2  HIS  64           HE2      HIS  64   9.965  13.258   5.672
  483    H    HIS  65           H        HIS  65  11.255  16.936   6.912
  484    HA   HIS  65           HA       HIS  65  11.850  18.468   5.354
  485   1HB   HIS  65          2HB       HIS  65  10.215  19.821   6.543
  486   2HB   HIS  65          1HB       HIS  65  11.451  20.385   7.659
  487    HD1  HIS  65           HD1      HIS  65  10.704  20.535   3.935
  488    HD2  HIS  65           HD2      HIS  65  12.556  22.763   6.915
  489    HE1  HIS  65           HE1      HIS  65  11.373  22.689   2.841
  490    HE2  HIS  65           HE2      HIS  65  12.585  23.979   4.627
  491    H    HIS  66           H        HIS  66  14.028  17.644   7.651
  492    HA   HIS  66           HA       HIS  66  16.130  18.247   8.316
  493   1HB   HIS  66          2HB       HIS  66  17.758  18.487   6.466
  494   2HB   HIS  66          1HB       HIS  66  16.646  17.157   6.209
  495    HD1  HIS  66           HD1      HIS  66  17.385  20.649   4.940
  496    HD2  HIS  66           HD2      HIS  66  15.247  17.253   3.845
  497    HE1  HIS  66           HE1      HIS  66  16.627  21.060   2.589
  498    HE2  HIS  66           HE2      HIS  66  15.238  19.052   1.989
  499    H    HIS  67           H        HIS  67  18.024  20.144   7.404
  500    HA   HIS  67           HA       HIS  67  16.727  22.622   8.242
  501   1HB   HIS  67          2HB       HIS  67  18.972  23.587   8.402
  502   2HB   HIS  67          1HB       HIS  67  18.866  22.084   9.296
  503    HD1  HIS  67           HD1      HIS  67  20.440  20.200   8.613
  504    HD2  HIS  67           HD2      HIS  67  20.624  23.484   6.073
  505    HE1  HIS  67           HE1      HIS  67  22.479  19.845   7.192
  506    HE2  HIS  67           HE2      HIS  67  22.482  21.765   5.569
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -25.182   0.530   7.025
    2   2H    MET   1          2H        MET   1 -23.616   0.705   6.415
    3   3H    MET   1          3H        MET   1 -23.917   0.953   8.059
    4    HA   MET   1           HA       MET   1 -24.475  -1.346   8.377
    5   1HB   MET   1          2HB       MET   1 -23.796  -1.642   5.437
    6   2HB   MET   1          1HB       MET   1 -24.185  -2.958   6.536
    7   1HG   MET   1          2HG       MET   1 -26.435  -2.115   6.806
    8   2HG   MET   1          1HG       MET   1 -26.057  -0.712   5.807
    9   1HE   MET   1          1HE       MET   1 -28.479  -2.718   3.502
   10   2HE   MET   1          2HE       MET   1 -28.142  -1.169   4.274
   11   3HE   MET   1          3HE       MET   1 -28.572  -2.569   5.255
   12    H    THR   2           H        THR   2 -21.962  -0.931   5.854
   13    HA   THR   2           HA       THR   2 -19.915  -1.647   7.875
   14    HB   THR   2           HB       THR   2 -18.519  -2.483   6.004
   15    HG1  THR   2           HG1      THR   2 -19.651  -2.786   3.944
   16   1HG2  THR   2          1HG2      THR   2 -21.274  -3.744   6.079
   17   2HG2  THR   2          2HG2      THR   2 -19.960  -4.072   7.210
   18   3HG2  THR   2          3HG2      THR   2 -19.792  -4.521   5.515
   19    H    ILE   3           H        ILE   3 -17.916  -0.540   7.830
   20    HA   ILE   3           HA       ILE   3 -17.898   2.033   6.414
   21    HB   ILE   3           HB       ILE   3 -15.960   0.927   8.469
   22   1HG1  ILE   3          2HG1      ILE   3 -18.157   3.000   8.734
   23   2HG1  ILE   3          1HG1      ILE   3 -18.188   1.376   9.414
   24   1HG2  ILE   3          1HG2      ILE   3 -15.050   3.195   8.583
   25   2HG2  ILE   3          2HG2      ILE   3 -16.154   3.716   7.313
   26   3HG2  ILE   3          3HG2      ILE   3 -14.892   2.538   6.954
   27   1HD1  ILE   3          1HD1      ILE   3 -16.310   1.948  10.861
   28   2HD1  ILE   3          2HD1      ILE   3 -17.666   3.047  11.098
   29   3HD1  ILE   3          3HD1      ILE   3 -16.264   3.568  10.166
   30    H    GLN   4           H        GLN   4 -16.477  -1.107   6.387
   31    HA   GLN   4           HA       GLN   4 -15.094  -2.214   5.000
   32   1HB   GLN   4          2HB       GLN   4 -15.391   0.188   3.178
   33   2HB   GLN   4          1HB       GLN   4 -14.684  -1.358   2.716
   34   1HG   GLN   4          2HG       GLN   4 -16.841  -2.458   3.140
   35   2HG   GLN   4          1HG       GLN   4 -17.542  -0.901   3.575
   36   1HE2  GLN   4          1HE2      GLN   4 -15.256  -1.344   0.958
   37   2HE2  GLN   4          2HE2      GLN   4 -16.370  -1.011  -0.312
   38    H    ALA   5           H        ALA   5 -13.971   1.051   4.186
   39    HA   ALA   5           HA       ALA   5 -12.042   2.179   4.540
   40   1HB   ALA   5          1HB       ALA   5 -11.704   0.410   6.954
   41   2HB   ALA   5          2HB       ALA   5 -12.674   1.882   6.903
   42   3HB   ALA   5          3HB       ALA   5 -10.929   1.966   6.669
   43    HA   PRO   6           HA       PRO   6  -9.235  -0.670   2.320
   44   1HB   PRO   6          2HB       PRO   6  -8.023   1.965   1.634
   45   2HB   PRO   6          1HB       PRO   6  -8.480   0.624   0.574
   46   1HG   PRO   6          2HG       PRO   6  -9.934   2.861   0.657
   47   2HG   PRO   6          1HG       PRO   6 -10.709   1.272   0.498
   48   1HD   PRO   6          2HD       PRO   6 -10.452   3.022   2.925
   49   2HD   PRO   6          1HD       PRO   6 -11.835   2.052   2.376
   50    H    GLU   7           H        GLU   7  -8.429  -1.372   4.383
   51    HA   GLU   7           HA       GLU   7  -6.821  -0.168   6.191
   52   1HB   GLU   7          2HB       GLU   7  -7.181  -2.908   5.254
   53   2HB   GLU   7          1HB       GLU   7  -5.557  -2.641   5.862
   54   1HG   GLU   7          2HG       GLU   7  -8.026  -1.916   7.418
   55   2HG   GLU   7          1HG       GLU   7  -7.241  -3.488   7.521
   56    H    THR   8           H        THR   8  -4.943   0.829   6.242
   57    HA   THR   8           HA       THR   8  -3.257   0.872   3.851
   58    HB   THR   8           HB       THR   8  -3.143   2.536   6.385
   59    HG1  THR   8           HG1      THR   8  -4.389   2.831   3.884
   60   1HG2  THR   8          1HG2      THR   8  -0.922   2.373   5.369
   61   2HG2  THR   8          2HG2      THR   8  -1.590   3.988   5.140
   62   3HG2  THR   8          3HG2      THR   8  -1.592   2.835   3.805
   63    H    LYS   9           H        LYS   9  -1.172   0.084   3.748
   64    HA   LYS   9           HA       LYS   9  -0.152  -1.299   6.152
   65   1HB   LYS   9          2HB       LYS   9  -1.271  -2.805   4.426
   66   2HB   LYS   9          1HB       LYS   9   0.052  -2.399   3.342
   67   1HG   LYS   9          2HG       LYS   9   1.648  -3.343   4.946
   68   2HG   LYS   9          1HG       LYS   9   0.312  -3.747   6.026
   69   1HD   LYS   9          2HD       LYS   9  -0.650  -5.119   4.131
   70   2HD   LYS   9          1HD       LYS   9   0.875  -4.866   3.278
   71   1HE   LYS   9          2HE       LYS   9   0.865  -7.019   4.435
   72   2HE   LYS   9          1HE       LYS   9   2.083  -5.943   5.122
   73   1HZ   LYS   9          1HZ       LYS   9   0.650  -5.479   6.960
   74   2HZ   LYS   9          2HZ       LYS   9   0.757  -7.156   6.796
   75   3HZ   LYS   9          3HZ       LYS   9  -0.627  -6.343   6.270
   76    H    ILE  10           H        ILE  10   1.778  -0.486   6.701
   77    HA   ILE  10           HA       ILE  10   3.340   1.038   4.776
   78    HB   ILE  10           HB       ILE  10   3.903   0.517   7.707
   79   1HG1  ILE  10          2HG1      ILE  10   1.766   1.697   7.406
   80   2HG1  ILE  10          1HG1      ILE  10   2.975   2.775   8.090
   81   1HG2  ILE  10          1HG2      ILE  10   5.070   2.557   5.802
   82   2HG2  ILE  10          2HG2      ILE  10   5.909   1.164   6.484
   83   3HG2  ILE  10          3HG2      ILE  10   5.388   2.481   7.535
   84   1HD1  ILE  10          1HD1      ILE  10   1.657   3.920   6.424
   85   2HD1  ILE  10          2HD1      ILE  10   2.072   2.702   5.219
   86   3HD1  ILE  10          3HD1      ILE  10   3.323   3.762   5.871
   87    H    VAL  11           H        VAL  11   4.739   0.004   3.489
   88    HA   VAL  11           HA       VAL  11   6.153  -2.387   4.511
   89    HB   VAL  11           HB       VAL  11   6.397  -3.099   2.163
   90   1HG1  VAL  11          1HG1      VAL  11   4.044  -3.704   1.764
   91   2HG1  VAL  11          2HG1      VAL  11   3.540  -2.523   2.973
   92   3HG1  VAL  11          3HG1      VAL  11   4.502  -3.922   3.453
   93   1HG2  VAL  11          1HG2      VAL  11   6.375  -0.908   1.087
   94   2HG2  VAL  11          2HG2      VAL  11   4.685  -0.682   1.534
   95   3HG2  VAL  11          3HG2      VAL  11   5.130  -1.945   0.387
   96    H    ASP  12           H        ASP  12   8.335  -2.778   3.543
   97    HA   ASP  12           HA       ASP  12   9.835  -0.248   3.328
   98   1HB   ASP  12          2HB       ASP  12  10.925  -3.002   3.955
   99   2HB   ASP  12          1HB       ASP  12  11.761  -1.461   4.128
  100    H    LYS  13           H        LYS  13   8.656  -2.673   1.384
  101    HA   LYS  13           HA       LYS  13  10.782  -2.315  -0.633
  102   1HB   LYS  13          2HB       LYS  13   9.125  -4.738   0.046
  103   2HB   LYS  13          1HB       LYS  13   9.883  -4.572  -1.533
  104   1HG   LYS  13          2HG       LYS  13  11.378  -4.483   1.085
  105   2HG   LYS  13          1HG       LYS  13  11.195  -5.923   0.084
  106   1HD   LYS  13          2HD       LYS  13  12.327  -4.780  -1.772
  107   2HD   LYS  13          1HD       LYS  13  12.509  -3.336  -0.777
  108   1HE   LYS  13          2HE       LYS  13  13.954  -4.525   0.756
  109   2HE   LYS  13          1HE       LYS  13  13.679  -6.037  -0.107
  110   1HZ   LYS  13          1HZ       LYS  13  14.814  -5.170  -2.012
  111   2HZ   LYS  13          2HZ       LYS  13  15.806  -4.960  -0.659
  112   3HZ   LYS  13          3HZ       LYS  13  14.963  -3.643  -1.299
  113    H    SER  14           H        SER  14  10.197  -1.914  -2.746
  114    HA   SER  14           HA       SER  14   7.676  -0.636  -3.176
  115   1HB   SER  14          2HB       SER  14   9.806  -1.379  -5.203
  116   2HB   SER  14          1HB       SER  14   8.484  -0.242  -5.457
  117    HG   SER  14           HG       SER  14   9.656   1.234  -4.554
  118    H    ARG  15           H        ARG  15   8.832  -3.857  -3.645
  119    HA   ARG  15           HA       ARG  15   6.489  -4.549  -5.289
  120   1HB   ARG  15          2HB       ARG  15   8.894  -6.256  -4.593
  121   2HB   ARG  15          1HB       ARG  15   7.615  -6.665  -5.733
  122   1HG   ARG  15          2HG       ARG  15   8.271  -4.828  -7.175
  123   2HG   ARG  15          1HG       ARG  15   9.499  -4.335  -6.013
  124   1HD   ARG  15          2HD       ARG  15  10.572  -6.585  -6.327
  125   2HD   ARG  15          1HD       ARG  15   9.421  -6.885  -7.627
  126    HE   ARG  15           HE       ARG  15  11.591  -4.917  -7.644
  127   1HH1  ARG  15          1HH1      ARG  15   9.133  -6.636  -9.327
  128   2HH1  ARG  15          2HH1      ARG  15   9.633  -6.049 -10.872
  129   1HH2  ARG  15          1HH2      ARG  15  12.252  -4.215  -9.634
  130   2HH2  ARG  15          2HH2      ARG  15  11.381  -4.708 -11.043
  131    H    VAL  16           H        VAL  16   4.756  -5.122  -4.196
  132    HA   VAL  16           HA       VAL  16   5.056  -6.528  -1.605
  133    HB   VAL  16           HB       VAL  16   2.819  -4.632  -2.352
  134   1HG1  VAL  16          1HG1      VAL  16   3.536  -5.888   0.304
  135   2HG1  VAL  16          2HG1      VAL  16   2.188  -6.367  -0.726
  136   3HG1  VAL  16          3HG1      VAL  16   2.207  -4.765   0.008
  137   1HG2  VAL  16          1HG2      VAL  16   4.931  -3.416  -2.138
  138   2HG2  VAL  16          2HG2      VAL  16   5.202  -4.149  -0.557
  139   3HG2  VAL  16          3HG2      VAL  16   3.849  -3.042  -0.796
  140    H    ALA  17           H        ALA  17   4.034  -8.439  -1.391
  141    HA   ALA  17           HA       ALA  17   2.536  -9.560  -3.559
  142   1HB   ALA  17          1HB       ALA  17   2.378 -11.553  -2.201
  143   2HB   ALA  17          2HB       ALA  17   2.909 -10.662  -0.773
  144   3HB   ALA  17          3HB       ALA  17   4.017 -10.912  -2.122
  145    H    CYS  18           H        CYS  18   0.369  -9.882  -3.760
  146    HA   CYS  18           HA       CYS  18  -1.395  -9.018  -1.556
  147   1HB   CYS  18          2HB       CYS  18  -1.373  -7.307  -3.316
  148   2HB   CYS  18          1HB       CYS  18  -1.807  -8.519  -4.516
  149    HG   CYS  18           HG       CYS  18  -4.271  -9.054  -2.952
  150    H    ASP  19           H        ASP  19  -1.202 -11.399  -1.142
  151    HA   ASP  19           HA       ASP  19  -2.302 -13.279  -2.962
  152   1HB   ASP  19          2HB       ASP  19  -1.899 -13.522   0.032
  153   2HB   ASP  19          1HB       ASP  19  -2.194 -14.858  -1.082
  154    H    GLY  20           H        GLY  20  -3.665 -12.636   0.293
  155   1HA   GLY  20          2HA       GLY  20  -6.076 -11.562  -0.338
  156   2HA   GLY  20          1HA       GLY  20  -6.310 -13.265  -0.692
  157    H    GLY  21           H        GLY  21  -8.022 -12.593   1.000
  158   1HA   GLY  21          2HA       GLY  21  -6.968 -13.086   3.723
  159   2HA   GLY  21          1HA       GLY  21  -8.483 -12.269   3.366
  160    H    GLU  22           H        GLU  22 -10.327 -13.457   3.262
  161    HA   GLU  22           HA       GLU  22 -10.351 -16.181   4.040
  162   1HB   GLU  22          2HB       GLU  22 -12.567 -14.574   2.742
  163   2HB   GLU  22          1HB       GLU  22 -12.765 -16.094   3.605
  164   1HG   GLU  22          2HG       GLU  22 -11.976 -13.418   4.729
  165   2HG   GLU  22          1HG       GLU  22 -13.433 -14.352   5.067
  166    H    GLY  23           H        GLY  23 -11.532 -17.898   2.751
  167   1HA   GLY  23          2HA       GLY  23 -10.115 -18.791   0.606
  168   2HA   GLY  23          1HA       GLY  23 -11.791 -19.229   0.883
  169    H    ALA  24           H        ALA  24 -13.250 -17.105   0.242
  170    HA   ALA  24           HA       ALA  24 -13.225 -17.024  -2.566
  171   1HB   ALA  24          1HB       ALA  24 -14.605 -15.131  -0.662
  172   2HB   ALA  24          2HB       ALA  24 -15.243 -16.674  -1.228
  173   3HB   ALA  24          3HB       ALA  24 -14.988 -15.354  -2.369
  174    H    LEU  25           H        LEU  25 -11.709 -14.937  -0.207
  175    HA   LEU  25           HA       LEU  25 -11.013 -12.906  -2.188
  176   1HB   LEU  25          2HB       LEU  25 -10.300 -13.113   0.746
  177   2HB   LEU  25          1HB       LEU  25  -9.965 -11.736  -0.289
  178    HG   LEU  25           HG       LEU  25 -12.710 -12.730   0.504
  179   1HD1  LEU  25          1HD1      LEU  25 -11.200 -10.236   1.303
  180   2HD1  LEU  25          2HD1      LEU  25 -11.522 -11.636   2.331
  181   3HD1  LEU  25          3HD1      LEU  25 -12.859 -10.639   1.757
  182   1HD2  LEU  25          1HD2      LEU  25 -11.928 -10.337  -1.171
  183   2HD2  LEU  25          2HD2      LEU  25 -13.560 -10.737  -0.634
  184   3HD2  LEU  25          3HD2      LEU  25 -12.717 -11.802  -1.759
  185    H    GLY  26           H        GLY  26  -9.841 -15.875  -1.494
  186   1HA   GLY  26          2HA       GLY  26  -7.024 -15.343  -1.320
  187   2HA   GLY  26          1HA       GLY  26  -7.777 -16.902  -1.596
  188    H    HIS  27           H        HIS  27  -6.031 -14.364  -2.986
  189    HA   HIS  27           HA       HIS  27  -6.628 -15.165  -5.740
  190   1HB   HIS  27          2HB       HIS  27  -4.717 -13.009  -4.800
  191   2HB   HIS  27          1HB       HIS  27  -5.387 -13.212  -6.417
  192    HD1  HIS  27           HD1      HIS  27  -5.985 -11.481  -3.255
  193    HD2  HIS  27           HD2      HIS  27  -8.289 -12.719  -6.490
  194    HE1  HIS  27           HE1      HIS  27  -8.132 -10.183  -3.099
  195    HE2  HIS  27           HE2      HIS  27  -9.573 -11.115  -4.927
  196    HA   PRO  28           HA       PRO  28  -3.340 -18.011  -6.288
  197   1HB   PRO  28          2HB       PRO  28  -2.434 -16.410  -8.638
  198   2HB   PRO  28          1HB       PRO  28  -2.810 -18.132  -8.526
  199   1HG   PRO  28          2HG       PRO  28  -4.531 -16.457  -9.669
  200   2HG   PRO  28          1HG       PRO  28  -5.108 -17.772  -8.629
  201   1HD   PRO  28          2HD       PRO  28  -4.874 -14.845  -8.037
  202   2HD   PRO  28          1HD       PRO  28  -6.123 -16.002  -7.528
  203    H    ARG  29           H        ARG  29  -1.772 -15.047  -7.514
  204    HA   ARG  29           HA       ARG  29  -0.120 -14.482  -5.376
  205   1HB   ARG  29          2HB       ARG  29   0.832 -16.736  -5.815
  206   2HB   ARG  29          1HB       ARG  29   1.268 -16.220  -7.432
  207   1HG   ARG  29          2HG       ARG  29   2.295 -14.697  -5.069
  208   2HG   ARG  29          1HG       ARG  29   3.045 -16.211  -5.535
  209   1HD   ARG  29          2HD       ARG  29   3.260 -15.234  -7.863
  210   2HD   ARG  29          1HD       ARG  29   2.793 -13.696  -7.159
  211    HE   ARG  29           HE       ARG  29   4.952 -14.679  -5.694
  212   1HH1  ARG  29          1HH1      ARG  29   4.293 -13.623  -8.909
  213   2HH1  ARG  29          2HH1      ARG  29   5.880 -12.973  -9.137
  214   1HH2  ARG  29          1HH2      ARG  29   6.993 -13.825  -6.009
  215   2HH2  ARG  29          2HH2      ARG  29   7.381 -13.081  -7.520
  216    H    VAL  30           H        VAL  30  -0.598 -12.493  -6.039
  217    HA   VAL  30           HA       VAL  30   0.723 -11.496  -8.485
  218    HB   VAL  30           HB       VAL  30  -0.984  -9.697  -8.588
  219   1HG1  VAL  30          1HG1      VAL  30  -2.136 -12.493  -8.656
  220   2HG1  VAL  30          2HG1      VAL  30  -1.231 -11.720  -9.957
  221   3HG1  VAL  30          3HG1      VAL  30  -2.801 -11.078  -9.475
  222   1HG2  VAL  30          1HG2      VAL  30  -3.062  -9.905  -7.291
  223   2HG2  VAL  30          2HG2      VAL  30  -1.666  -9.667  -6.238
  224   3HG2  VAL  30          3HG2      VAL  30  -2.376 -11.272  -6.412
  225    H    TRP  31           H        TRP  31   2.104  -9.812  -8.281
  226    HA   TRP  31           HA       TRP  31   2.348  -8.538  -5.624
  227   1HB   TRP  31          2HB       TRP  31   4.484  -9.276  -7.638
  228   2HB   TRP  31          1HB       TRP  31   4.781  -8.174  -6.293
  229    HD1  TRP  31           HD       TRP  31   3.048 -11.661  -6.431
  230    HE1  TRP  31           HE1      TRP  31   4.083 -13.124  -4.589
  231    HE3  TRP  31           HE3      TRP  31   6.487  -8.344  -4.607
  232    HZ2  TRP  31           HZ2      TRP  31   6.111 -12.904  -2.630
  233    HZ3  TRP  31           HZ3      TRP  31   7.937  -9.050  -2.753
  234    HH2  TRP  31           HH       TRP  31   7.754 -11.285  -1.783
  235    H    LEU  32           H        LEU  32   2.099  -6.393  -5.519
  236    HA   LEU  32           HA       LEU  32   1.696  -4.909  -8.004
  237   1HB   LEU  32          2HB       LEU  32   1.080  -4.293  -5.120
  238   2HB   LEU  32          1HB       LEU  32   0.932  -3.085  -6.382
  239    HG   LEU  32           HG       LEU  32  -0.743  -4.531  -7.526
  240   1HD1  LEU  32          1HD1      LEU  32  -1.772  -6.385  -6.294
  241   2HD1  LEU  32          2HD1      LEU  32  -0.530  -6.241  -5.051
  242   3HD1  LEU  32          3HD1      LEU  32  -0.085  -6.706  -6.692
  243   1HD2  LEU  32          1HD2      LEU  32  -2.581  -4.088  -5.984
  244   2HD2  LEU  32          2HD2      LEU  32  -1.467  -2.724  -6.046
  245   3HD2  LEU  32          3HD2      LEU  32  -1.434  -3.830  -4.670
  246    H    GLN  33           H        GLN  33   2.679  -2.880  -8.417
  247    HA   GLN  33           HA       GLN  33   5.346  -2.580  -7.179
  248   1HB   GLN  33          2HB       GLN  33   5.346  -3.157  -9.585
  249   2HB   GLN  33          1HB       GLN  33   4.387  -1.726  -9.931
  250   1HG   GLN  33          2HG       GLN  33   6.680  -1.312 -10.502
  251   2HG   GLN  33          1HG       GLN  33   6.245  -0.317  -9.112
  252   1HE2  GLN  33          1HE2      GLN  33   7.206  -0.725  -7.140
  253   2HE2  GLN  33          2HE2      GLN  33   8.569  -1.772  -6.970
  254    H    ILE  34           H        ILE  34   5.282  -1.000  -5.682
  255    HA   ILE  34           HA       ILE  34   3.453   1.190  -5.744
  256    HB   ILE  34           HB       ILE  34   5.935   0.777  -4.060
  257   1HG1  ILE  34          2HG1      ILE  34   3.005   0.354  -3.406
  258   2HG1  ILE  34          1HG1      ILE  34   4.169  -0.925  -3.729
  259   1HG2  ILE  34          1HG2      ILE  34   5.028   2.514  -2.578
  260   2HG2  ILE  34          2HG2      ILE  34   3.717   2.803  -3.723
  261   3HG2  ILE  34          3HG2      ILE  34   5.384   3.148  -4.184
  262   1HD1  ILE  34          1HD1      ILE  34   4.269   1.015  -1.433
  263   2HD1  ILE  34          2HD1      ILE  34   5.432  -0.276  -1.751
  264   3HD1  ILE  34          3HD1      ILE  34   3.758  -0.670  -1.356
  265    HA   PRO  35           HA       PRO  35   6.112   3.854  -8.277
  266   1HB   PRO  35          2HB       PRO  35   4.281   5.676  -8.915
  267   2HB   PRO  35          1HB       PRO  35   4.140   4.024  -9.539
  268   1HG   PRO  35          2HG       PRO  35   2.737   5.288  -7.204
  269   2HG   PRO  35          1HG       PRO  35   2.046   4.300  -8.499
  270   1HD   PRO  35          2HD       PRO  35   2.742   3.317  -6.022
  271   2HD   PRO  35          1HD       PRO  35   2.683   2.330  -7.496
  272    H    GLU  36           H        GLU  36   7.555   5.266  -7.406
  273    HA   GLU  36           HA       GLU  36   7.259   6.605  -4.960
  274   1HB   GLU  36          2HB       GLU  36   9.065   7.506  -7.220
  275   2HB   GLU  36          1HB       GLU  36   9.271   7.834  -5.509
  276   1HG   GLU  36          2HG       GLU  36  10.757   6.144  -5.675
  277   2HG   GLU  36          1HG       GLU  36   9.318   5.158  -5.421
  278    H    ASP  37           H        ASP  37   6.158   7.400  -8.094
  279    HA   ASP  37           HA       ASP  37   5.823  10.162  -7.999
  280   1HB   ASP  37          2HB       ASP  37   3.954   8.165  -9.303
  281   2HB   ASP  37          1HB       ASP  37   4.219   9.840  -9.781
  282    H    THR  38           H        THR  38   3.908   7.591  -6.568
  283    HA   THR  38           HA       THR  38   2.029   9.578  -5.427
  284    HB   THR  38           HB       THR  38   0.413   7.784  -5.147
  285    HG1  THR  38           HG1      THR  38   0.883   5.675  -5.605
  286   1HG2  THR  38          1HG2      THR  38  -0.053   7.208  -7.484
  287   2HG2  THR  38          2HG2      THR  38   1.578   7.703  -7.936
  288   3HG2  THR  38          3HG2      THR  38   0.430   8.900  -7.336
  289    H    GLY  39           H        GLY  39   3.796   6.578  -4.719
  290   1HA   GLY  39          2HA       GLY  39   5.068   6.234  -2.733
  291   2HA   GLY  39          1HA       GLY  39   4.053   7.408  -1.908
  292    H    TRP  40           H        TRP  40   2.055   5.484  -3.710
  293    HA   TRP  40           HA       TRP  40   1.769   3.291  -1.832
  294   1HB   TRP  40          2HB       TRP  40  -0.523   3.879  -1.156
  295   2HB   TRP  40          1HB       TRP  40   0.618   5.123  -0.649
  296    HD1  TRP  40           HD       TRP  40   0.534   7.481  -2.004
  297    HE1  TRP  40           HE1      TRP  40  -1.379   8.613  -3.301
  298    HE3  TRP  40           HE3      TRP  40  -2.542   3.442  -2.616
  299    HZ2  TRP  40           HZ2      TRP  40  -3.848   7.897  -4.432
  300    HZ3  TRP  40           HZ3      TRP  40  -4.663   3.756  -3.828
  301    HH2  TRP  40           HH       TRP  40  -5.297   5.936  -4.713
  302    H    VAL  41           H        VAL  41   0.090   1.754  -2.486
  303    HA   VAL  41           HA       VAL  41  -1.275   2.249  -5.018
  304    HB   VAL  41           HB       VAL  41   0.843   1.165  -5.698
  305   1HG1  VAL  41          1HG1      VAL  41   1.333  -1.143  -5.101
  306   2HG1  VAL  41          2HG1      VAL  41  -0.086  -1.194  -4.056
  307   3HG1  VAL  41          3HG1      VAL  41   1.264  -0.131  -3.660
  308   1HG2  VAL  41          1HG2      VAL  41  -1.605  -0.569  -6.063
  309   2HG2  VAL  41          2HG2      VAL  41  -0.149  -0.641  -7.050
  310   3HG2  VAL  41          3HG2      VAL  41  -1.144   0.814  -7.056
  311    H    GLU  42           H        GLU  42  -3.338   1.568  -4.870
  312    HA   GLU  42           HA       GLU  42  -4.064  -0.171  -2.622
  313   1HB   GLU  42          2HB       GLU  42  -6.359   0.540  -3.005
  314   2HB   GLU  42          1HB       GLU  42  -5.305   1.940  -2.887
  315   1HG   GLU  42          2HG       GLU  42  -5.323   2.167  -5.326
  316   2HG   GLU  42          1HG       GLU  42  -6.362   0.747  -5.452
  317    H    CYS  43           H        CYS  43  -5.125  -2.130  -2.842
  318    HA   CYS  43           HA       CYS  43  -4.644  -3.581  -5.252
  319   1HB   CYS  43          2HB       CYS  43  -4.560  -4.775  -3.161
  320   2HB   CYS  43          1HB       CYS  43  -6.220  -4.321  -2.779
  321    HG   CYS  43           HG       CYS  43  -5.640  -7.108  -3.697
  322    HA   PRO  44           HA       PRO  44  -8.500  -2.573  -7.286
  323   1HB   PRO  44          2HB       PRO  44  -8.221  -4.150  -9.456
  324   2HB   PRO  44          1HB       PRO  44  -7.250  -2.689  -9.230
  325   1HG   PRO  44          2HG       PRO  44  -6.510  -5.552  -8.720
  326   2HG   PRO  44          1HG       PRO  44  -5.558  -4.270  -9.491
  327   1HD   PRO  44          2HD       PRO  44  -5.233  -5.023  -6.880
  328   2HD   PRO  44          1HD       PRO  44  -4.884  -3.388  -7.476
  329    H    TYR  45           H        TYR  45  -7.820  -5.430  -5.691
  330    HA   TYR  45           HA       TYR  45 -10.281  -6.778  -6.561
  331   1HB   TYR  45          2HB       TYR  45  -8.020  -7.812  -4.829
  332   2HB   TYR  45          1HB       TYR  45  -9.434  -8.740  -5.314
  333    HD1  TYR  45           HD2      TYR  45  -9.824  -9.037  -7.854
  334    HD2  TYR  45           HD1      TYR  45  -6.104  -7.801  -6.186
  335    HE1  TYR  45           HE2      TYR  45  -8.678  -9.727  -9.914
  336    HE2  TYR  45           HE1      TYR  45  -4.951  -8.486  -8.245
  337    HH   TYR  45           HH       TYR  45  -6.578  -9.169 -11.122
  338    H    CYS  46           H        CYS  46  -8.874  -7.035  -3.309
  339    HA   CYS  46           HA       CYS  46 -10.808  -5.367  -2.021
  340   1HB   CYS  46          2HB       CYS  46 -12.268  -7.264  -2.748
  341   2HB   CYS  46          1HB       CYS  46 -11.284  -8.349  -1.779
  342    HG   CYS  46           HG       CYS  46 -11.904  -7.038   0.647
  343    H    ASP  47           H        ASP  47  -7.907  -6.196  -1.968
  344    HA   ASP  47           HA       ASP  47  -7.588  -7.533   0.588
  345   1HB   ASP  47          2HB       ASP  47  -5.457  -6.515  -1.306
  346   2HB   ASP  47          1HB       ASP  47  -5.241  -7.666   0.013
  347    H    CYS  48           H        CYS  48  -5.459  -4.884  -0.472
  348    HA   CYS  48           HA       CYS  48  -6.331  -3.130   1.676
  349   1HB   CYS  48          2HB       CYS  48  -3.595  -4.436   1.769
  350   2HB   CYS  48          1HB       CYS  48  -4.082  -3.073   2.771
  351    HG   CYS  48           HG       CYS  48  -4.650  -6.325   3.164
  352    H    LYS  49           H        LYS  49  -4.641  -1.265   1.922
  353    HA   LYS  49           HA       LYS  49  -3.692  -0.409  -0.745
  354   1HB   LYS  49          2HB       LYS  49  -5.442   1.030   0.219
  355   2HB   LYS  49          1HB       LYS  49  -4.474   1.257   1.670
  356   1HG   LYS  49          2HG       LYS  49  -2.744   2.380   0.303
  357   2HG   LYS  49          1HG       LYS  49  -3.776   2.198  -1.116
  358   1HD   LYS  49          2HD       LYS  49  -4.478   3.741   1.394
  359   2HD   LYS  49          1HD       LYS  49  -3.954   4.449  -0.136
  360   1HE   LYS  49          2HE       LYS  49  -5.943   3.502  -1.239
  361   2HE   LYS  49          1HE       LYS  49  -6.461   2.813   0.298
  362   1HZ   LYS  49          1HZ       LYS  49  -6.583   5.074   1.195
  363   2HZ   LYS  49          2HZ       LYS  49  -7.619   4.862  -0.127
  364   3HZ   LYS  49          3HZ       LYS  49  -6.170   5.702  -0.320
  365    H    TYR  50           H        TYR  50  -1.504  -0.283  -0.998
  366    HA   TYR  50           HA       TYR  50   0.112  -0.764   1.418
  367   1HB   TYR  50          2HB       TYR  50   0.855  -1.318  -1.468
  368   2HB   TYR  50          1HB       TYR  50   1.706  -1.873  -0.027
  369    HD1  TYR  50           HD1      TYR  50   0.556  -3.535   1.498
  370    HD2  TYR  50           HD2      TYR  50  -0.966  -2.553  -2.355
  371    HE1  TYR  50           HE1      TYR  50  -0.821  -5.570   1.527
  372    HE2  TYR  50           HE2      TYR  50  -2.349  -4.587  -2.334
  373    HH   TYR  50           HH       TYR  50  -2.438  -6.752  -1.252
  374    H    VAL  51           H        VAL  51   1.218   0.918   2.174
  375    HA   VAL  51           HA       VAL  51   2.135   3.021   0.315
  376    HB   VAL  51           HB       VAL  51   1.824   3.103   3.328
  377   1HG1  VAL  51          1HG1      VAL  51   3.672   4.527   2.615
  378   2HG1  VAL  51          2HG1      VAL  51   2.301   5.512   3.130
  379   3HG1  VAL  51          3HG1      VAL  51   2.639   5.299   1.411
  380   1HG2  VAL  51          1HG2      VAL  51  -0.023   4.653   2.886
  381   2HG2  VAL  51          2HG2      VAL  51  -0.316   3.087   2.129
  382   3HG2  VAL  51          3HG2      VAL  51   0.214   4.452   1.149
  383    H    LEU  52           H        LEU  52   4.272   3.467   0.043
  384    HA   LEU  52           HA       LEU  52   6.196   1.609   1.198
  385   1HB   LEU  52          2HB       LEU  52   6.266   2.100  -1.200
  386   2HB   LEU  52          1HB       LEU  52   6.546   3.796  -0.860
  387    HG   LEU  52           HG       LEU  52   8.725   3.244   0.145
  388   1HD1  LEU  52          1HD1      LEU  52   8.092   0.412  -0.683
  389   2HD1  LEU  52          2HD1      LEU  52   8.238   1.013   0.969
  390   3HD1  LEU  52          3HD1      LEU  52   9.651   0.983  -0.083
  391   1HD2  LEU  52          1HD2      LEU  52   9.881   2.596  -1.927
  392   2HD2  LEU  52          2HD2      LEU  52   8.641   3.816  -2.220
  393   3HD2  LEU  52          3HD2      LEU  52   8.336   2.128  -2.637
  394    H    LYS  53           H        LYS  53   7.358   2.034   2.944
  395    HA   LYS  53           HA       LYS  53   7.294   4.522   4.312
  396   1HB   LYS  53          2HB       LYS  53   7.787   2.004   5.105
  397   2HB   LYS  53          1HB       LYS  53   9.450   2.531   4.903
  398   1HG   LYS  53          2HG       LYS  53   7.399   3.874   6.664
  399   2HG   LYS  53          1HG       LYS  53   8.646   2.756   7.211
  400   1HD   LYS  53          2HD       LYS  53  10.387   4.290   6.536
  401   2HD   LYS  53          1HD       LYS  53   9.200   5.375   5.812
  402   1HE   LYS  53          2HE       LYS  53   9.419   4.687   8.746
  403   2HE   LYS  53          1HE       LYS  53   9.936   6.195   7.995
  404   1HZ   LYS  53          1HZ       LYS  53   7.592   6.531   7.299
  405   2HZ   LYS  53          2HZ       LYS  53   7.808   6.521   8.979
  406   3HZ   LYS  53          3HZ       LYS  53   7.160   5.168   8.208
  407    H    GLY  54           H        GLY  54   8.618   6.261   4.162
  408   1HA   GLY  54          2HA       GLY  54  10.519   7.508   3.643
  409   2HA   GLY  54          1HA       GLY  54  11.247   6.078   2.931
  410    H    SER  55           H        SER  55   8.081   6.630   1.824
  411    HA   SER  55           HA       SER  55   9.111   7.849  -0.663
  412   1HB   SER  55          2HB       SER  55   8.127   5.559  -0.865
  413   2HB   SER  55          1HB       SER  55   6.585   6.209  -0.312
  414    HG   SER  55           HG       SER  55   7.929   6.599  -2.741
  415    H    LYS  56           H        LYS  56   6.857   8.735  -1.867
  416    HA   LYS  56           HA       LYS  56   6.516  11.267  -0.741
  417   1HB   LYS  56          2HB       LYS  56   6.170  10.828  -3.114
  418   2HB   LYS  56          1HB       LYS  56   4.769   9.826  -2.751
  419   1HG   LYS  56          2HG       LYS  56   3.602  11.788  -1.851
  420   2HG   LYS  56          1HG       LYS  56   5.003  12.792  -2.231
  421   1HD   LYS  56          2HD       LYS  56   4.723  12.226  -4.624
  422   2HD   LYS  56          1HD       LYS  56   3.290  11.280  -4.213
  423   1HE   LYS  56          2HE       LYS  56   2.617  13.456  -5.013
  424   2HE   LYS  56          1HE       LYS  56   2.240  13.317  -3.296
  425   1HZ   LYS  56          1HZ       LYS  56   4.340  14.542  -2.854
  426   2HZ   LYS  56          2HZ       LYS  56   3.191  15.449  -3.694
  427   3HZ   LYS  56          3HZ       LYS  56   4.508  14.790  -4.517
  428    H    ALA  57           H        ALA  57   4.260   8.508  -0.659
  429    HA   ALA  57           HA       ALA  57   2.239   9.930   0.779
  430   1HB   ALA  57          1HB       ALA  57   1.699   8.074  -0.727
  431   2HB   ALA  57          2HB       ALA  57   1.082   7.794   0.903
  432   3HB   ALA  57          3HB       ALA  57   2.536   6.959   0.356
  433    H    ASP  58           H        ASP  58   5.138   8.453   1.803
  434    HA   ASP  58           HA       ASP  58   4.266   7.544   4.371
  435   1HB   ASP  58          2HB       ASP  58   6.274   6.604   3.346
  436   2HB   ASP  58          1HB       ASP  58   7.053   8.184   3.377
  437    H    ALA  59           H        ALA  59   3.075   9.349   5.117
  438    HA   ALA  59           HA       ALA  59   4.695  11.098   6.779
  439   1HB   ALA  59          1HB       ALA  59   3.622  13.168   6.043
  440   2HB   ALA  59          2HB       ALA  59   2.710  12.284   4.821
  441   3HB   ALA  59          3HB       ALA  59   4.464  12.399   4.696
  442    H    LEU  60           H        LEU  60   2.594   8.896   6.894
  443    HA   LEU  60           HA       LEU  60   0.676  10.259   8.673
  444   1HB   LEU  60          2HB       LEU  60  -1.016   8.536   7.842
  445   2HB   LEU  60          1HB       LEU  60  -0.617   9.863   6.772
  446    HG   LEU  60           HG       LEU  60   0.959   8.300   5.558
  447   1HD1  LEU  60          1HD1      LEU  60   0.585   5.883   5.823
  448   2HD1  LEU  60          2HD1      LEU  60  -0.418   6.205   7.238
  449   3HD1  LEU  60          3HD1      LEU  60   1.296   6.615   7.259
  450   1HD2  LEU  60          1HD2      LEU  60  -0.836   7.155   4.332
  451   2HD2  LEU  60          2HD2      LEU  60  -1.225   8.842   4.652
  452   3HD2  LEU  60          3HD2      LEU  60  -1.970   7.569   5.615
  453    H    GLU  61           H        GLU  61   3.185   8.446   8.992
  454    HA   GLU  61           HA       GLU  61   2.432   5.950   9.992
  455   1HB   GLU  61          2HB       GLU  61   4.625   5.913  11.123
  456   2HB   GLU  61          1HB       GLU  61   4.741   6.447   9.453
  457   1HG   GLU  61          2HG       GLU  61   4.920   8.771  10.205
  458   2HG   GLU  61          1HG       GLU  61   4.795   8.238  11.882
  459    H    HIS  62           H        HIS  62   1.730   5.201  11.932
  460    HA   HIS  62           HA       HIS  62   0.751   7.203  13.824
  461   1HB   HIS  62          2HB       HIS  62   0.188   4.229  13.660
  462   2HB   HIS  62          1HB       HIS  62  -0.618   5.373  14.729
  463    HD1  HIS  62           HD1      HIS  62  -0.802   3.919  11.385
  464    HD2  HIS  62           HD2      HIS  62  -2.245   7.328  13.275
  465    HE1  HIS  62           HE1      HIS  62  -2.622   4.793   9.892
  466    HE2  HIS  62           HE2      HIS  62  -3.427   6.901  11.007
  467    H    HIS  63           H        HIS  63   2.019   7.715  15.490
  468    HA   HIS  63           HA       HIS  63   4.127   5.911  16.340
  469   1HB   HIS  63          2HB       HIS  63   3.385   8.674  17.347
  470   2HB   HIS  63          1HB       HIS  63   4.822   7.775  17.816
  471    HD1  HIS  63           HD1      HIS  63   6.841   8.044  16.366
  472    HD2  HIS  63           HD2      HIS  63   3.395   9.473  14.546
  473    HE1  HIS  63           HE1      HIS  63   7.616   9.218  14.287
  474    HE2  HIS  63           HE2      HIS  63   5.530  10.202  13.288
  475    H    HIS  64           H        HIS  64   2.578   4.253  17.099
  476    HA   HIS  64           HA       HIS  64   1.603   3.042  18.758
  477   1HB   HIS  64          2HB       HIS  64   2.445   5.338  20.548
  478   2HB   HIS  64          1HB       HIS  64   1.710   3.850  21.130
  479    HD1  HIS  64           HD1      HIS  64   4.824   5.183  21.308
  480    HD2  HIS  64           HD2      HIS  64   3.482   1.635  19.610
  481    HE1  HIS  64           HE1      HIS  64   6.827   3.675  21.227
  482    HE2  HIS  64           HE2      HIS  64   5.929   1.469  20.423
  483    H    HIS  65           H        HIS  65   0.724   6.482  19.004
  484    HA   HIS  65           HA       HIS  65  -1.736   6.352  20.183
  485   1HB   HIS  65          2HB       HIS  65  -0.671   8.459  19.698
  486   2HB   HIS  65          1HB       HIS  65  -0.788   8.177  17.966
  487    HD1  HIS  65           HD1      HIS  65  -3.003   8.735  16.824
  488    HD2  HIS  65           HD2      HIS  65  -3.110   9.238  20.947
  489    HE1  HIS  65           HE1      HIS  65  -5.128   9.970  17.295
  490    HE2  HIS  65           HE2      HIS  65  -5.285  10.036  19.799
  491    H    HIS  66           H        HIS  66  -3.609   5.431  19.722
  492    HA   HIS  66           HA       HIS  66  -4.333   4.941  16.894
  493   1HB   HIS  66          2HB       HIS  66  -3.937   2.870  18.249
  494   2HB   HIS  66          1HB       HIS  66  -5.244   3.358  19.319
  495    HD1  HIS  66           HD1      HIS  66  -4.569   1.846  15.984
  496    HD2  HIS  66           HD2      HIS  66  -7.848   3.062  18.234
  497    HE1  HIS  66           HE1      HIS  66  -6.572   0.864  14.841
  498    HE2  HIS  66           HE2      HIS  66  -8.544   1.768  16.105
  499    H    HIS  67           H        HIS  67  -5.762   5.520  20.128
  500    HA   HIS  67           HA       HIS  67  -8.094   6.792  18.891
  501   1HB   HIS  67          2HB       HIS  67  -8.568   5.216  20.680
  502   2HB   HIS  67          1HB       HIS  67  -7.507   6.092  21.779
  503    HD1  HIS  67           HD1      HIS  67 -10.772   6.570  19.913
  504    HD2  HIS  67           HD2      HIS  67  -8.717   8.108  23.178
  505    HE1  HIS  67           HE1      HIS  67 -12.367   8.151  21.016
  506    HE2  HIS  67           HE2      HIS  67 -11.014   9.248  22.827
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -6.617   1.225  19.307
    2   2H    MET   1          2H        MET   1  -5.770   2.184  20.410
    3   3H    MET   1          3H        MET   1  -5.275   2.116  18.799
    4    HA   MET   1           HA       MET   1  -7.836   3.226  19.780
    5   1HB   MET   1          2HB       MET   1  -6.032   4.688  20.397
    6   2HB   MET   1          1HB       MET   1  -5.308   4.563  18.798
    7   1HG   MET   1          2HG       MET   1  -6.471   6.705  19.188
    8   2HG   MET   1          1HG       MET   1  -7.115   5.801  17.817
    9   1HE   MET   1          1HE       MET   1  -9.328   7.129  17.686
   10   2HE   MET   1          2HE       MET   1  -8.782   8.198  18.978
   11   3HE   MET   1          3HE       MET   1 -10.384   7.463  19.058
   12    H    THR   2           H        THR   2  -5.692   3.520  16.895
   13    HA   THR   2           HA       THR   2  -8.082   3.056  15.197
   14    HB   THR   2           HB       THR   2  -5.887   4.978  14.393
   15    HG1  THR   2           HG1      THR   2  -6.686   6.451  15.679
   16   1HG2  THR   2          1HG2      THR   2  -8.790   4.717  13.574
   17   2HG2  THR   2          2HG2      THR   2  -7.394   4.210  12.625
   18   3HG2  THR   2          3HG2      THR   2  -7.657   5.921  12.963
   19    H    ILE   3           H        ILE   3  -5.539   1.509  16.095
   20    HA   ILE   3           HA       ILE   3  -4.180  -0.104  15.251
   21    HB   ILE   3           HB       ILE   3  -5.560   0.403  12.600
   22   1HG1  ILE   3          2HG1      ILE   3  -6.123  -1.676  14.739
   23   2HG1  ILE   3          1HG1      ILE   3  -7.130  -0.277  14.388
   24   1HG2  ILE   3          1HG2      ILE   3  -3.435  -0.749  12.286
   25   2HG2  ILE   3          2HG2      ILE   3  -4.779  -1.849  11.985
   26   3HG2  ILE   3          3HG2      ILE   3  -3.883  -1.946  13.502
   27   1HD1  ILE   3          1HD1      ILE   3  -6.586  -2.586  12.531
   28   2HD1  ILE   3          2HD1      ILE   3  -7.587  -1.182  12.159
   29   3HD1  ILE   3          3HD1      ILE   3  -8.072  -2.295  13.438
   30    H    GLN   4           H        GLN   4  -4.250   3.027  13.819
   31    HA   GLN   4           HA       GLN   4  -2.753   4.377  12.826
   32   1HB   GLN   4          2HB       GLN   4  -0.714   2.390  13.872
   33   2HB   GLN   4          1HB       GLN   4  -0.342   3.989  13.237
   34   1HG   GLN   4          2HG       GLN   4  -1.695   4.994  15.041
   35   2HG   GLN   4          1HG       GLN   4  -1.991   3.385  15.689
   36   1HE2  GLN   4          1HE2      GLN   4   1.063   4.427  14.327
   37   2HE2  GLN   4          2HE2      GLN   4   1.940   4.392  15.811
   38    H    ALA   5           H        ALA   5  -3.804   1.799  11.545
   39    HA   ALA   5           HA       ALA   5  -2.465   2.183   8.998
   40   1HB   ALA   5          1HB       ALA   5  -2.507  -0.524  10.343
   41   2HB   ALA   5          2HB       ALA   5  -1.081   0.460  10.017
   42   3HB   ALA   5          3HB       ALA   5  -2.009  -0.220   8.679
   43    HA   PRO   6           HA       PRO   6  -7.121   1.076   9.130
   44   1HB   PRO   6          2HB       PRO   6  -8.095   3.450   8.180
   45   2HB   PRO   6          1HB       PRO   6  -7.879   3.105   9.900
   46   1HG   PRO   6          2HG       PRO   6  -6.100   4.638   8.037
   47   2HG   PRO   6          1HG       PRO   6  -6.573   5.024   9.704
   48   1HD   PRO   6          2HD       PRO   6  -4.172   3.927   9.107
   49   2HD   PRO   6          1HD       PRO   6  -5.029   3.557  10.618
   50    H    GLU   7           H        GLU   7  -6.568  -0.346   7.444
   51    HA   GLU   7           HA       GLU   7  -6.565  -1.181   5.332
   52   1HB   GLU   7          2HB       GLU   7  -8.758   0.029   5.228
   53   2HB   GLU   7          1HB       GLU   7  -7.923   1.410   4.538
   54   1HG   GLU   7          2HG       GLU   7  -7.387   0.201   2.560
   55   2HG   GLU   7          1HG       GLU   7  -7.923  -1.319   3.275
   56    H    THR   8           H        THR   8  -4.522   0.712   6.378
   57    HA   THR   8           HA       THR   8  -3.141   1.429   3.862
   58    HB   THR   8           HB       THR   8  -3.006   2.916   6.508
   59    HG1  THR   8           HG1      THR   8  -4.958   3.226   5.196
   60   1HG2  THR   8          1HG2      THR   8  -1.711   3.533   3.849
   61   2HG2  THR   8          2HG2      THR   8  -0.876   3.001   5.308
   62   3HG2  THR   8          3HG2      THR   8  -1.674   4.573   5.267
   63    H    LYS   9           H        LYS   9  -1.435   0.074   3.619
   64    HA   LYS   9           HA       LYS   9  -0.317  -1.179   6.033
   65   1HB   LYS   9          2HB       LYS   9  -1.271  -2.296   3.659
   66   2HB   LYS   9          1HB       LYS   9   0.475  -2.390   3.492
   67   1HG   LYS   9          2HG       LYS   9  -1.099  -3.460   5.838
   68   2HG   LYS   9          1HG       LYS   9  -0.521  -4.420   4.477
   69   1HD   LYS   9          2HD       LYS   9   1.794  -3.876   5.054
   70   2HD   LYS   9          1HD       LYS   9   1.235  -2.869   6.392
   71   1HE   LYS   9          2HE       LYS   9   0.350  -4.776   7.544
   72   2HE   LYS   9          1HE       LYS   9   0.638  -5.817   6.150
   73   1HZ   LYS   9          1HZ       LYS   9   3.035  -5.396   6.445
   74   2HZ   LYS   9          2HZ       LYS   9   2.335  -6.193   7.759
   75   3HZ   LYS   9          3HZ       LYS   9   2.693  -4.546   7.868
   76    H    ILE  10           H        ILE  10   1.569  -0.421   6.707
   77    HA   ILE  10           HA       ILE  10   3.194   1.257   4.991
   78    HB   ILE  10           HB       ILE  10   3.556   0.466   7.897
   79   1HG1  ILE  10          2HG1      ILE  10   3.042   2.930   8.259
   80   2HG1  ILE  10          1HG1      ILE  10   2.574   3.009   6.566
   81   1HG2  ILE  10          1HG2      ILE  10   5.730   0.888   6.905
   82   2HG2  ILE  10          2HG2      ILE  10   5.296   2.212   7.984
   83   3HG2  ILE  10          3HG2      ILE  10   5.160   2.418   6.238
   84   1HD1  ILE  10          1HD1      ILE  10   0.662   2.801   8.070
   85   2HD1  ILE  10          2HD1      ILE  10   1.282   1.252   8.639
   86   3HD1  ILE  10          3HD1      ILE  10   0.784   1.439   6.958
   87    H    VAL  11           H        VAL  11   4.342   0.132   3.504
   88    HA   VAL  11           HA       VAL  11   5.833  -2.273   4.342
   89    HB   VAL  11           HB       VAL  11   6.090  -2.757   1.938
   90   1HG1  VAL  11          1HG1      VAL  11   4.190  -3.709   3.106
   91   2HG1  VAL  11          2HG1      VAL  11   3.713  -3.269   1.466
   92   3HG1  VAL  11          3HG1      VAL  11   3.244  -2.247   2.826
   93   1HG2  VAL  11          1HG2      VAL  11   6.078  -0.471   1.080
   94   2HG2  VAL  11          2HG2      VAL  11   4.380  -0.299   1.530
   95   3HG2  VAL  11          3HG2      VAL  11   4.848  -1.448   0.274
   96    H    ASP  12           H        ASP  12   7.997  -2.575   3.167
   97    HA   ASP  12           HA       ASP  12   9.525  -0.085   3.554
   98   1HB   ASP  12          2HB       ASP  12  11.478  -1.606   3.928
   99   2HB   ASP  12          1HB       ASP  12  10.177  -1.794   5.101
  100    H    LYS  13           H        LYS  13   8.707  -2.403   1.117
  101    HA   LYS  13           HA       LYS  13  10.580  -1.072  -0.736
  102   1HB   LYS  13          2HB       LYS  13   9.996  -4.036  -0.603
  103   2HB   LYS  13          1HB       LYS  13  10.860  -3.257  -1.925
  104   1HG   LYS  13          2HG       LYS  13  12.601  -2.532  -0.368
  105   2HG   LYS  13          1HG       LYS  13  11.731  -3.300   0.961
  106   1HD   LYS  13          2HD       LYS  13  11.972  -5.483  -0.186
  107   2HD   LYS  13          1HD       LYS  13  12.915  -4.686  -1.450
  108   1HE   LYS  13          2HE       LYS  13  14.587  -4.024   0.214
  109   2HE   LYS  13          1HE       LYS  13  13.642  -4.809   1.481
  110   1HZ   LYS  13          1HZ       LYS  13  14.948  -6.129  -0.833
  111   2HZ   LYS  13          2HZ       LYS  13  13.934  -6.918   0.267
  112   3HZ   LYS  13          3HZ       LYS  13  15.398  -6.253   0.793
  113    H    SER  14           H        SER  14   9.987  -1.417  -3.063
  114    HA   SER  14           HA       SER  14   7.247  -0.553  -3.365
  115   1HB   SER  14          2HB       SER  14   9.352  -0.903  -5.515
  116   2HB   SER  14          1HB       SER  14   7.861   0.030  -5.639
  117    HG   SER  14           HG       SER  14   9.049   1.632  -4.951
  118    H    ARG  15           H        ARG  15   9.121  -3.390  -4.389
  119    HA   ARG  15           HA       ARG  15   6.860  -4.464  -5.879
  120   1HB   ARG  15          2HB       ARG  15   9.215  -4.728  -6.685
  121   2HB   ARG  15          1HB       ARG  15   9.545  -5.741  -5.286
  122   1HG   ARG  15          2HG       ARG  15   9.158  -7.116  -7.236
  123   2HG   ARG  15          1HG       ARG  15   7.856  -7.351  -6.072
  124   1HD   ARG  15          2HD       ARG  15   6.382  -5.942  -7.344
  125   2HD   ARG  15          1HD       ARG  15   7.691  -5.479  -8.433
  126    HE   ARG  15           HE       ARG  15   7.609  -8.135  -8.773
  127   1HH1  ARG  15          1HH1      ARG  15   5.075  -5.805  -8.715
  128   2HH1  ARG  15          2HH1      ARG  15   4.126  -6.650  -9.890
  129   1HH2  ARG  15          1HH2      ARG  15   6.384  -9.200 -10.288
  130   2HH2  ARG  15          2HH2      ARG  15   4.860  -8.537 -10.773
  131    H    VAL  16           H        VAL  16   5.229  -5.304  -4.684
  132    HA   VAL  16           HA       VAL  16   5.910  -6.995  -2.351
  133    HB   VAL  16           HB       VAL  16   3.717  -4.904  -2.413
  134   1HG1  VAL  16          1HG1      VAL  16   3.354  -5.490  -0.058
  135   2HG1  VAL  16          2HG1      VAL  16   4.569  -6.764  -0.183
  136   3HG1  VAL  16          3HG1      VAL  16   3.075  -6.875  -1.113
  137   1HG2  VAL  16          1HG2      VAL  16   5.031  -3.766  -0.666
  138   2HG2  VAL  16          2HG2      VAL  16   5.907  -3.870  -2.195
  139   3HG2  VAL  16          3HG2      VAL  16   6.317  -4.960  -0.867
  140    H    ALA  17           H        ALA  17   4.826  -8.884  -2.226
  141    HA   ALA  17           HA       ALA  17   2.793  -9.612  -4.141
  142   1HB   ALA  17          1HB       ALA  17   4.422 -11.245  -3.245
  143   2HB   ALA  17          2HB       ALA  17   2.751 -11.751  -2.994
  144   3HB   ALA  17          3HB       ALA  17   3.683 -11.083  -1.652
  145    H    CYS  18           H        CYS  18   0.750  -8.956  -3.970
  146    HA   CYS  18           HA       CYS  18  -0.373  -8.415  -1.286
  147   1HB   CYS  18          2HB       CYS  18  -0.990  -6.945  -3.862
  148   2HB   CYS  18          1HB       CYS  18  -1.638  -6.573  -2.267
  149    HG   CYS  18           HG       CYS  18   1.647  -6.278  -3.185
  150    H    ASP  19           H        ASP  19  -2.978  -7.907  -2.009
  151    HA   ASP  19           HA       ASP  19  -4.973  -8.792  -2.579
  152   1HB   ASP  19          2HB       ASP  19  -3.223 -10.025  -4.686
  153   2HB   ASP  19          1HB       ASP  19  -4.934 -10.425  -4.597
  154    H    GLY  20           H        GLY  20  -2.723 -10.554  -1.001
  155   1HA   GLY  20          2HA       GLY  20  -4.475 -12.056   0.434
  156   2HA   GLY  20          1HA       GLY  20  -4.115 -13.086  -0.939
  157    H    GLY  21           H        GLY  21  -3.510 -14.134   1.426
  158   1HA   GLY  21          2HA       GLY  21  -0.816 -14.833   1.185
  159   2HA   GLY  21          1HA       GLY  21  -0.895 -13.568   2.394
  160    H    GLU  22           H        GLU  22  -3.659 -15.629   2.320
  161    HA   GLU  22           HA       GLU  22  -2.755 -16.866   4.823
  162   1HB   GLU  22          2HB       GLU  22  -5.240 -17.355   5.125
  163   2HB   GLU  22          1HB       GLU  22  -4.753 -15.670   5.173
  164   1HG   GLU  22          2HG       GLU  22  -6.701 -15.645   3.921
  165   2HG   GLU  22          1HG       GLU  22  -5.431 -15.590   2.705
  166    H    GLY  23           H        GLY  23  -4.880 -18.984   4.634
  167   1HA   GLY  23          2HA       GLY  23  -3.392 -21.165   4.020
  168   2HA   GLY  23          1HA       GLY  23  -5.135 -21.145   3.874
  169    H    ALA  24           H        ALA  24  -5.577 -19.617   1.653
  170    HA   ALA  24           HA       ALA  24  -4.264 -21.170  -0.490
  171   1HB   ALA  24          1HB       ALA  24  -6.880 -19.659  -0.549
  172   2HB   ALA  24          2HB       ALA  24  -6.700 -21.401  -0.346
  173   3HB   ALA  24          3HB       ALA  24  -6.213 -20.637  -1.859
  174    H    LEU  25           H        LEU  25  -3.326 -18.667   0.896
  175    HA   LEU  25           HA       LEU  25  -2.270 -16.715   0.463
  176   1HB   LEU  25          2HB       LEU  25  -2.233 -17.804  -2.355
  177   2HB   LEU  25          1HB       LEU  25  -1.290 -16.432  -1.804
  178    HG   LEU  25           HG       LEU  25  -1.015 -19.279  -0.823
  179   1HD1  LEU  25          1HD1      LEU  25  -0.145 -18.975  -3.081
  180   2HD1  LEU  25          2HD1      LEU  25   1.168 -19.215  -1.931
  181   3HD1  LEU  25          3HD1      LEU  25   0.815 -17.598  -2.540
  182   1HD2  LEU  25          1HD2      LEU  25   0.575 -16.819  -0.087
  183   2HD2  LEU  25          2HD2      LEU  25   0.926 -18.467   0.429
  184   3HD2  LEU  25          3HD2      LEU  25  -0.556 -17.673   0.963
  185    H    GLY  26           H        GLY  26  -5.239 -16.855   0.192
  186   1HA   GLY  26          2HA       GLY  26  -6.969 -15.427  -0.318
  187   2HA   GLY  26          1HA       GLY  26  -5.754 -14.206  -0.670
  188    H    HIS  27           H        HIS  27  -5.398 -13.644  -2.771
  189    HA   HIS  27           HA       HIS  27  -6.705 -15.223  -4.876
  190   1HB   HIS  27          2HB       HIS  27  -5.064 -12.747  -5.409
  191   2HB   HIS  27          1HB       HIS  27  -6.444 -13.373  -6.304
  192    HD1  HIS  27           HD1      HIS  27  -7.742 -13.501  -3.100
  193    HD2  HIS  27           HD2      HIS  27  -6.742 -10.325  -5.564
  194    HE1  HIS  27           HE1      HIS  27  -8.840 -11.500  -2.082
  195    HE2  HIS  27           HE2      HIS  27  -7.986  -9.571  -3.430
  196    HA   PRO  28           HA       PRO  28  -3.756 -18.207  -5.780
  197   1HB   PRO  28          2HB       PRO  28  -3.147 -16.567  -8.225
  198   2HB   PRO  28          1HB       PRO  28  -3.270 -18.325  -8.065
  199   1HG   PRO  28          2HG       PRO  28  -5.348 -16.743  -8.903
  200   2HG   PRO  28          1HG       PRO  28  -5.566 -18.300  -8.091
  201   1HD   PRO  28          2HD       PRO  28  -6.280 -15.682  -7.121
  202   2HD   PRO  28          1HD       PRO  28  -6.494 -17.243  -6.303
  203    H    ARG  29           H        ARG  29  -2.221 -15.192  -6.963
  204    HA   ARG  29           HA       ARG  29  -0.609 -14.647  -4.853
  205   1HB   ARG  29          2HB       ARG  29   0.442 -16.915  -5.398
  206   2HB   ARG  29          1HB       ARG  29   1.098 -16.146  -6.837
  207   1HG   ARG  29          2HG       ARG  29   2.712 -16.157  -5.003
  208   2HG   ARG  29          1HG       ARG  29   2.279 -14.518  -5.465
  209   1HD   ARG  29          2HD       ARG  29   0.859 -14.278  -3.559
  210   2HD   ARG  29          1HD       ARG  29   0.991 -15.992  -3.169
  211    HE   ARG  29           HE       ARG  29   3.554 -15.073  -3.059
  212   1HH1  ARG  29          1HH1      ARG  29   0.616 -14.135  -1.513
  213   2HH1  ARG  29          2HH1      ARG  29   1.422 -13.587  -0.089
  214   1HH2  ARG  29          1HH2      ARG  29   4.554 -14.397  -1.214
  215   2HH2  ARG  29          2HH2      ARG  29   3.615 -13.763   0.096
  216    H    VAL  30           H        VAL  30  -1.081 -12.647  -5.516
  217    HA   VAL  30           HA       VAL  30  -0.298 -11.764  -8.204
  218    HB   VAL  30           HB       VAL  30  -2.061 -10.315  -6.211
  219   1HG1  VAL  30          1HG1      VAL  30  -1.050  -8.843  -7.878
  220   2HG1  VAL  30          2HG1      VAL  30  -2.783  -9.014  -8.165
  221   3HG1  VAL  30          3HG1      VAL  30  -1.632  -9.890  -9.174
  222   1HG2  VAL  30          1HG2      VAL  30  -3.080 -12.447  -6.824
  223   2HG2  VAL  30          2HG2      VAL  30  -2.857 -12.081  -8.534
  224   3HG2  VAL  30          3HG2      VAL  30  -3.960 -11.107  -7.562
  225    H    TRP  31           H        TRP  31   1.410 -10.480  -8.506
  226    HA   TRP  31           HA       TRP  31   2.661  -9.198  -6.163
  227   1HB   TRP  31          2HB       TRP  31   3.798 -10.151  -8.792
  228   2HB   TRP  31          1HB       TRP  31   4.692  -9.071  -7.727
  229    HD1  TRP  31           HD       TRP  31   3.200 -12.651  -7.718
  230    HE1  TRP  31           HE1      TRP  31   4.548 -14.070  -6.041
  231    HE3  TRP  31           HE3      TRP  31   6.200  -8.994  -5.799
  232    HZ2  TRP  31           HZ2      TRP  31   6.613 -13.683  -4.155
  233    HZ3  TRP  31           HZ3      TRP  31   7.833  -9.594  -4.060
  234    HH2  TRP  31           HH       TRP  31   8.036 -11.890  -3.255
  235    H    LEU  32           H        LEU  32   2.302  -7.095  -5.950
  236    HA   LEU  32           HA       LEU  32   1.627  -5.474  -8.302
  237   1HB   LEU  32          2HB       LEU  32   1.213  -5.068  -5.343
  238   2HB   LEU  32          1HB       LEU  32   1.046  -3.741  -6.477
  239    HG   LEU  32           HG       LEU  32  -0.744  -4.986  -7.649
  240   1HD1  LEU  32          1HD1      LEU  32  -0.077  -7.256  -7.111
  241   2HD1  LEU  32          2HD1      LEU  32  -1.743  -6.952  -6.615
  242   3HD1  LEU  32          3HD1      LEU  32  -0.455  -6.980  -5.409
  243   1HD2  LEU  32          1HD2      LEU  32  -2.460  -4.716  -5.899
  244   2HD2  LEU  32          2HD2      LEU  32  -1.340  -3.356  -5.948
  245   3HD2  LEU  32          3HD2      LEU  32  -1.185  -4.578  -4.686
  246    H    GLN  33           H        GLN  33   2.375  -3.108  -8.104
  247    HA   GLN  33           HA       GLN  33   5.148  -2.901  -7.140
  248   1HB   GLN  33          2HB       GLN  33   5.275  -3.513  -9.514
  249   2HB   GLN  33          1HB       GLN  33   4.194  -2.189  -9.930
  250   1HG   GLN  33          2HG       GLN  33   6.423  -1.542 -10.476
  251   2HG   GLN  33          1HG       GLN  33   5.899  -0.595  -9.085
  252   1HE2  GLN  33          1HE2      GLN  33   8.011  -0.172  -8.440
  253   2HE2  GLN  33          2HE2      GLN  33   9.038  -1.385  -7.766
  254    H    ILE  34           H        ILE  34   5.169  -1.208  -5.790
  255    HA   ILE  34           HA       ILE  34   3.245   0.876  -5.791
  256    HB   ILE  34           HB       ILE  34   5.953   0.765  -4.456
  257   1HG1  ILE  34          2HG1      ILE  34   3.184   0.173  -3.371
  258   2HG1  ILE  34          1HG1      ILE  34   4.416  -1.028  -3.733
  259   1HG2  ILE  34          1HG2      ILE  34   5.212   3.073  -4.646
  260   2HG2  ILE  34          2HG2      ILE  34   5.091   2.539  -2.970
  261   3HG2  ILE  34          3HG2      ILE  34   3.639   2.648  -3.966
  262   1HD1  ILE  34          1HD1      ILE  34   4.585   1.117  -1.630
  263   2HD1  ILE  34          2HD1      ILE  34   5.848  -0.055  -1.999
  264   3HD1  ILE  34          3HD1      ILE  34   4.300  -0.603  -1.358
  265    HA   PRO  35           HA       PRO  35   5.273   3.377  -8.971
  266   1HB   PRO  35          2HB       PRO  35   3.362   5.277  -9.149
  267   2HB   PRO  35          1HB       PRO  35   3.155   3.671  -9.858
  268   1HG   PRO  35          2HG       PRO  35   2.089   4.756  -7.278
  269   2HG   PRO  35          1HG       PRO  35   1.270   3.756  -8.487
  270   1HD   PRO  35          2HD       PRO  35   2.345   2.766  -6.169
  271   2HD   PRO  35          1HD       PRO  35   2.174   1.805  -7.651
  272    H    GLU  36           H        GLU  36   7.006   4.422  -8.200
  273    HA   GLU  36           HA       GLU  36   7.251   5.721  -5.763
  274   1HB   GLU  36          2HB       GLU  36   9.118   4.890  -7.140
  275   2HB   GLU  36          1HB       GLU  36   8.848   6.191  -8.285
  276   1HG   GLU  36          2HG       GLU  36   9.484   7.838  -6.649
  277   2HG   GLU  36          1HG       GLU  36   9.607   6.597  -5.401
  278    H    ASP  37           H        ASP  37   5.951   6.968  -8.741
  279    HA   ASP  37           HA       ASP  37   6.080   9.720  -8.236
  280   1HB   ASP  37          2HB       ASP  37   5.374   8.863 -10.400
  281   2HB   ASP  37          1HB       ASP  37   3.953   8.113  -9.676
  282    H    THR  38           H        THR  38   3.617   7.334  -7.250
  283    HA   THR  38           HA       THR  38   2.123   9.366  -5.776
  284    HB   THR  38           HB       THR  38   0.439   7.686  -5.390
  285    HG1  THR  38           HG1      THR  38   0.793   5.506  -5.828
  286   1HG2  THR  38          1HG2      THR  38   0.488   8.645  -7.660
  287   2HG2  THR  38          2HG2      THR  38  -0.123   6.990  -7.663
  288   3HG2  THR  38          3HG2      THR  38   1.529   7.321  -8.190
  289    H    GLY  39           H        GLY  39   3.801   6.296  -5.064
  290   1HA   GLY  39          2HA       GLY  39   5.143   5.990  -3.087
  291   2HA   GLY  39          1HA       GLY  39   4.159   7.199  -2.274
  292    H    TRP  40           H        TRP  40   2.097   5.245  -3.998
  293    HA   TRP  40           HA       TRP  40   1.842   3.130  -2.013
  294   1HB   TRP  40          2HB       TRP  40  -0.545   3.732  -1.512
  295   2HB   TRP  40          1HB       TRP  40   0.631   4.873  -0.873
  296    HD1  TRP  40           HD       TRP  40   0.529   7.352  -1.746
  297    HE1  TRP  40           HE1      TRP  40  -1.131   8.642  -3.226
  298    HE3  TRP  40           HE3      TRP  40  -2.146   3.407  -3.620
  299    HZ2  TRP  40           HZ2      TRP  40  -3.278   8.081  -4.956
  300    HZ3  TRP  40           HZ3      TRP  40  -3.992   3.877  -5.183
  301    HH2  TRP  40           HH       TRP  40  -4.545   6.166  -5.835
  302    H    VAL  41           H        VAL  41   0.266   1.495  -2.584
  303    HA   VAL  41           HA       VAL  41  -1.071   1.752  -5.175
  304    HB   VAL  41           HB       VAL  41   1.096   0.656  -5.684
  305   1HG1  VAL  41          1HG1      VAL  41   1.592  -1.592  -4.884
  306   2HG1  VAL  41          2HG1      VAL  41   0.135  -1.576  -3.888
  307   3HG1  VAL  41          3HG1      VAL  41   1.456  -0.466  -3.531
  308   1HG2  VAL  41          1HG2      VAL  41  -1.317  -1.142  -5.987
  309   2HG2  VAL  41          2HG2      VAL  41   0.173  -1.265  -6.923
  310   3HG2  VAL  41          3HG2      VAL  41  -0.843   0.167  -7.073
  311    H    GLU  42           H        GLU  42  -3.127   0.991  -5.039
  312    HA   GLU  42           HA       GLU  42  -3.814  -0.548  -2.630
  313   1HB   GLU  42          2HB       GLU  42  -6.139   0.276  -2.999
  314   2HB   GLU  42          1HB       GLU  42  -4.964   1.540  -2.679
  315   1HG   GLU  42          2HG       GLU  42  -4.871   2.062  -5.072
  316   2HG   GLU  42          1HG       GLU  42  -6.060   0.801  -5.388
  317    H    CYS  43           H        CYS  43  -5.363  -2.222  -2.703
  318    HA   CYS  43           HA       CYS  43  -4.877  -4.081  -4.796
  319   1HB   CYS  43          2HB       CYS  43  -5.192  -4.988  -2.644
  320   2HB   CYS  43          1HB       CYS  43  -6.676  -4.079  -2.379
  321    HG   CYS  43           HG       CYS  43  -6.206  -6.965  -4.090
  322    HA   PRO  44           HA       PRO  44  -8.305  -2.988  -7.466
  323   1HB   PRO  44          2HB       PRO  44  -8.016  -4.949  -9.284
  324   2HB   PRO  44          1HB       PRO  44  -6.839  -3.638  -9.146
  325   1HG   PRO  44          2HG       PRO  44  -6.684  -6.437  -8.068
  326   2HG   PRO  44          1HG       PRO  44  -5.436  -5.491  -8.898
  327   1HD   PRO  44          2HD       PRO  44  -5.574  -5.768  -6.175
  328   2HD   PRO  44          1HD       PRO  44  -4.849  -4.361  -6.981
  329    H    TYR  45           H        TYR  45  -8.137  -5.711  -5.454
  330    HA   TYR  45           HA       TYR  45 -10.824  -6.611  -6.248
  331   1HB   TYR  45          2HB       TYR  45  -8.549  -8.071  -4.935
  332   2HB   TYR  45          1HB       TYR  45 -10.201  -8.669  -4.809
  333    HD1  TYR  45           HD1      TYR  45  -7.490  -7.871  -7.225
  334    HD2  TYR  45           HD2      TYR  45 -11.244  -9.795  -6.622
  335    HE1  TYR  45           HE1      TYR  45  -7.286  -8.959  -9.422
  336    HE2  TYR  45           HE2      TYR  45 -11.044 -10.890  -8.812
  337    HH   TYR  45           HH       TYR  45  -9.910 -10.628 -10.906
  338    H    CYS  46           H        CYS  46  -9.361  -7.231  -3.059
  339    HA   CYS  46           HA       CYS  46 -11.526  -5.684  -1.814
  340   1HB   CYS  46          2HB       CYS  46 -12.452  -7.932  -2.361
  341   2HB   CYS  46          1HB       CYS  46 -11.188  -8.664  -1.386
  342    HG   CYS  46           HG       CYS  46 -12.293  -6.806   0.796
  343    H    ASP  47           H        ASP  47  -8.369  -6.109  -1.748
  344    HA   ASP  47           HA       ASP  47  -8.054  -6.862   1.043
  345   1HB   ASP  47          2HB       ASP  47  -5.982  -6.324  -1.086
  346   2HB   ASP  47          1HB       ASP  47  -5.649  -6.947   0.530
  347    H    CYS  48           H        CYS  48  -5.638  -4.643  -0.093
  348    HA   CYS  48           HA       CYS  48  -6.786  -2.388   1.346
  349   1HB   CYS  48          2HB       CYS  48  -4.327  -3.812   2.392
  350   2HB   CYS  48          1HB       CYS  48  -4.899  -2.245   2.961
  351    HG   CYS  48           HG       CYS  48  -7.524  -3.845   3.372
  352    H    LYS  49           H        LYS  49  -4.932  -0.642   1.661
  353    HA   LYS  49           HA       LYS  49  -3.515  -0.394  -0.911
  354   1HB   LYS  49          2HB       LYS  49  -5.131   1.371  -0.497
  355   2HB   LYS  49          1HB       LYS  49  -4.407   1.709   1.070
  356   1HG   LYS  49          2HG       LYS  49  -2.442   2.600   0.068
  357   2HG   LYS  49          1HG       LYS  49  -2.909   2.009  -1.525
  358   1HD   LYS  49          2HD       LYS  49  -3.281   4.420  -1.335
  359   2HD   LYS  49          1HD       LYS  49  -4.802   3.558  -1.558
  360   1HE   LYS  49          2HE       LYS  49  -5.168   3.675   0.901
  361   2HE   LYS  49          1HE       LYS  49  -3.706   4.655   1.031
  362   1HZ   LYS  49          1HZ       LYS  49  -4.724   6.329  -0.350
  363   2HZ   LYS  49          2HZ       LYS  49  -5.740   5.995   0.957
  364   3HZ   LYS  49          3HZ       LYS  49  -6.099   5.373  -0.575
  365    H    TYR  50           H        TYR  50  -1.345  -0.418  -0.959
  366    HA   TYR  50           HA       TYR  50   0.077  -0.638   1.602
  367   1HB   TYR  50          2HB       TYR  50   0.924  -1.477  -1.187
  368   2HB   TYR  50          1HB       TYR  50   1.844  -1.756   0.288
  369    HD1  TYR  50           HD1      TYR  50  -1.423  -2.536  -1.332
  370    HD2  TYR  50           HD2      TYR  50   1.485  -3.706   1.552
  371    HE1  TYR  50           HE1      TYR  50  -2.619  -4.657  -0.996
  372    HE2  TYR  50           HE2      TYR  50   0.294  -5.831   1.892
  373    HH   TYR  50           HH       TYR  50  -1.967  -6.753   1.591
  374    H    VAL  51           H        VAL  51   1.019   1.172   2.283
  375    HA   VAL  51           HA       VAL  51   2.014   3.137   0.333
  376    HB   VAL  51           HB       VAL  51   1.618   3.413   3.327
  377   1HG1  VAL  51          1HG1      VAL  51   3.443   4.848   2.522
  378   2HG1  VAL  51          2HG1      VAL  51   2.037   5.806   2.986
  379   3HG1  VAL  51          3HG1      VAL  51   2.376   5.510   1.280
  380   1HG2  VAL  51          1HG2      VAL  51  -0.270   4.855   2.725
  381   2HG2  VAL  51          2HG2      VAL  51  -0.486   3.225   2.082
  382   3HG2  VAL  51          3HG2      VAL  51   0.022   4.537   1.016
  383    H    LEU  52           H        LEU  52   4.122   3.526   0.011
  384    HA   LEU  52           HA       LEU  52   6.111   1.846   1.236
  385   1HB   LEU  52          2HB       LEU  52   6.219   2.427  -1.137
  386   2HB   LEU  52          1HB       LEU  52   6.349   4.129  -0.734
  387    HG   LEU  52           HG       LEU  52   8.546   3.698   0.326
  388   1HD1  LEU  52          1HD1      LEU  52   8.228   1.399   1.002
  389   2HD1  LEU  52          2HD1      LEU  52   9.656   1.536  -0.024
  390   3HD1  LEU  52          3HD1      LEU  52   8.155   0.880  -0.681
  391   1HD2  LEU  52          1HD2      LEU  52   8.472   4.414  -1.998
  392   2HD2  LEU  52          2HD2      LEU  52   8.317   2.741  -2.536
  393   3HD2  LEU  52          3HD2      LEU  52   9.800   3.282  -1.749
  394    H    LYS  53           H        LYS  53   7.078   2.284   3.143
  395    HA   LYS  53           HA       LYS  53   6.944   4.888   4.335
  396   1HB   LYS  53          2HB       LYS  53   6.883   2.867   5.726
  397   2HB   LYS  53          1HB       LYS  53   8.519   2.456   5.223
  398   1HG   LYS  53          2HG       LYS  53   9.454   4.267   6.386
  399   2HG   LYS  53          1HG       LYS  53   7.892   5.062   6.573
  400   1HD   LYS  53          2HD       LYS  53   7.196   3.146   8.043
  401   2HD   LYS  53          1HD       LYS  53   8.867   2.573   7.972
  402   1HE   LYS  53          2HE       LYS  53   8.406   3.925   9.994
  403   2HE   LYS  53          1HE       LYS  53   9.661   4.626   8.974
  404   1HZ   LYS  53          1HZ       LYS  53   8.006   6.156   8.066
  405   2HZ   LYS  53          2HZ       LYS  53   8.115   6.311   9.747
  406   3HZ   LYS  53          3HZ       LYS  53   6.814   5.486   9.062
  407    H    GLY  54           H        GLY  54   8.745   6.229   4.967
  408   1HA   GLY  54          2HA       GLY  54  10.759   7.305   4.568
  409   2HA   GLY  54          1HA       GLY  54  11.291   5.906   3.644
  410    H    SER  55           H        SER  55   8.255   7.115   2.722
  411    HA   SER  55           HA       SER  55   9.431   8.511   0.395
  412   1HB   SER  55          2HB       SER  55   8.341   6.412  -0.250
  413   2HB   SER  55          1HB       SER  55   6.855   6.913   0.556
  414    HG   SER  55           HG       SER  55   7.747   7.513  -1.930
  415    H    LYS  56           H        LYS  56   7.439   9.790  -0.703
  416    HA   LYS  56           HA       LYS  56   7.035  12.081   0.872
  417   1HB   LYS  56          2HB       LYS  56   5.487  11.193  -1.578
  418   2HB   LYS  56          1HB       LYS  56   5.590  12.838  -0.955
  419   1HG   LYS  56          2HG       LYS  56   7.922  12.967  -1.491
  420   2HG   LYS  56          1HG       LYS  56   7.972  11.255  -1.911
  421   1HD   LYS  56          2HD       LYS  56   7.913  12.630  -3.921
  422   2HD   LYS  56          1HD       LYS  56   6.435  11.675  -3.783
  423   1HE   LYS  56          2HE       LYS  56   5.309  13.678  -2.809
  424   2HE   LYS  56          1HE       LYS  56   6.780  14.602  -3.126
  425   1HZ   LYS  56          1HZ       LYS  56   6.537  14.078  -5.482
  426   2HZ   LYS  56          2HZ       LYS  56   5.185  14.909  -4.890
  427   3HZ   LYS  56          3HZ       LYS  56   5.101  13.242  -5.157
  428    H    ALA  57           H        ALA  57   4.999   9.267   0.310
  429    HA   ALA  57           HA       ALA  57   2.691  10.428   1.643
  430   1HB   ALA  57          1HB       ALA  57   2.417   8.964  -0.317
  431   2HB   ALA  57          2HB       ALA  57   1.569   8.344   1.102
  432   3HB   ALA  57          3HB       ALA  57   3.100   7.624   0.603
  433    H    ASP  58           H        ASP  58   5.439   9.424   2.970
  434    HA   ASP  58           HA       ASP  58   4.348   7.644   5.008
  435   1HB   ASP  58          2HB       ASP  58   6.588   7.239   4.027
  436   2HB   ASP  58          1HB       ASP  58   7.144   8.769   4.694
  437    H    ALA  59           H        ALA  59   4.164  10.864   4.610
  438    HA   ALA  59           HA       ALA  59   3.891  11.316   7.482
  439   1HB   ALA  59          1HB       ALA  59   5.075  13.457   7.400
  440   2HB   ALA  59          2HB       ALA  59   5.486  13.170   5.711
  441   3HB   ALA  59          3HB       ALA  59   6.137  12.119   6.967
  442    H    LEU  60           H        LEU  60   1.670  11.285   7.119
  443    HA   LEU  60           HA       LEU  60   0.442  13.141   5.253
  444   1HB   LEU  60          2HB       LEU  60  -0.780  11.228   7.251
  445   2HB   LEU  60          1HB       LEU  60  -1.700  12.197   6.120
  446    HG   LEU  60           HG       LEU  60  -0.447  10.984   4.256
  447   1HD1  LEU  60          1HD1      LEU  60   0.513   8.802   4.804
  448   2HD1  LEU  60          2HD1      LEU  60   0.287   9.128   6.524
  449   3HD1  LEU  60          3HD1      LEU  60   1.404  10.113   5.580
  450   1HD2  LEU  60          1HD2      LEU  60  -2.773  10.503   4.806
  451   2HD2  LEU  60          2HD2      LEU  60  -2.263   9.378   6.066
  452   3HD2  LEU  60          3HD2      LEU  60  -1.920   9.021   4.372
  453    H    GLU  61           H        GLU  61   1.935  14.005   7.818
  454    HA   GLU  61           HA       GLU  61  -0.174  15.348   9.321
  455   1HB   GLU  61          2HB       GLU  61   2.825  15.434   9.715
  456   2HB   GLU  61          1HB       GLU  61   1.624  16.109  10.808
  457   1HG   GLU  61          2HG       GLU  61   0.731  13.788  11.121
  458   2HG   GLU  61          1HG       GLU  61   2.118  13.201  10.201
  459    H    HIS  62           H        HIS  62  -0.427  17.572   9.486
  460    HA   HIS  62           HA       HIS  62   0.840  19.225   7.437
  461   1HB   HIS  62          2HB       HIS  62  -1.572  19.496   7.834
  462   2HB   HIS  62          1HB       HIS  62  -1.263  19.911   9.515
  463    HD1  HIS  62           HD1      HIS  62  -0.857  21.273   6.023
  464    HD2  HIS  62           HD2      HIS  62  -0.572  22.561   9.964
  465    HE1  HIS  62           HE1      HIS  62  -0.591  23.762   5.899
  466    HE2  HIS  62           HE2      HIS  62  -0.257  24.495   8.278
  467    H    HIS  63           H        HIS  63   0.724  18.869  10.940
  468    HA   HIS  63           HA       HIS  63   3.367  19.817  11.309
  469   1HB   HIS  63          2HB       HIS  63   2.465  22.037  10.973
  470   2HB   HIS  63          1HB       HIS  63   1.155  21.724  12.109
  471    HD1  HIS  63           HD1      HIS  63   1.822  21.600  14.666
  472    HD2  HIS  63           HD2      HIS  63   4.844  22.897  12.126
  473    HE1  HIS  63           HE1      HIS  63   3.572  22.593  16.154
  474    HE2  HIS  63           HE2      HIS  63   5.429  23.276  14.615
  475    H    HIS  64           H        HIS  64   3.719  18.056  12.617
  476    HA   HIS  64           HA       HIS  64   2.799  18.329  15.343
  477   1HB   HIS  64          2HB       HIS  64   0.991  16.980  14.301
  478   2HB   HIS  64          1HB       HIS  64   2.183  15.767  13.850
  479    HD1  HIS  64           HD1      HIS  64   0.754  17.373  16.973
  480    HD2  HIS  64           HD2      HIS  64   2.620  13.855  15.778
  481    HE1  HIS  64           HE1      HIS  64   0.702  15.871  18.977
  482    HE2  HIS  64           HE2      HIS  64   1.748  13.720  18.212
  483    H    HIS  65           H        HIS  65   4.060  15.400  13.706
  484    HA   HIS  65           HA       HIS  65   6.605  15.839  15.139
  485   1HB   HIS  65          2HB       HIS  65   5.338  14.091  16.287
  486   2HB   HIS  65          1HB       HIS  65   5.161  13.204  14.776
  487    HD1  HIS  65           HD1      HIS  65   7.161  11.832  13.966
  488    HD2  HIS  65           HD2      HIS  65   7.919  13.954  17.455
  489    HE1  HIS  65           HE1      HIS  65   9.341  10.941  14.828
  490    HE2  HIS  65           HE2      HIS  65   9.907  12.454  16.756
  491    H    HIS  66           H        HIS  66   7.156  16.833  12.987
  492    HA   HIS  66           HA       HIS  66   7.833  14.899  10.913
  493   1HB   HIS  66          2HB       HIS  66   8.242  17.890  11.123
  494   2HB   HIS  66          1HB       HIS  66   8.867  16.931   9.788
  495    HD1  HIS  66           HD1      HIS  66   6.546  19.225   9.807
  496    HD2  HIS  66           HD2      HIS  66   6.077  15.125   9.332
  497    HE1  HIS  66           HE1      HIS  66   4.407  18.938   8.533
  498    HE2  HIS  66           HE2      HIS  66   4.302  16.477   8.022
  499    H    HIS  67           H        HIS  67   9.263  16.181  13.718
  500    HA   HIS  67           HA       HIS  67  11.953  15.329  12.871
  501   1HB   HIS  67          2HB       HIS  67  11.842  17.633  13.718
  502   2HB   HIS  67          1HB       HIS  67  11.130  17.061  15.224
  503    HD1  HIS  67           HD1      HIS  67  12.831  17.130  17.026
  504    HD2  HIS  67           HD2      HIS  67  14.502  16.039  13.381
  505    HE1  HIS  67           HE1      HIS  67  15.257  16.713  17.496
  506    HE2  HIS  67           HE2      HIS  67  16.277  16.220  15.251
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1 -22.102  -1.404   5.303
    2   2H    MET   1          2H        MET   1 -21.809  -1.974   3.743
    3   3H    MET   1          3H        MET   1 -22.984  -0.785   3.998
    4    HA   MET   1           HA       MET   1 -21.023   0.199   3.061
    5   1HB   MET   1          2HB       MET   1 -20.626   1.936   4.766
    6   2HB   MET   1          1HB       MET   1 -22.334   1.555   4.596
    7   1HG   MET   1          2HG       MET   1 -22.244   0.190   6.617
    8   2HG   MET   1          1HG       MET   1 -20.523   0.545   6.786
    9   1HE   MET   1          1HE       MET   1 -20.883   1.391   9.271
   10   2HE   MET   1          2HE       MET   1 -22.602   1.018   9.145
   11   3HE   MET   1          3HE       MET   1 -22.081   2.599   9.730
   12    H    THR   2           H        THR   2 -20.341  -1.964   5.711
   13    HA   THR   2           HA       THR   2 -18.427  -2.920   6.494
   14    HB   THR   2           HB       THR   2 -17.059  -2.026   3.943
   15    HG1  THR   2           HG1      THR   2 -18.355  -3.282   2.856
   16   1HG2  THR   2          1HG2      THR   2 -16.754  -4.508   5.656
   17   2HG2  THR   2          2HG2      THR   2 -15.629  -3.152   5.595
   18   3HG2  THR   2          3HG2      THR   2 -15.864  -4.167   4.173
   19    H    ILE   3           H        ILE   3 -18.818   0.181   6.577
   20    HA   ILE   3           HA       ILE   3 -17.805   2.023   7.408
   21    HB   ILE   3           HB       ILE   3 -15.696   0.137   8.496
   22   1HG1  ILE   3          2HG1      ILE   3 -18.329   0.985   9.742
   23   2HG1  ILE   3          1HG1      ILE   3 -17.973  -0.615   9.103
   24   1HG2  ILE   3          1HG2      ILE   3 -16.607   2.859   9.453
   25   2HG2  ILE   3          2HG2      ILE   3 -15.060   2.484   8.693
   26   3HG2  ILE   3          3HG2      ILE   3 -15.445   1.821  10.279
   27   1HD1  ILE   3          1HD1      ILE   3 -16.231  -0.888  10.807
   28   2HD1  ILE   3          2HD1      ILE   3 -17.824  -0.611  11.505
   29   3HD1  ILE   3          3HD1      ILE   3 -16.643   0.697  11.465
   30    H    GLN   4           H        GLN   4 -16.736   0.531   4.832
   31    HA   GLN   4           HA       GLN   4 -15.255   0.871   3.153
   32   1HB   GLN   4          2HB       GLN   4 -14.662   3.486   4.557
   33   2HB   GLN   4          1HB       GLN   4 -14.228   3.088   2.900
   34   1HG   GLN   4          2HG       GLN   4 -16.591   2.938   2.309
   35   2HG   GLN   4          1HG       GLN   4 -17.034   3.309   3.974
   36   1HE2  GLN   4          1HE2      GLN   4 -17.726   4.765   1.572
   37   2HE2  GLN   4          2HE2      GLN   4 -17.093   6.359   1.766
   38    H    ALA   5           H        ALA   5 -13.515   2.471   5.795
   39    HA   ALA   5           HA       ALA   5 -11.545   2.107   6.831
   40   1HB   ALA   5          1HB       ALA   5 -10.704  -0.160   7.094
   41   2HB   ALA   5          2HB       ALA   5 -11.782  -0.725   5.820
   42   3HB   ALA   5          3HB       ALA   5 -12.452  -0.111   7.330
   43    HA   PRO   6           HA       PRO   6  -9.004   2.685   3.001
   44   1HB   PRO   6          2HB       PRO   6  -7.945   5.068   3.774
   45   2HB   PRO   6          1HB       PRO   6  -9.492   4.942   2.927
   46   1HG   PRO   6          2HG       PRO   6  -8.958   5.299   5.856
   47   2HG   PRO   6          1HG       PRO   6 -10.173   6.094   4.837
   48   1HD   PRO   6          2HD       PRO   6 -10.756   3.997   6.479
   49   2HD   PRO   6          1HD       PRO   6 -11.628   4.308   4.965
   50    H    GLU   7           H        GLU   7  -8.099   0.773   4.287
   51    HA   GLU   7           HA       GLU   7  -6.310   1.191   6.439
   52   1HB   GLU   7          2HB       GLU   7  -7.479  -0.935   6.077
   53   2HB   GLU   7          1HB       GLU   7  -6.566  -1.194   4.596
   54   1HG   GLU   7          2HG       GLU   7  -4.515  -1.409   5.816
   55   2HG   GLU   7          1HG       GLU   7  -5.302  -0.932   7.320
   56    H    THR   8           H        THR   8  -4.384   2.075   6.379
   57    HA   THR   8           HA       THR   8  -2.722   1.939   3.959
   58    HB   THR   8           HB       THR   8  -2.524   3.631   6.463
   59    HG1  THR   8           HG1      THR   8  -3.884   4.640   5.115
   60   1HG2  THR   8          1HG2      THR   8  -0.249   3.052   5.826
   61   2HG2  THR   8          2HG2      THR   8  -0.577   4.732   5.398
   62   3HG2  THR   8          3HG2      THR   8  -0.579   3.489   4.147
   63    H    LYS   9           H        LYS   9  -1.036   0.579   3.824
   64    HA   LYS   9           HA       LYS   9  -0.009  -0.652   6.309
   65   1HB   LYS   9          2HB       LYS   9  -1.437  -2.102   4.716
   66   2HB   LYS   9          1HB       LYS   9  -0.058  -2.042   3.629
   67   1HG   LYS   9          2HG       LYS   9   0.037  -4.083   4.879
   68   2HG   LYS   9          1HG       LYS   9   1.343  -3.031   5.431
   69   1HD   LYS   9          2HD       LYS   9   0.036  -2.380   7.382
   70   2HD   LYS   9          1HD       LYS   9  -1.332  -3.339   6.813
   71   1HE   LYS   9          2HE       LYS   9  -0.163  -4.553   8.545
   72   2HE   LYS   9          1HE       LYS   9   0.064  -5.377   7.002
   73   1HZ   LYS   9          1HZ       LYS   9   2.026  -3.573   8.317
   74   2HZ   LYS   9          2HZ       LYS   9   2.248  -4.337   6.827
   75   3HZ   LYS   9          3HZ       LYS   9   2.121  -5.260   8.236
   76    H    ILE  10           H        ILE  10   1.986   0.113   6.667
   77    HA   ILE  10           HA       ILE  10   3.589   1.232   4.552
   78    HB   ILE  10           HB       ILE  10   4.367   0.729   7.434
   79   1HG1  ILE  10          2HG1      ILE  10   3.226   3.244   6.172
   80   2HG1  ILE  10          1HG1      ILE  10   2.328   2.143   7.213
   81   1HG2  ILE  10          1HG2      ILE  10   6.287   1.105   5.972
   82   2HG2  ILE  10          2HG2      ILE  10   6.046   2.483   7.046
   83   3HG2  ILE  10          3HG2      ILE  10   5.549   2.585   5.356
   84   1HD1  ILE  10          1HD1      ILE  10   3.073   4.115   8.423
   85   2HD1  ILE  10          2HD1      ILE  10   4.750   3.743   8.022
   86   3HD1  ILE  10          3HD1      ILE  10   3.828   2.658   9.063
   87    H    VAL  11           H        VAL  11   4.479  -0.186   3.148
   88    HA   VAL  11           HA       VAL  11   5.686  -2.667   4.136
   89    HB   VAL  11           HB       VAL  11   5.903  -3.309   1.773
   90   1HG1  VAL  11          1HG1      VAL  11   3.848  -3.854   2.972
   91   2HG1  VAL  11          2HG1      VAL  11   3.508  -3.518   1.274
   92   3HG1  VAL  11          3HG1      VAL  11   3.147  -2.305   2.501
   93   1HG2  VAL  11          1HG2      VAL  11   4.606  -0.641   1.188
   94   2HG2  VAL  11          2HG2      VAL  11   4.927  -1.913   0.007
   95   3HG2  VAL  11          3HG2      VAL  11   6.267  -1.091   0.807
   96    H    ASP  12           H        ASP  12   7.835  -3.300   3.412
   97    HA   ASP  12           HA       ASP  12   9.682  -1.128   3.846
   98   1HB   ASP  12          2HB       ASP  12   9.939  -3.244   5.048
   99   2HB   ASP  12          1HB       ASP  12  10.141  -4.101   3.524
  100    H    LYS  13           H        LYS  13   8.852  -3.312   1.209
  101    HA   LYS  13           HA       LYS  13  10.782  -1.898  -0.503
  102   1HB   LYS  13          2HB       LYS  13   9.966  -4.800  -0.543
  103   2HB   LYS  13          1HB       LYS  13  10.807  -4.032  -1.885
  104   1HG   LYS  13          2HG       LYS  13  11.856  -4.196   0.942
  105   2HG   LYS  13          1HG       LYS  13  12.313  -5.275  -0.380
  106   1HD   LYS  13          2HD       LYS  13  13.185  -3.348  -1.644
  107   2HD   LYS  13          1HD       LYS  13  12.739  -2.278  -0.316
  108   1HE   LYS  13          2HE       LYS  13  14.676  -4.580  -0.070
  109   2HE   LYS  13          1HE       LYS  13  15.156  -2.909  -0.365
  110   1HZ   LYS  13          1HZ       LYS  13  15.297  -3.535   1.987
  111   2HZ   LYS  13          2HZ       LYS  13  13.634  -3.835   2.014
  112   3HZ   LYS  13          3HZ       LYS  13  14.205  -2.271   1.735
  113    H    SER  14           H        SER  14  10.233  -2.071  -2.888
  114    HA   SER  14           HA       SER  14   7.781  -0.694  -3.261
  115   1HB   SER  14          2HB       SER  14   9.629  -1.812  -5.384
  116   2HB   SER  14          1HB       SER  14   8.429  -0.536  -5.602
  117    HG   SER  14           HG       SER  14  10.077   0.710  -5.164
  118    H    ARG  15           H        ARG  15   8.724  -4.039  -3.918
  119    HA   ARG  15           HA       ARG  15   6.121  -4.520  -5.189
  120   1HB   ARG  15          2HB       ARG  15   7.025  -6.699  -5.867
  121   2HB   ARG  15          1HB       ARG  15   8.041  -5.371  -6.411
  122   1HG   ARG  15          2HG       ARG  15   9.623  -5.812  -4.627
  123   2HG   ARG  15          1HG       ARG  15   8.590  -7.100  -4.001
  124   1HD   ARG  15          2HD       ARG  15   8.873  -8.359  -6.066
  125   2HD   ARG  15          1HD       ARG  15   9.853  -7.060  -6.746
  126    HE   ARG  15           HE       ARG  15  11.412  -7.565  -4.806
  127   1HH1  ARG  15          1HH1      ARG  15   9.421  -9.974  -6.278
  128   2HH1  ARG  15          2HH1      ARG  15  10.501 -11.262  -5.871
  129   1HH2  ARG  15          1HH2      ARG  15  12.792  -9.233  -4.321
  130   2HH2  ARG  15          2HH2      ARG  15  12.372 -10.850  -4.780
  131    H    VAL  16           H        VAL  16   4.564  -5.738  -4.321
  132    HA   VAL  16           HA       VAL  16   5.053  -7.057  -1.721
  133    HB   VAL  16           HB       VAL  16   2.590  -5.439  -2.428
  134   1HG1  VAL  16          1HG1      VAL  16   1.989  -5.760  -0.055
  135   2HG1  VAL  16          2HG1      VAL  16   3.383  -6.825   0.135
  136   3HG1  VAL  16          3HG1      VAL  16   2.064  -7.282  -0.945
  137   1HG2  VAL  16          1HG2      VAL  16   3.354  -3.815  -0.774
  138   2HG2  VAL  16          2HG2      VAL  16   4.544  -3.994  -2.064
  139   3HG2  VAL  16          3HG2      VAL  16   4.815  -4.762  -0.501
  140    H    ALA  17           H        ALA  17   4.523  -9.163  -1.787
  141    HA   ALA  17           HA       ALA  17   2.967 -10.304  -3.918
  142   1HB   ALA  17          1HB       ALA  17   3.310 -12.433  -2.769
  143   2HB   ALA  17          2HB       ALA  17   3.939 -11.587  -1.356
  144   3HB   ALA  17          3HB       ALA  17   4.826 -11.535  -2.880
  145    H    CYS  18           H        CYS  18   0.881  -9.533  -3.883
  146    HA   CYS  18           HA       CYS  18  -0.618  -9.558  -1.372
  147   1HB   CYS  18          2HB       CYS  18  -1.388  -8.505  -4.103
  148   2HB   CYS  18          1HB       CYS  18  -2.346  -8.328  -2.636
  149    HG   CYS  18           HG       CYS  18   0.829  -7.095  -2.819
  150    H    ASP  19           H        ASP  19  -0.250 -12.085  -1.752
  151    HA   ASP  19           HA       ASP  19  -1.880 -13.531  -3.480
  152   1HB   ASP  19          2HB       ASP  19  -1.126 -14.244  -0.632
  153   2HB   ASP  19          1HB       ASP  19  -1.730 -15.372  -1.844
  154    H    GLY  20           H        GLY  20  -2.654 -12.840  -0.050
  155   1HA   GLY  20          2HA       GLY  20  -5.126 -11.719  -0.292
  156   2HA   GLY  20          1HA       GLY  20  -5.452 -13.436  -0.455
  157    H    GLY  21           H        GLY  21  -6.742 -13.207   1.489
  158   1HA   GLY  21          2HA       GLY  21  -5.430 -12.606   3.999
  159   2HA   GLY  21          1HA       GLY  21  -7.078 -13.188   3.788
  160    H    GLU  22           H        GLU  22  -7.495 -15.262   4.316
  161    HA   GLU  22           HA       GLU  22  -5.530 -17.006   5.356
  162   1HB   GLU  22          2HB       GLU  22  -8.267 -17.736   4.286
  163   2HB   GLU  22          1HB       GLU  22  -7.297 -18.687   5.398
  164   1HG   GLU  22          2HG       GLU  22  -8.388 -15.945   6.006
  165   2HG   GLU  22          1HG       GLU  22  -9.164 -17.457   6.473
  166    H    GLY  23           H        GLY  23  -4.814 -19.081   4.495
  167   1HA   GLY  23          2HA       GLY  23  -3.581 -19.096   2.079
  168   2HA   GLY  23          1HA       GLY  23  -4.126 -20.566   2.861
  169    H    ALA  24           H        ALA  24  -6.767 -20.657   2.568
  170    HA   ALA  24           HA       ALA  24  -7.166 -21.300  -0.163
  171   1HB   ALA  24          1HB       ALA  24  -9.222 -20.986   2.024
  172   2HB   ALA  24          2HB       ALA  24  -8.309 -22.452   1.670
  173   3HB   ALA  24          3HB       ALA  24  -9.459 -21.820   0.490
  174    H    LEU  25           H        LEU  25  -7.656 -18.340   1.575
  175    HA   LEU  25           HA       LEU  25  -9.529 -17.244  -0.372
  176   1HB   LEU  25          2HB       LEU  25  -8.170 -15.887   1.968
  177   2HB   LEU  25          1HB       LEU  25  -9.491 -15.233   1.020
  178    HG   LEU  25           HG       LEU  25  -9.621 -17.625   2.867
  179   1HD1  LEU  25          1HD1      LEU  25  -9.562 -15.475   4.024
  180   2HD1  LEU  25          2HD1      LEU  25 -11.148 -16.229   4.170
  181   3HD1  LEU  25          3HD1      LEU  25 -10.907 -14.896   3.040
  182   1HD2  LEU  25          1HD2      LEU  25 -11.785 -16.416   1.141
  183   2HD2  LEU  25          2HD2      LEU  25 -12.013 -17.684   2.343
  184   3HD2  LEU  25          3HD2      LEU  25 -11.033 -17.997   0.911
  185    H    GLY  26           H        GLY  26  -6.311 -17.780  -0.452
  186   1HA   GLY  26          2HA       GLY  26  -5.389 -15.211  -1.405
  187   2HA   GLY  26          1HA       GLY  26  -4.459 -16.694  -1.334
  188    H    HIS  27           H        HIS  27  -4.306 -14.937  -3.459
  189    HA   HIS  27           HA       HIS  27  -5.753 -16.205  -5.681
  190   1HB   HIS  27          2HB       HIS  27  -4.034 -13.699  -5.631
  191   2HB   HIS  27          1HB       HIS  27  -4.978 -14.270  -7.005
  192    HD1  HIS  27           HD1      HIS  27  -5.233 -12.297  -3.905
  193    HD2  HIS  27           HD2      HIS  27  -7.841 -14.073  -6.606
  194    HE1  HIS  27           HE1      HIS  27  -7.470 -11.259  -3.458
  195    HE2  HIS  27           HE2      HIS  27  -9.052 -12.411  -5.037
  196    HA   PRO  28           HA       PRO  28  -2.542 -18.643  -7.532
  197   1HB   PRO  28          2HB       PRO  28  -2.124 -16.437  -9.528
  198   2HB   PRO  28          1HB       PRO  28  -2.199 -18.185  -9.791
  199   1HG   PRO  28          2HG       PRO  28  -4.318 -16.645 -10.287
  200   2HG   PRO  28          1HG       PRO  28  -4.508 -18.254  -9.571
  201   1HD   PRO  28          2HD       PRO  28  -4.848 -15.585  -8.322
  202   2HD   PRO  28          1HD       PRO  28  -5.561 -17.145  -7.866
  203    H    ARG  29           H        ARG  29  -1.302 -15.351  -8.178
  204    HA   ARG  29           HA       ARG  29   0.508 -15.097  -6.139
  205   1HB   ARG  29          2HB       ARG  29   1.571 -17.146  -7.159
  206   2HB   ARG  29          1HB       ARG  29   1.936 -16.175  -8.578
  207   1HG   ARG  29          2HG       ARG  29   3.857 -16.312  -7.114
  208   2HG   ARG  29          1HG       ARG  29   3.276 -14.657  -7.201
  209   1HD   ARG  29          2HD       ARG  29   2.346 -14.757  -5.041
  210   2HD   ARG  29          1HD       ARG  29   2.422 -16.518  -4.996
  211    HE   ARG  29           HE       ARG  29   5.026 -15.575  -5.220
  212   1HH1  ARG  29          1HH1      ARG  29   2.445 -15.391  -2.939
  213   2HH1  ARG  29          2HH1      ARG  29   3.516 -15.344  -1.582
  214   1HH2  ARG  29          1HH2      ARG  29   6.378 -15.529  -3.465
  215   2HH2  ARG  29          2HH2      ARG  29   5.712 -15.454  -1.870
  216    H    VAL  30           H        VAL  30  -0.152 -13.047  -6.376
  217    HA   VAL  30           HA       VAL  30   0.656 -11.581  -8.803
  218    HB   VAL  30           HB       VAL  30  -1.075  -9.893  -8.218
  219   1HG1  VAL  30          1HG1      VAL  30  -1.566 -11.644  -9.841
  220   2HG1  VAL  30          2HG1      VAL  30  -3.006 -11.248  -8.903
  221   3HG1  VAL  30          3HG1      VAL  30  -2.099 -12.718  -8.545
  222   1HG2  VAL  30          1HG2      VAL  30  -2.801 -10.443  -6.567
  223   2HG2  VAL  30          2HG2      VAL  30  -1.214 -10.311  -5.807
  224   3HG2  VAL  30          3HG2      VAL  30  -1.913 -11.900  -6.117
  225    H    TRP  31           H        TRP  31   2.304 -10.236  -8.614
  226    HA   TRP  31           HA       TRP  31   2.986  -9.094  -5.981
  227   1HB   TRP  31          2HB       TRP  31   4.661  -9.510  -8.470
  228   2HB   TRP  31          1HB       TRP  31   5.220  -8.624  -7.056
  229    HD1  TRP  31           HD       TRP  31   4.108 -12.210  -8.036
  230    HE1  TRP  31           HE1      TRP  31   5.306 -13.865  -6.467
  231    HE3  TRP  31           HE3      TRP  31   6.405  -8.862  -4.917
  232    HZ2  TRP  31           HZ2      TRP  31   6.985 -13.763  -4.205
  233    HZ3  TRP  31           HZ3      TRP  31   7.790  -9.725  -3.076
  234    HH2  TRP  31           HH       TRP  31   8.074 -12.127  -2.728
  235    H    LEU  32           H        LEU  32   2.229  -7.085  -5.697
  236    HA   LEU  32           HA       LEU  32   1.714  -5.332  -7.964
  237   1HB   LEU  32          2HB       LEU  32   1.176  -5.093  -5.005
  238   2HB   LEU  32          1HB       LEU  32   0.935  -3.746  -6.106
  239    HG   LEU  32           HG       LEU  32  -0.720  -5.096  -7.369
  240   1HD1  LEU  32          1HD1      LEU  32  -1.584  -7.172  -6.410
  241   2HD1  LEU  32          2HD1      LEU  32  -0.323  -7.129  -5.178
  242   3HD1  LEU  32          3HD1      LEU  32   0.108  -7.328  -6.878
  243   1HD2  LEU  32          1HD2      LEU  32  -2.497  -4.988  -5.694
  244   2HD2  LEU  32          2HD2      LEU  32  -1.451  -3.570  -5.608
  245   3HD2  LEU  32          3HD2      LEU  32  -1.288  -4.859  -4.414
  246    H    GLN  33           H        GLN  33   2.685  -3.341  -8.329
  247    HA   GLN  33           HA       GLN  33   5.311  -2.963  -7.010
  248   1HB   GLN  33          2HB       GLN  33   5.372  -3.698  -9.413
  249   2HB   GLN  33          1HB       GLN  33   4.554  -2.204  -9.845
  250   1HG   GLN  33          2HG       GLN  33   6.896  -1.950 -10.274
  251   2HG   GLN  33          1HG       GLN  33   6.465  -0.937  -8.895
  252   1HE2  GLN  33          1HE2      GLN  33   8.609  -0.897  -8.191
  253   2HE2  GLN  33          2HE2      GLN  33   9.355  -2.262  -7.444
  254    H    ILE  34           H        ILE  34   5.361  -1.210  -5.758
  255    HA   ILE  34           HA       ILE  34   3.393   0.872  -5.917
  256    HB   ILE  34           HB       ILE  34   5.888   0.664  -4.217
  257   1HG1  ILE  34          2HG1      ILE  34   2.973   0.101  -3.590
  258   2HG1  ILE  34          1HG1      ILE  34   4.247  -1.102  -3.763
  259   1HG2  ILE  34          1HG2      ILE  34   4.869   2.427  -2.820
  260   2HG2  ILE  34          2HG2      ILE  34   3.575   2.603  -4.007
  261   3HG2  ILE  34          3HG2      ILE  34   5.238   2.999  -4.447
  262   1HD1  ILE  34          1HD1      ILE  34   3.736  -0.715  -1.437
  263   2HD1  ILE  34          2HD1      ILE  34   4.077   1.008  -1.623
  264   3HD1  ILE  34          3HD1      ILE  34   5.374  -0.175  -1.803
  265    HA   PRO  35           HA       PRO  35   5.944   3.630  -8.453
  266   1HB   PRO  35          2HB       PRO  35   4.046   5.395  -9.064
  267   2HB   PRO  35          1HB       PRO  35   3.985   3.758  -9.732
  268   1HG   PRO  35          2HG       PRO  35   2.471   4.916  -7.416
  269   2HG   PRO  35          1HG       PRO  35   1.874   3.878  -8.719
  270   1HD   PRO  35          2HD       PRO  35   2.607   2.979  -6.197
  271   2HD   PRO  35          1HD       PRO  35   2.561   1.963  -7.651
  272    H    GLU  36           H        GLU  36   7.266   5.258  -7.691
  273    HA   GLU  36           HA       GLU  36   6.901   6.359  -5.103
  274   1HB   GLU  36          2HB       GLU  36   8.758   7.237  -7.326
  275   2HB   GLU  36          1HB       GLU  36   8.830   7.836  -5.674
  276   1HG   GLU  36          2HG       GLU  36   9.217   5.480  -4.920
  277   2HG   GLU  36          1HG       GLU  36   9.332   5.014  -6.618
  278    H    ASP  37           H        ASP  37   5.905   7.439  -8.259
  279    HA   ASP  37           HA       ASP  37   5.474  10.153  -7.882
  280   1HB   ASP  37          2HB       ASP  37   3.726   8.214  -9.428
  281   2HB   ASP  37          1HB       ASP  37   3.752   9.964  -9.635
  282    H    THR  38           H        THR  38   3.040   7.576  -7.395
  283    HA   THR  38           HA       THR  38   1.293   9.278  -5.861
  284    HB   THR  38           HB       THR  38  -0.029   7.269  -5.448
  285    HG1  THR  38           HG1      THR  38   0.745   5.242  -5.867
  286   1HG2  THR  38          1HG2      THR  38  -0.250   8.292  -7.671
  287   2HG2  THR  38          2HG2      THR  38  -0.480   6.544  -7.747
  288   3HG2  THR  38          3HG2      THR  38   1.044   7.259  -8.275
  289    H    GLY  39           H        GLY  39   3.498   6.594  -5.140
  290   1HA   GLY  39          2HA       GLY  39   4.901   6.505  -3.220
  291   2HA   GLY  39          1HA       GLY  39   3.796   7.589  -2.387
  292    H    TRP  40           H        TRP  40   1.986   5.334  -3.980
  293    HA   TRP  40           HA       TRP  40   2.042   3.216  -2.025
  294   1HB   TRP  40          2HB       TRP  40  -0.322   3.636  -1.262
  295   2HB   TRP  40          1HB       TRP  40   0.843   4.829  -0.691
  296    HD1  TRP  40           HD       TRP  40   0.624   7.321  -1.644
  297    HE1  TRP  40           HE1      TRP  40  -1.283   8.556  -2.855
  298    HE3  TRP  40           HE3      TRP  40  -2.254   3.302  -2.950
  299    HZ2  TRP  40           HZ2      TRP  40  -3.685   7.914  -4.191
  300    HZ3  TRP  40           HZ3      TRP  40  -4.341   3.699  -4.195
  301    HH2  TRP  40           HH       TRP  40  -5.040   5.958  -4.800
  302    H    VAL  41           H        VAL  41   0.262   1.592  -2.463
  303    HA   VAL  41           HA       VAL  41  -0.892   1.839  -5.167
  304    HB   VAL  41           HB       VAL  41   1.124   0.432  -5.359
  305   1HG1  VAL  41          1HG1      VAL  41   1.223  -1.774  -4.295
  306   2HG1  VAL  41          2HG1      VAL  41  -0.257  -1.412  -3.406
  307   3HG1  VAL  41          3HG1      VAL  41   1.207  -0.474  -3.102
  308   1HG2  VAL  41          1HG2      VAL  41  -0.760   0.019  -6.856
  309   2HG2  VAL  41          2HG2      VAL  41  -1.453  -1.116  -5.698
  310   3HG2  VAL  41          3HG2      VAL  41   0.083  -1.484  -6.484
  311    H    GLU  42           H        GLU  42  -2.980   1.280  -5.299
  312    HA   GLU  42           HA       GLU  42  -4.288   0.156  -2.945
  313   1HB   GLU  42          2HB       GLU  42  -6.404   0.733  -4.132
  314   2HB   GLU  42          1HB       GLU  42  -5.351   2.113  -3.857
  315   1HG   GLU  42          2HG       GLU  42  -4.596   1.999  -6.187
  316   2HG   GLU  42          1HG       GLU  42  -5.659   0.619  -6.462
  317    H    CYS  43           H        CYS  43  -4.416  -1.973  -2.796
  318    HA   CYS  43           HA       CYS  43  -4.028  -3.745  -4.989
  319   1HB   CYS  43          2HB       CYS  43  -3.287  -4.401  -2.789
  320   2HB   CYS  43          1HB       CYS  43  -4.922  -4.267  -2.149
  321    HG   CYS  43           HG       CYS  43  -3.668  -6.969  -2.786
  322    HA   PRO  44           HA       PRO  44  -8.423  -3.754  -6.166
  323   1HB   PRO  44          2HB       PRO  44  -7.487  -5.351  -8.448
  324   2HB   PRO  44          1HB       PRO  44  -8.275  -3.772  -8.438
  325   1HG   PRO  44          2HG       PRO  44  -5.677  -4.069  -9.108
  326   2HG   PRO  44          1HG       PRO  44  -6.279  -2.624  -8.271
  327   1HD   PRO  44          2HD       PRO  44  -4.846  -5.011  -7.135
  328   2HD   PRO  44          1HD       PRO  44  -4.595  -3.282  -6.798
  329    H    TYR  45           H        TYR  45  -6.282  -6.265  -5.370
  330    HA   TYR  45           HA       TYR  45  -8.081  -8.465  -5.927
  331   1HB   TYR  45          2HB       TYR  45  -5.418  -8.444  -4.481
  332   2HB   TYR  45          1HB       TYR  45  -6.286  -9.876  -5.029
  333    HD1  TYR  45           HD2      TYR  45  -6.456 -10.373  -7.450
  334    HD2  TYR  45           HD1      TYR  45  -4.131  -7.104  -6.014
  335    HE1  TYR  45           HE2      TYR  45  -5.306 -10.238  -9.621
  336    HE2  TYR  45           HE1      TYR  45  -2.983  -6.961  -8.183
  337    HH   TYR  45           HH       TYR  45  -4.077  -8.522 -10.959
  338    H    CYS  46           H        CYS  46  -6.847  -6.791  -3.029
  339    HA   CYS  46           HA       CYS  46  -9.007  -8.077  -1.479
  340   1HB   CYS  46          2HB       CYS  46  -6.154  -7.684  -0.551
  341   2HB   CYS  46          1HB       CYS  46  -7.473  -8.284   0.448
  342    HG   CYS  46           HG       CYS  46  -7.869 -10.500  -1.430
  343    H    ASP  47           H        ASP  47  -8.071  -5.223  -2.602
  344    HA   ASP  47           HA       ASP  47  -8.507  -3.064  -2.111
  345   1HB   ASP  47          2HB       ASP  47 -10.495  -4.382  -0.254
  346   2HB   ASP  47          1HB       ASP  47 -10.456  -2.649  -0.566
  347    H    CYS  48           H        CYS  48  -6.336  -2.845  -1.246
  348    HA   CYS  48           HA       CYS  48  -6.396  -1.683   1.422
  349   1HB   CYS  48          2HB       CYS  48  -4.502  -3.945   0.723
  350   2HB   CYS  48          1HB       CYS  48  -4.288  -2.880   2.106
  351    HG   CYS  48           HG       CYS  48  -6.328  -3.801   3.584
  352    H    LYS  49           H        LYS  49  -4.778  -0.100   1.753
  353    HA   LYS  49           HA       LYS  49  -3.358   0.713  -0.697
  354   1HB   LYS  49          2HB       LYS  49  -4.802   2.410   0.325
  355   2HB   LYS  49          1HB       LYS  49  -3.933   2.258   1.847
  356   1HG   LYS  49          2HG       LYS  49  -1.872   3.039   0.698
  357   2HG   LYS  49          1HG       LYS  49  -2.826   3.299  -0.763
  358   1HD   LYS  49          2HD       LYS  49  -3.263   4.656   1.903
  359   2HD   LYS  49          1HD       LYS  49  -2.500   5.384   0.491
  360   1HE   LYS  49          2HE       LYS  49  -4.619   5.066  -0.761
  361   2HE   LYS  49          1HE       LYS  49  -5.365   4.448   0.714
  362   1HZ   LYS  49          1HZ       LYS  49  -5.889   6.764   0.420
  363   2HZ   LYS  49          2HZ       LYS  49  -4.254   7.169   0.316
  364   3HZ   LYS  49          3HZ       LYS  49  -4.886   6.595   1.774
  365    H    TYR  50           H        TYR  50  -1.369  -0.204  -0.804
  366    HA   TYR  50           HA       TYR  50   0.238  -0.511   1.622
  367   1HB   TYR  50          2HB       TYR  50   0.790  -1.382  -1.230
  368   2HB   TYR  50          1HB       TYR  50   1.819  -1.735   0.151
  369    HD1  TYR  50           HD1      TYR  50   1.019  -3.283   1.930
  370    HD2  TYR  50           HD2      TYR  50  -1.203  -2.644  -1.650
  371    HE1  TYR  50           HE1      TYR  50  -0.280  -5.321   2.378
  372    HE2  TYR  50           HE2      TYR  50  -2.504  -4.679  -1.207
  373    HH   TYR  50           HH       TYR  50  -2.432  -6.300   1.791
  374    H    VAL  51           H        VAL  51   1.385   1.208   2.257
  375    HA   VAL  51           HA       VAL  51   2.369   3.132   0.267
  376    HB   VAL  51           HB       VAL  51   2.215   3.346   3.284
  377   1HG1  VAL  51          1HG1      VAL  51   4.115   4.633   2.483
  378   2HG1  VAL  51          2HG1      VAL  51   2.816   5.726   2.954
  379   3HG1  VAL  51          3HG1      VAL  51   3.113   5.394   1.248
  380   1HG2  VAL  51          1HG2      VAL  51   0.603   4.695   1.111
  381   2HG2  VAL  51          2HG2      VAL  51   0.454   5.002   2.842
  382   3HG2  VAL  51          3HG2      VAL  51   0.032   3.420   2.185
  383    H    LEU  52           H        LEU  52   4.490   3.503  -0.124
  384    HA   LEU  52           HA       LEU  52   6.387   1.500   0.667
  385   1HB   LEU  52          2HB       LEU  52   6.382   2.445  -1.583
  386   2HB   LEU  52          1HB       LEU  52   6.723   4.041  -0.939
  387    HG   LEU  52           HG       LEU  52   8.931   3.245  -0.157
  388   1HD1  LEU  52          1HD1      LEU  52   8.167   0.676  -1.550
  389   2HD1  LEU  52          2HD1      LEU  52   8.401   0.900   0.185
  390   3HD1  LEU  52          3HD1      LEU  52   9.767   1.065  -0.918
  391   1HD2  LEU  52          1HD2      LEU  52   8.394   2.761  -3.096
  392   2HD2  LEU  52          2HD2      LEU  52   9.975   3.066  -2.370
  393   3HD2  LEU  52          3HD2      LEU  52   8.737   4.320  -2.340
  394    H    LYS  53           H        LYS  53   7.827   1.544   2.276
  395    HA   LYS  53           HA       LYS  53   8.019   3.521   4.235
  396   1HB   LYS  53          2HB       LYS  53   8.716   1.282   4.706
  397   2HB   LYS  53          1HB       LYS  53   9.908   1.312   3.417
  398   1HG   LYS  53          2HG       LYS  53  11.257   2.905   4.658
  399   2HG   LYS  53          1HG       LYS  53  10.036   2.978   5.931
  400   1HD   LYS  53          2HD       LYS  53  10.418   0.682   6.521
  401   2HD   LYS  53          1HD       LYS  53  11.453   0.437   5.115
  402   1HE   LYS  53          2HE       LYS  53  12.076   2.324   7.391
  403   2HE   LYS  53          1HE       LYS  53  12.702   0.684   7.252
  404   1HZ   LYS  53          1HZ       LYS  53  13.786   1.295   5.195
  405   2HZ   LYS  53          2HZ       LYS  53  14.280   2.328   6.439
  406   3HZ   LYS  53          3HZ       LYS  53  13.165   2.863   5.291
  407    H    GLY  54           H        GLY  54   8.532   5.593   3.731
  408   1HA   GLY  54          2HA       GLY  54  10.486   7.089   3.491
  409   2HA   GLY  54          1HA       GLY  54  11.003   6.072   2.155
  410    H    SER  55           H        SER  55   7.840   6.100   1.701
  411    HA   SER  55           HA       SER  55   7.820   7.948  -0.442
  412   1HB   SER  55          2HB       SER  55   6.297   6.141  -0.574
  413   2HB   SER  55          1HB       SER  55   5.642   6.464   1.030
  414    HG   SER  55           HG       SER  55   4.241   7.178  -0.628
  415    H    LYS  56           H        LYS  56   6.732   9.964  -0.679
  416    HA   LYS  56           HA       LYS  56   6.602  11.604   1.660
  417   1HB   LYS  56          2HB       LYS  56   5.476  13.275   0.025
  418   2HB   LYS  56          1HB       LYS  56   7.168  12.870  -0.183
  419   1HG   LYS  56          2HG       LYS  56   6.043  12.985  -2.317
  420   2HG   LYS  56          1HG       LYS  56   6.595  11.346  -2.000
  421   1HD   LYS  56          2HD       LYS  56   4.402  10.576  -1.588
  422   2HD   LYS  56          1HD       LYS  56   3.774  12.215  -1.414
  423   1HE   LYS  56          2HE       LYS  56   3.181  11.096  -3.575
  424   2HE   LYS  56          1HE       LYS  56   4.006  12.644  -3.749
  425   1HZ   LYS  56          1HZ       LYS  56   4.872  11.012  -5.288
  426   2HZ   LYS  56          2HZ       LYS  56   5.277   9.968  -4.017
  427   3HZ   LYS  56          3HZ       LYS  56   6.068  11.453  -4.177
  428    H    ALA  57           H        ALA  57   4.428   9.377   0.399
  429    HA   ALA  57           HA       ALA  57   2.002  10.494   1.429
  430   1HB   ALA  57          1HB       ALA  57   1.982   8.680  -0.219
  431   2HB   ALA  57          2HB       ALA  57   1.111   8.216   1.243
  432   3HB   ALA  57          3HB       ALA  57   2.737   7.597   0.952
  433    H    ASP  58           H        ASP  58   4.695   8.756   2.794
  434    HA   ASP  58           HA       ASP  58   3.430   8.329   5.375
  435   1HB   ASP  58          2HB       ASP  58   5.144   6.775   4.297
  436   2HB   ASP  58          1HB       ASP  58   6.353   8.009   4.624
  437    H    ALA  59           H        ALA  59   5.149   9.067   7.270
  438    HA   ALA  59           HA       ALA  59   5.840  10.796   8.568
  439   1HB   ALA  59          1HB       ALA  59   7.279  12.491   7.562
  440   2HB   ALA  59          2HB       ALA  59   6.746  12.010   5.952
  441   3HB   ALA  59          3HB       ALA  59   7.679  10.889   6.944
  442    H    LEU  60           H        LEU  60   3.644  11.267   9.122
  443    HA   LEU  60           HA       LEU  60   2.111  13.144   7.554
  444   1HB   LEU  60          2HB       LEU  60   1.551  11.894  10.250
  445   2HB   LEU  60          1HB       LEU  60   0.419  12.893   9.360
  446    HG   LEU  60           HG       LEU  60   0.564  11.167   7.487
  447   1HD1  LEU  60          1HD1      LEU  60   2.615  10.052   8.190
  448   2HD1  LEU  60          2HD1      LEU  60   1.270   8.915   8.095
  449   3HD1  LEU  60          3HD1      LEU  60   1.821   9.501   9.665
  450   1HD2  LEU  60          1HD2      LEU  60  -1.376  11.357   8.948
  451   2HD2  LEU  60          2HD2      LEU  60  -0.596  10.324  10.146
  452   3HD2  LEU  60          3HD2      LEU  60  -1.044   9.666   8.571
  453    H    GLU  61           H        GLU  61   4.636  13.683   9.531
  454    HA   GLU  61           HA       GLU  61   3.666  15.891  11.094
  455   1HB   GLU  61          2HB       GLU  61   5.786  14.336  11.398
  456   2HB   GLU  61          1HB       GLU  61   6.567  15.540  10.387
  457   1HG   GLU  61          2HG       GLU  61   5.286  15.957  13.085
  458   2HG   GLU  61          1HG       GLU  61   6.998  16.062  12.681
  459    H    HIS  62           H        HIS  62   2.804  17.568   9.895
  460    HA   HIS  62           HA       HIS  62   4.121  18.347   7.398
  461   1HB   HIS  62          2HB       HIS  62   1.400  19.030   8.512
  462   2HB   HIS  62          1HB       HIS  62   2.031  19.680   7.002
  463    HD1  HIS  62           HD1      HIS  62   2.539  17.835   5.092
  464    HD2  HIS  62           HD2      HIS  62   0.233  16.565   8.308
  465    HE1  HIS  62           HE1      HIS  62   1.421  15.728   4.323
  466    HE2  HIS  62           HE2      HIS  62  -0.137  15.119   6.198
  467    H    HIS  63           H        HIS  63   4.642  19.316  10.458
  468    HA   HIS  63           HA       HIS  63   4.620  22.166  10.127
  469   1HB   HIS  63          2HB       HIS  63   4.666  21.166  12.361
  470   2HB   HIS  63          1HB       HIS  63   6.229  20.431  12.026
  471    HD1  HIS  63           HD1      HIS  63   4.647  23.814  12.626
  472    HD2  HIS  63           HD2      HIS  63   8.413  22.059  12.499
  473    HE1  HIS  63           HE1      HIS  63   6.232  25.554  13.488
  474    HE2  HIS  63           HE2      HIS  63   8.471  24.419  13.549
  475    H    HIS  64           H        HIS  64   6.609  19.659   8.951
  476    HA   HIS  64           HA       HIS  64   8.981  21.139   8.424
  477   1HB   HIS  64          2HB       HIS  64   7.854  18.747   6.944
  478   2HB   HIS  64          1HB       HIS  64   9.501  19.348   6.814
  479    HD1  HIS  64           HD1      HIS  64   7.504  16.943   8.601
  480    HD2  HIS  64           HD2      HIS  64  10.918  19.156   9.420
  481    HE1  HIS  64           HE1      HIS  64   8.627  15.764  10.503
  482    HE2  HIS  64           HE2      HIS  64  10.785  17.006  10.841
  483    H    HIS  65           H        HIS  65   8.528  23.129   7.480
  484    HA   HIS  65           HA       HIS  65   7.023  23.256   4.983
  485   1HB   HIS  65          2HB       HIS  65   8.424  25.375   6.629
  486   2HB   HIS  65          1HB       HIS  65   7.637  25.712   5.092
  487    HD1  HIS  65           HD1      HIS  65   5.191  26.205   5.172
  488    HD2  HIS  65           HD2      HIS  65   6.552  24.453   8.683
  489    HE1  HIS  65           HE1      HIS  65   3.259  26.304   6.763
  490    HE2  HIS  65           HE2      HIS  65   4.037  25.037   8.789
  491    H    HIS  66           H        HIS  66  10.272  24.364   5.976
  492    HA   HIS  66           HA       HIS  66  11.307  23.519   3.336
  493   1HB   HIS  66          2HB       HIS  66  12.844  25.463   3.385
  494   2HB   HIS  66          1HB       HIS  66  11.153  25.953   3.353
  495    HD1  HIS  66           HD1      HIS  66  14.177  25.916   5.563
  496    HD2  HIS  66           HD2      HIS  66  10.284  27.358   5.609
  497    HE1  HIS  66           HE1      HIS  66  14.061  27.464   7.525
  498    HE2  HIS  66           HE2      HIS  66  11.787  28.533   7.353
  499    H    HIS  67           H        HIS  67  11.236  22.317   6.067
  500    HA   HIS  67           HA       HIS  67  13.765  21.093   6.110
  501   1HB   HIS  67          2HB       HIS  67  14.573  23.214   7.027
  502   2HB   HIS  67          1HB       HIS  67  13.335  23.172   8.280
  503    HD1  HIS  67           HD1      HIS  67  16.554  21.494   7.263
  504    HD2  HIS  67           HD2      HIS  67  13.945  21.603  10.495
  505    HE1  HIS  67           HE1      HIS  67  17.729  20.290   9.117
  506    HE2  HIS  67           HE2      HIS  67  16.206  20.508  11.100
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -14.619  14.506   4.195
    2   2H    MET   1          2H        MET   1 -15.099  13.819   2.726
    3   3H    MET   1          3H        MET   1 -13.457  13.953   3.099
    4    HA   MET   1           HA       MET   1 -13.708  12.416   4.935
    5   1HB   MET   1          2HB       MET   1 -15.828  11.170   5.168
    6   2HB   MET   1          1HB       MET   1 -16.028  12.888   5.479
    7   1HG   MET   1          2HG       MET   1 -16.738  11.496   2.898
    8   2HG   MET   1          1HG       MET   1 -17.877  11.949   4.167
    9   1HE   MET   1          1HE       MET   1 -19.285  13.191   2.209
   10   2HE   MET   1          2HE       MET   1 -18.046  12.799   1.018
   11   3HE   MET   1          3HE       MET   1 -18.608  14.461   1.189
   12    H    THR   2           H        THR   2 -14.002   9.952   4.590
   13    HA   THR   2           HA       THR   2 -13.227   9.345   1.798
   14    HB   THR   2           HB       THR   2 -12.527   7.765   4.295
   15    HG1  THR   2           HG1      THR   2 -11.005   9.192   4.568
   16   1HG2  THR   2          1HG2      THR   2 -12.492   6.398   2.285
   17   2HG2  THR   2          2HG2      THR   2 -10.845   6.699   2.832
   18   3HG2  THR   2          3HG2      THR   2 -11.492   7.595   1.458
   19    H    ILE   3           H        ILE   3 -13.868   7.242   0.942
   20    HA   ILE   3           HA       ILE   3 -16.576   6.530   1.435
   21    HB   ILE   3           HB       ILE   3 -15.367   6.352  -0.754
   22   1HG1  ILE   3          2HG1      ILE   3 -16.693   3.780   0.155
   23   2HG1  ILE   3          1HG1      ILE   3 -17.545   5.225  -0.377
   24   1HG2  ILE   3          1HG2      ILE   3 -14.019   4.353  -1.212
   25   2HG2  ILE   3          2HG2      ILE   3 -14.145   3.883   0.482
   26   3HG2  ILE   3          3HG2      ILE   3 -13.291   5.361   0.040
   27   1HD1  ILE   3          1HD1      ILE   3 -16.482   5.002  -2.587
   28   2HD1  ILE   3          2HD1      ILE   3 -17.476   3.610  -2.154
   29   3HD1  ILE   3          3HD1      ILE   3 -15.720   3.507  -2.043
   30    H    GLN   4           H        GLN   4 -14.358   6.051   3.582
   31    HA   GLN   4           HA       GLN   4 -13.926   4.696   5.303
   32   1HB   GLN   4          2HB       GLN   4 -16.473   4.726   5.364
   33   2HB   GLN   4          1HB       GLN   4 -16.416   3.142   4.603
   34   1HG   GLN   4          2HG       GLN   4 -14.931   3.681   7.154
   35   2HG   GLN   4          1HG       GLN   4 -16.647   3.303   7.165
   36   1HE2  GLN   4          1HE2      GLN   4 -14.302   1.836   8.209
   37   2HE2  GLN   4          2HE2      GLN   4 -14.396   0.263   7.498
   38    H    ALA   5           H        ALA   5 -12.066   3.812   4.574
   39    HA   ALA   5           HA       ALA   5 -11.949   0.995   4.375
   40   1HB   ALA   5          1HB       ALA   5 -11.083   0.729   2.110
   41   2HB   ALA   5          2HB       ALA   5 -11.298   2.454   1.804
   42   3HB   ALA   5          3HB       ALA   5 -12.702   1.422   2.071
   43    HA   PRO   6           HA       PRO   6  -8.154   3.480   5.578
   44   1HB   PRO   6          2HB       PRO   6  -8.434   2.574   8.307
   45   2HB   PRO   6          1HB       PRO   6  -8.585   4.213   7.678
   46   1HG   PRO   6          2HG       PRO   6 -10.682   2.769   8.703
   47   2HG   PRO   6          1HG       PRO   6 -10.865   4.076   7.519
   48   1HD   PRO   6          2HD       PRO   6 -10.845   1.107   7.078
   49   2HD   PRO   6          1HD       PRO   6 -11.887   2.350   6.349
   50    H    GLU   7           H        GLU   7  -8.438   0.662   4.630
   51    HA   GLU   7           HA       GLU   7  -6.748  -0.977   6.274
   52   1HB   GLU   7          2HB       GLU   7  -7.607  -1.374   3.396
   53   2HB   GLU   7          1HB       GLU   7  -6.892  -2.599   4.439
   54   1HG   GLU   7          2HG       GLU   7  -8.830  -2.538   5.893
   55   2HG   GLU   7          1HG       GLU   7  -9.526  -1.226   4.947
   56    H    THR   8           H        THR   8  -5.005   0.590   6.434
   57    HA   THR   8           HA       THR   8  -3.347   0.949   4.033
   58    HB   THR   8           HB       THR   8  -3.079   2.229   6.769
   59    HG1  THR   8           HG1      THR   8  -3.717   4.066   5.091
   60   1HG2  THR   8          1HG2      THR   8  -1.689   2.877   4.156
   61   2HG2  THR   8          2HG2      THR   8  -0.933   2.146   5.574
   62   3HG2  THR   8          3HG2      THR   8  -1.546   3.799   5.650
   63    H    LYS   9           H        LYS   9  -1.251   0.210   3.850
   64    HA   LYS   9           HA       LYS   9  -0.124  -1.377   6.063
   65   1HB   LYS   9          2HB       LYS   9  -1.238  -2.848   4.366
   66   2HB   LYS   9          1HB       LYS   9  -0.118  -2.240   3.161
   67   1HG   LYS   9          2HG       LYS   9   0.629  -4.393   3.961
   68   2HG   LYS   9          1HG       LYS   9   1.765  -3.145   4.473
   69   1HD   LYS   9          2HD       LYS   9   0.767  -3.127   6.707
   70   2HD   LYS   9          1HD       LYS   9  -0.417  -4.333   6.201
   71   1HE   LYS   9          2HE       LYS   9   1.365  -5.946   5.808
   72   2HE   LYS   9          1HE       LYS   9   2.572  -4.742   6.251
   73   1HZ   LYS   9          1HZ       LYS   9   0.480  -5.844   8.045
   74   2HZ   LYS   9          2HZ       LYS   9   1.626  -4.680   8.476
   75   3HZ   LYS   9          3HZ       LYS   9   2.121  -6.243   8.073
   76    H    ILE  10           H        ILE  10   1.786  -0.503   6.585
   77    HA   ILE  10           HA       ILE  10   3.215   1.162   4.661
   78    HB   ILE  10           HB       ILE  10   3.840   0.633   7.582
   79   1HG1  ILE  10          2HG1      ILE  10   2.348   2.946   6.293
   80   2HG1  ILE  10          1HG1      ILE  10   1.627   1.678   7.281
   81   1HG2  ILE  10          1HG2      ILE  10   5.764   1.422   6.277
   82   2HG2  ILE  10          2HG2      ILE  10   5.230   2.626   7.448
   83   3HG2  ILE  10          3HG2      ILE  10   4.825   2.818   5.741
   84   1HD1  ILE  10          1HD1      ILE  10   3.649   3.701   8.228
   85   2HD1  ILE  10          2HD1      ILE  10   2.890   2.447   9.212
   86   3HD1  ILE  10          3HD1      ILE  10   1.914   3.744   8.528
   87    H    VAL  11           H        VAL  11   4.505   0.058   3.275
   88    HA   VAL  11           HA       VAL  11   5.982  -2.302   4.251
   89    HB   VAL  11           HB       VAL  11   5.838  -1.521   1.355
   90   1HG1  VAL  11          1HG1      VAL  11   7.349  -3.328   2.010
   91   2HG1  VAL  11          2HG1      VAL  11   6.041  -3.926   0.994
   92   3HG1  VAL  11          3HG1      VAL  11   6.002  -4.202   2.735
   93   1HG2  VAL  11          1HG2      VAL  11   3.524  -1.451   2.138
   94   2HG2  VAL  11          2HG2      VAL  11   3.700  -3.063   2.834
   95   3HG2  VAL  11          3HG2      VAL  11   3.794  -2.841   1.085
   96    H    ASP  12           H        ASP  12   8.209  -2.526   3.867
   97    HA   ASP  12           HA       ASP  12   9.657   0.001   3.767
   98   1HB   ASP  12          2HB       ASP  12  10.648  -2.809   4.330
   99   2HB   ASP  12          1HB       ASP  12  11.577  -1.323   4.540
  100    H    LYS  13           H        LYS  13   8.655  -2.222   1.546
  101    HA   LYS  13           HA       LYS  13  10.798  -1.527  -0.355
  102   1HB   LYS  13          2HB       LYS  13   9.480  -4.238  -0.044
  103   2HB   LYS  13          1HB       LYS  13  10.542  -3.797  -1.374
  104   1HG   LYS  13          2HG       LYS  13  12.407  -3.536   0.145
  105   2HG   LYS  13          1HG       LYS  13  11.357  -3.838   1.531
  106   1HD   LYS  13          2HD       LYS  13  10.900  -6.100   0.685
  107   2HD   LYS  13          1HD       LYS  13  11.965  -5.799  -0.687
  108   1HE   LYS  13          2HE       LYS  13  12.858  -5.683   2.197
  109   2HE   LYS  13          1HE       LYS  13  12.998  -7.117   1.179
  110   1HZ   LYS  13          1HZ       LYS  13  14.260  -4.488   0.618
  111   2HZ   LYS  13          2HZ       LYS  13  14.416  -5.886  -0.321
  112   3HZ   LYS  13          3HZ       LYS  13  15.052  -5.845   1.245
  113    H    SER  14           H        SER  14  10.136  -1.363  -2.565
  114    HA   SER  14           HA       SER  14   7.394  -0.524  -2.918
  115   1HB   SER  14          2HB       SER  14   9.597  -0.729  -4.992
  116   2HB   SER  14          1HB       SER  14   8.075   0.142  -5.170
  117    HG   SER  14           HG       SER  14   9.376   1.723  -4.515
  118    H    ARG  15           H        ARG  15   8.880  -3.503  -3.063
  119    HA   ARG  15           HA       ARG  15   7.205  -4.564  -5.221
  120   1HB   ARG  15          2HB       ARG  15   9.371  -5.890  -3.570
  121   2HB   ARG  15          1HB       ARG  15   8.532  -6.630  -4.931
  122   1HG   ARG  15          2HG       ARG  15   9.470  -5.054  -6.462
  123   2HG   ARG  15          1HG       ARG  15  10.137  -4.092  -5.146
  124   1HD   ARG  15          2HD       ARG  15  11.586  -6.025  -4.536
  125   2HD   ARG  15          1HD       ARG  15  10.971  -6.881  -5.951
  126    HE   ARG  15           HE       ARG  15  11.892  -4.566  -6.993
  127   1HH1  ARG  15          1HH1      ARG  15  13.327  -6.950  -4.959
  128   2HH1  ARG  15          2HH1      ARG  15  14.927  -6.623  -5.533
  129   1HH2  ARG  15          1HH2      ARG  15  13.947  -4.174  -7.712
  130   2HH2  ARG  15          2HH2      ARG  15  15.267  -5.087  -7.077
  131    H    VAL  16           H        VAL  16   5.245  -5.331  -4.759
  132    HA   VAL  16           HA       VAL  16   4.702  -6.291  -2.010
  133    HB   VAL  16           HB       VAL  16   2.972  -4.487  -3.716
  134   1HG1  VAL  16          1HG1      VAL  16   1.360  -4.529  -1.865
  135   2HG1  VAL  16          2HG1      VAL  16   2.337  -5.743  -1.039
  136   3HG1  VAL  16          3HG1      VAL  16   1.568  -6.129  -2.579
  137   1HG2  VAL  16          1HG2      VAL  16   3.216  -2.925  -1.804
  138   2HG2  VAL  16          2HG2      VAL  16   4.753  -3.292  -2.586
  139   3HG2  VAL  16          3HG2      VAL  16   4.339  -4.058  -1.052
  140    H    ALA  17           H        ALA  17   3.629  -8.162  -1.800
  141    HA   ALA  17           HA       ALA  17   2.365  -9.377  -4.166
  142   1HB   ALA  17          1HB       ALA  17   4.088 -10.719  -3.052
  143   2HB   ALA  17          2HB       ALA  17   2.508 -11.496  -2.963
  144   3HB   ALA  17          3HB       ALA  17   3.163 -10.666  -1.551
  145    H    CYS  18           H        CYS  18   0.246  -8.939  -4.315
  146    HA   CYS  18           HA       CYS  18  -1.414  -8.848  -1.866
  147   1HB   CYS  18          2HB       CYS  18  -2.013  -7.733  -4.619
  148   2HB   CYS  18          1HB       CYS  18  -3.045  -7.582  -3.198
  149    HG   CYS  18           HG       CYS  18  -0.363  -6.384  -2.089
  150    H    ASP  19           H        ASP  19  -3.836  -9.488  -2.454
  151    HA   ASP  19           HA       ASP  19  -3.785 -11.921  -4.126
  152   1HB   ASP  19          2HB       ASP  19  -4.805 -11.565  -1.333
  153   2HB   ASP  19          1HB       ASP  19  -5.567 -12.753  -2.389
  154    H    GLY  20           H        GLY  20  -4.576 -10.085  -5.616
  155   1HA   GLY  20          2HA       GLY  20  -7.319 -10.680  -6.161
  156   2HA   GLY  20          1HA       GLY  20  -7.153  -9.057  -5.513
  157    H    GLY  21           H        GLY  21  -7.352 -10.704  -8.395
  158   1HA   GLY  21          2HA       GLY  21  -7.214  -8.706 -10.123
  159   2HA   GLY  21          1HA       GLY  21  -5.505  -8.909  -9.825
  160    H    GLU  22           H        GLU  22  -5.237 -11.681  -9.896
  161    HA   GLU  22           HA       GLU  22  -5.465 -11.975 -12.805
  162   1HB   GLU  22          2HB       GLU  22  -3.722 -13.466 -10.837
  163   2HB   GLU  22          1HB       GLU  22  -3.681 -13.662 -12.587
  164   1HG   GLU  22          2HG       GLU  22  -3.043 -11.284 -12.802
  165   2HG   GLU  22          1HG       GLU  22  -3.001 -11.160 -11.045
  166    H    GLY  23           H        GLY  23  -5.512 -14.316 -13.608
  167   1HA   GLY  23          2HA       GLY  23  -7.090 -15.883 -14.218
  168   2HA   GLY  23          1HA       GLY  23  -6.772 -16.475 -12.602
  169    H    ALA  24           H        ALA  24  -8.362 -16.277 -11.030
  170    HA   ALA  24           HA       ALA  24 -11.027 -15.511 -11.955
  171   1HB   ALA  24          1HB       ALA  24 -11.803 -16.527  -9.861
  172   2HB   ALA  24          2HB       ALA  24 -10.130 -16.759  -9.354
  173   3HB   ALA  24          3HB       ALA  24 -10.752 -17.616 -10.765
  174    H    LEU  25           H        LEU  25  -8.771 -13.627 -11.184
  175    HA   LEU  25           HA       LEU  25  -8.316 -11.713 -10.141
  176   1HB   LEU  25          2HB       LEU  25 -10.057 -10.008 -10.159
  177   2HB   LEU  25          1HB       LEU  25  -9.962 -10.900 -11.659
  178    HG   LEU  25           HG       LEU  25 -11.987 -12.228 -10.851
  179   1HD1  LEU  25          1HD1      LEU  25 -11.890 -11.690  -8.487
  180   2HD1  LEU  25          2HD1      LEU  25 -13.416 -11.142  -9.179
  181   3HD1  LEU  25          3HD1      LEU  25 -12.132  -9.979  -8.843
  182   1HD2  LEU  25          1HD2      LEU  25 -13.560 -10.478 -11.539
  183   2HD2  LEU  25          2HD2      LEU  25 -12.136 -10.519 -12.579
  184   3HD2  LEU  25          3HD2      LEU  25 -12.294  -9.263 -11.348
  185    H    GLY  26           H        GLY  26  -9.535 -14.012  -8.340
  186   1HA   GLY  26          2HA       GLY  26  -9.817 -12.293  -5.944
  187   2HA   GLY  26          1HA       GLY  26 -10.829 -13.696  -6.215
  188    H    HIS  27           H        HIS  27  -7.851 -12.534  -5.012
  189    HA   HIS  27           HA       HIS  27  -6.179 -13.439  -3.794
  190   1HB   HIS  27          2HB       HIS  27  -8.090 -15.700  -3.194
  191   2HB   HIS  27          1HB       HIS  27  -6.806 -15.058  -2.162
  192    HD1  HIS  27           HD1      HIS  27  -7.371 -12.088  -2.239
  193    HD2  HIS  27           HD2      HIS  27 -10.384 -14.921  -1.931
  194    HE1  HIS  27           HE1      HIS  27  -9.363 -10.841  -1.413
  195    HE2  HIS  27           HE2      HIS  27 -11.196 -12.563  -1.245
  196    HA   PRO  28           HA       PRO  28  -4.834 -16.831  -6.675
  197   1HB   PRO  28          2HB       PRO  28  -4.300 -15.654  -8.990
  198   2HB   PRO  28          1HB       PRO  28  -5.978 -15.964  -8.523
  199   1HG   PRO  28          2HG       PRO  28  -4.479 -13.401  -8.577
  200   2HG   PRO  28          1HG       PRO  28  -6.209 -13.694  -8.793
  201   1HD   PRO  28          2HD       PRO  28  -4.822 -12.904  -6.392
  202   2HD   PRO  28          1HD       PRO  28  -6.564 -13.175  -6.612
  203    H    ARG  29           H        ARG  29  -3.402 -14.407  -5.085
  204    HA   ARG  29           HA       ARG  29  -1.379 -13.736  -4.549
  205   1HB   ARG  29          2HB       ARG  29  -1.122 -16.391  -4.935
  206   2HB   ARG  29          1HB       ARG  29   0.035 -15.792  -6.080
  207   1HG   ARG  29          2HG       ARG  29  -0.052 -15.148  -3.154
  208   2HG   ARG  29          1HG       ARG  29   1.019 -16.295  -3.932
  209   1HD   ARG  29          2HD       ARG  29   1.755 -14.299  -5.376
  210   2HD   ARG  29          1HD       ARG  29   1.019 -13.324  -4.104
  211    HE   ARG  29           HE       ARG  29   2.753 -13.856  -2.730
  212   1HH1  ARG  29          1HH1      ARG  29   2.764 -16.069  -5.379
  213   2HH1  ARG  29          2HH1      ARG  29   4.251 -16.807  -4.899
  214   1HH2  ARG  29          1HH2      ARG  29   4.657 -14.838  -2.124
  215   2HH2  ARG  29          2HH2      ARG  29   5.293 -16.130  -3.082
  216    H    VAL  30           H        VAL  30  -1.536 -11.928  -5.648
  217    HA   VAL  30           HA       VAL  30  -0.309 -11.751  -8.335
  218    HB   VAL  30           HB       VAL  30  -1.536  -9.696  -8.720
  219   1HG1  VAL  30          1HG1      VAL  30  -2.660 -11.818  -9.237
  220   2HG1  VAL  30          2HG1      VAL  30  -3.809 -10.557  -8.791
  221   3HG1  VAL  30          3HG1      VAL  30  -3.391 -11.817  -7.630
  222   1HG2  VAL  30          1HG2      VAL  30  -3.161  -8.817  -7.113
  223   2HG2  VAL  30          2HG2      VAL  30  -1.532  -8.807  -6.438
  224   3HG2  VAL  30          3HG2      VAL  30  -2.681 -10.048  -5.946
  225    H    TRP  31           H        TRP  31   1.059  -9.905  -8.803
  226    HA   TRP  31           HA       TRP  31   2.417  -8.859  -6.395
  227   1HB   TRP  31          2HB       TRP  31   3.657  -9.977  -8.918
  228   2HB   TRP  31          1HB       TRP  31   4.559  -9.042  -7.728
  229    HD1  TRP  31           HD       TRP  31   2.412 -12.293  -7.806
  230    HE1  TRP  31           HE1      TRP  31   3.395 -13.932  -6.081
  231    HE3  TRP  31           HE3      TRP  31   6.113  -9.313  -5.912
  232    HZ2  TRP  31           HZ2      TRP  31   5.505 -13.945  -4.178
  233    HZ3  TRP  31           HZ3      TRP  31   7.570 -10.212  -4.150
  234    HH2  TRP  31           HH       TRP  31   7.275 -12.484  -3.301
  235    H    LEU  32           H        LEU  32   2.229  -6.746  -6.275
  236    HA   LEU  32           HA       LEU  32   2.051  -5.132  -8.734
  237   1HB   LEU  32          2HB       LEU  32   1.191  -4.515  -5.901
  238   2HB   LEU  32          1HB       LEU  32   1.165  -3.341  -7.203
  239    HG   LEU  32           HG       LEU  32  -0.450  -4.859  -8.420
  240   1HD1  LEU  32          1HD1      LEU  32   0.031  -6.943  -7.266
  241   2HD1  LEU  32          2HD1      LEU  32  -1.671  -6.518  -7.099
  242   3HD1  LEU  32          3HD1      LEU  32  -0.563  -6.262  -5.750
  243   1HD2  LEU  32          1HD2      LEU  32  -1.194  -2.863  -7.212
  244   2HD2  LEU  32          2HD2      LEU  32  -1.334  -3.805  -5.727
  245   3HD2  LEU  32          3HD2      LEU  32  -2.383  -4.160  -7.101
  246    H    GLN  33           H        GLN  33   2.988  -2.887  -8.530
  247    HA   GLN  33           HA       GLN  33   5.487  -2.839  -6.950
  248   1HB   GLN  33          2HB       GLN  33   5.928  -3.429  -9.339
  249   2HB   GLN  33          1HB       GLN  33   5.196  -1.907  -9.820
  250   1HG   GLN  33          2HG       GLN  33   7.561  -1.651  -9.893
  251   2HG   GLN  33          1HG       GLN  33   6.960  -0.719  -8.523
  252   1HE2  GLN  33          1HE2      GLN  33   9.037  -0.764  -7.583
  253   2HE2  GLN  33          2HE2      GLN  33   9.658  -2.189  -6.831
  254    H    ILE  34           H        ILE  34   5.316  -1.188  -5.551
  255    HA   ILE  34           HA       ILE  34   3.441   0.905  -5.748
  256    HB   ILE  34           HB       ILE  34   5.949   0.785  -4.053
  257   1HG1  ILE  34          2HG1      ILE  34   3.071   0.125  -3.340
  258   2HG1  ILE  34          1HG1      ILE  34   4.337  -1.061  -3.639
  259   1HG2  ILE  34          1HG2      ILE  34   4.790   2.475  -2.638
  260   2HG2  ILE  34          2HG2      ILE  34   3.544   2.612  -3.877
  261   3HG2  ILE  34          3HG2      ILE  34   5.205   3.076  -4.244
  262   1HD1  ILE  34          1HD1      ILE  34   4.289   0.962  -1.409
  263   2HD1  ILE  34          2HD1      ILE  34   5.580  -0.202  -1.712
  264   3HD1  ILE  34          3HD1      ILE  34   3.970  -0.767  -1.265
  265    HA   PRO  35           HA       PRO  35   5.872   3.545  -8.486
  266   1HB   PRO  35          2HB       PRO  35   3.956   5.348  -9.036
  267   2HB   PRO  35          1HB       PRO  35   3.895   3.711  -9.702
  268   1HG   PRO  35          2HG       PRO  35   2.428   4.853  -7.353
  269   2HG   PRO  35          1HG       PRO  35   1.818   3.800  -8.638
  270   1HD   PRO  35          2HD       PRO  35   2.580   2.907  -6.145
  271   2HD   PRO  35          1HD       PRO  35   2.592   1.894  -7.601
  272    H    GLU  36           H        GLU  36   7.399   4.729  -7.450
  273    HA   GLU  36           HA       GLU  36   7.033   6.153  -5.060
  274   1HB   GLU  36          2HB       GLU  36   9.218   5.315  -5.969
  275   2HB   GLU  36          1HB       GLU  36   9.186   6.636  -7.133
  276   1HG   GLU  36          2HG       GLU  36   9.216   8.255  -5.289
  277   2HG   GLU  36          1HG       GLU  36   9.263   6.926  -4.130
  278    H    ASP  37           H        ASP  37   6.224   7.020  -8.263
  279    HA   ASP  37           HA       ASP  37   6.250   9.844  -8.031
  280   1HB   ASP  37          2HB       ASP  37   4.487   8.095  -9.763
  281   2HB   ASP  37          1HB       ASP  37   4.825   9.809 -10.010
  282    H    THR  38           H        THR  38   3.938   7.389  -7.047
  283    HA   THR  38           HA       THR  38   2.080   9.457  -6.044
  284    HB   THR  38           HB       THR  38   0.437   7.712  -5.733
  285    HG1  THR  38           HG1      THR  38   0.957   5.524  -6.169
  286   1HG2  THR  38          1HG2      THR  38   0.593   8.559  -8.011
  287   2HG2  THR  38          2HG2      THR  38   0.178   6.845  -8.029
  288   3HG2  THR  38          3HG2      THR  38   1.826   7.361  -8.396
  289    H    GLY  39           H        GLY  39   3.573   6.400  -4.976
  290   1HA   GLY  39          2HA       GLY  39   4.928   6.397  -2.937
  291   2HA   GLY  39          1HA       GLY  39   3.776   7.524  -2.242
  292    H    TRP  40           H        TRP  40   1.993   5.321  -3.966
  293    HA   TRP  40           HA       TRP  40   1.924   3.131  -2.127
  294   1HB   TRP  40          2HB       TRP  40  -0.364   3.610  -1.210
  295   2HB   TRP  40          1HB       TRP  40   0.883   4.708  -0.630
  296    HD1  TRP  40           HD       TRP  40   0.661   7.271  -1.266
  297    HE1  TRP  40           HE1      TRP  40  -1.222   8.664  -2.328
  298    HE3  TRP  40           HE3      TRP  40  -2.308   3.467  -2.981
  299    HZ2  TRP  40           HZ2      TRP  40  -3.642   8.219  -3.706
  300    HZ3  TRP  40           HZ3      TRP  40  -4.388   4.043  -4.156
  301    HH2  TRP  40           HH       TRP  40  -5.044   6.367  -4.513
  302    H    VAL  41           H        VAL  41   0.184   1.573  -2.592
  303    HA   VAL  41           HA       VAL  41  -1.514   2.059  -4.899
  304    HB   VAL  41           HB       VAL  41   0.552   1.246  -5.978
  305   1HG1  VAL  41          1HG1      VAL  41   1.350  -1.041  -5.612
  306   2HG1  VAL  41          2HG1      VAL  41   0.163  -1.252  -4.324
  307   3HG1  VAL  41          3HG1      VAL  41   1.462  -0.074  -4.142
  308   1HG2  VAL  41          1HG2      VAL  41  -1.699  -0.773  -6.052
  309   2HG2  VAL  41          2HG2      VAL  41  -0.444  -0.577  -7.279
  310   3HG2  VAL  41          3HG2      VAL  41  -1.610   0.714  -6.991
  311    H    GLU  42           H        GLU  42  -3.425   0.957  -4.702
  312    HA   GLU  42           HA       GLU  42  -3.606  -0.967  -2.471
  313   1HB   GLU  42          2HB       GLU  42  -5.835  -0.276  -2.058
  314   2HB   GLU  42          1HB       GLU  42  -4.905   1.196  -2.264
  315   1HG   GLU  42          2HG       GLU  42  -6.469  -0.001  -4.537
  316   2HG   GLU  42          1HG       GLU  42  -7.223   1.056  -3.349
  317    H    CYS  43           H        CYS  43  -4.753  -2.888  -2.704
  318    HA   CYS  43           HA       CYS  43  -5.316  -3.794  -5.410
  319   1HB   CYS  43          2HB       CYS  43  -4.328  -5.367  -3.776
  320   2HB   CYS  43          1HB       CYS  43  -5.751  -5.199  -2.757
  321    HG   CYS  43           HG       CYS  43  -5.519  -6.762  -5.789
  322    HA   PRO  44           HA       PRO  44  -9.342  -1.843  -4.931
  323   1HB   PRO  44          2HB       PRO  44 -10.297  -2.454  -7.428
  324   2HB   PRO  44          1HB       PRO  44  -9.164  -1.138  -7.109
  325   1HG   PRO  44          2HG       PRO  44  -8.607  -3.915  -8.098
  326   2HG   PRO  44          1HG       PRO  44  -7.949  -2.369  -8.672
  327   1HD   PRO  44          2HD       PRO  44  -6.545  -3.979  -7.041
  328   2HD   PRO  44          1HD       PRO  44  -6.444  -2.209  -6.915
  329    H    TYR  45           H        TYR  45  -8.733  -5.173  -5.269
  330    HA   TYR  45           HA       TYR  45 -11.528  -5.973  -5.389
  331   1HB   TYR  45          2HB       TYR  45  -9.038  -7.675  -5.105
  332   2HB   TYR  45          1HB       TYR  45 -10.664  -8.267  -5.435
  333    HD1  TYR  45           HD1      TYR  45  -7.827  -6.347  -6.831
  334    HD2  TYR  45           HD2      TYR  45 -11.569  -8.209  -7.659
  335    HE1  TYR  45           HE1      TYR  45  -7.411  -6.104  -9.240
  336    HE2  TYR  45           HE2      TYR  45 -11.158  -7.964 -10.069
  337    HH   TYR  45           HH       TYR  45  -9.854  -6.738 -11.607
  338    H    CYS  46           H        CYS  46  -9.206  -7.617  -3.308
  339    HA   CYS  46           HA       CYS  46 -10.419  -6.596  -0.875
  340   1HB   CYS  46          2HB       CYS  46 -10.685  -9.514  -1.635
  341   2HB   CYS  46          1HB       CYS  46 -11.009  -8.869  -0.029
  342    HG   CYS  46           HG       CYS  46 -13.402  -9.451  -1.463
  343    H    ASP  47           H        ASP  47  -8.225  -5.873  -0.612
  344    HA   ASP  47           HA       ASP  47  -6.663  -7.835   0.858
  345   1HB   ASP  47          2HB       ASP  47  -5.871  -7.868  -1.554
  346   2HB   ASP  47          1HB       ASP  47  -5.331  -6.212  -1.329
  347    H    CYS  48           H        CYS  48  -5.318  -4.781  -0.312
  348    HA   CYS  48           HA       CYS  48  -6.360  -3.009   1.578
  349   1HB   CYS  48          2HB       CYS  48  -4.517  -2.767   3.174
  350   2HB   CYS  48          1HB       CYS  48  -5.187  -4.392   3.247
  351    HG   CYS  48           HG       CYS  48  -3.031  -5.250   1.397
  352    H    LYS  49           H        LYS  49  -4.559  -1.141   1.986
  353    HA   LYS  49           HA       LYS  49  -3.511  -0.448  -0.680
  354   1HB   LYS  49          2HB       LYS  49  -5.197   1.095   0.138
  355   2HB   LYS  49          1HB       LYS  49  -4.336   1.296   1.657
  356   1HG   LYS  49          2HG       LYS  49  -2.501   2.398   0.516
  357   2HG   LYS  49          1HG       LYS  49  -3.285   2.131  -1.046
  358   1HD   LYS  49          2HD       LYS  49  -4.442   3.768   1.223
  359   2HD   LYS  49          1HD       LYS  49  -3.609   4.436  -0.182
  360   1HE   LYS  49          2HE       LYS  49  -5.312   3.495  -1.660
  361   2HE   LYS  49          1HE       LYS  49  -6.130   2.771  -0.275
  362   1HZ   LYS  49          1HZ       LYS  49  -5.711   5.689  -0.602
  363   2HZ   LYS  49          2HZ       LYS  49  -6.664   4.919   0.560
  364   3HZ   LYS  49          3HZ       LYS  49  -7.123   4.883  -1.061
  365    H    TYR  50           H        TYR  50  -1.343  -0.430  -0.932
  366    HA   TYR  50           HA       TYR  50   0.304  -0.743   1.472
  367   1HB   TYR  50          2HB       TYR  50   0.783  -1.459  -1.422
  368   2HB   TYR  50          1HB       TYR  50   2.018  -1.600  -0.175
  369    HD1  TYR  50           HD1      TYR  50  -1.299  -2.876  -1.253
  370    HD2  TYR  50           HD2      TYR  50   2.026  -3.424   1.342
  371    HE1  TYR  50           HE1      TYR  50  -2.148  -5.100  -0.631
  372    HE2  TYR  50           HE2      TYR  50   1.195  -5.642   1.959
  373    HH   TYR  50           HH       TYR  50  -1.602  -7.075   0.392
  374    H    VAL  51           H        VAL  51   1.076   1.099   2.211
  375    HA   VAL  51           HA       VAL  51   1.944   3.227   0.388
  376    HB   VAL  51           HB       VAL  51   1.771   3.188   3.416
  377   1HG1  VAL  51          1HG1      VAL  51   3.470   4.755   2.685
  378   2HG1  VAL  51          2HG1      VAL  51   2.052   5.639   3.248
  379   3HG1  VAL  51          3HG1      VAL  51   2.356   5.467   1.519
  380   1HG2  VAL  51          1HG2      VAL  51  -0.203   4.601   3.129
  381   2HG2  VAL  51          2HG2      VAL  51  -0.422   3.060   2.303
  382   3HG2  VAL  51          3HG2      VAL  51  -0.034   4.508   1.376
  383    H    LEU  52           H        LEU  52   4.039   3.780   0.036
  384    HA   LEU  52           HA       LEU  52   6.087   1.931   0.871
  385   1HB   LEU  52          2HB       LEU  52   6.045   2.818  -1.405
  386   2HB   LEU  52          1HB       LEU  52   6.256   4.448  -0.796
  387    HG   LEU  52           HG       LEU  52   8.499   3.857   0.026
  388   1HD1  LEU  52          1HD1      LEU  52   7.975   1.156  -1.219
  389   2HD1  LEU  52          2HD1      LEU  52   8.151   1.496   0.504
  390   3HD1  LEU  52          3HD1      LEU  52   9.522   1.713  -0.582
  391   1HD2  LEU  52          1HD2      LEU  52   8.069   3.148  -2.880
  392   2HD2  LEU  52          2HD2      LEU  52   9.603   3.624  -2.150
  393   3HD2  LEU  52          3HD2      LEU  52   8.270   4.774  -2.229
  394    H    LYS  53           H        LYS  53   7.246   2.093   2.628
  395    HA   LYS  53           HA       LYS  53   7.216   4.398   4.339
  396   1HB   LYS  53          2HB       LYS  53   7.213   2.004   5.096
  397   2HB   LYS  53          1HB       LYS  53   8.875   1.876   4.550
  398   1HG   LYS  53          2HG       LYS  53   9.616   3.441   6.203
  399   2HG   LYS  53          1HG       LYS  53   7.953   3.821   6.659
  400   1HD   LYS  53          2HD       LYS  53   7.642   1.481   7.394
  401   2HD   LYS  53          1HD       LYS  53   9.320   1.140   6.973
  402   1HE   LYS  53          2HE       LYS  53  10.070   2.757   8.645
  403   2HE   LYS  53          1HE       LYS  53   8.395   3.130   9.050
  404   1HZ   LYS  53          1HZ       LYS  53   9.433   1.549  10.596
  405   2HZ   LYS  53          2HZ       LYS  53   9.630   0.446   9.327
  406   3HZ   LYS  53          3HZ       LYS  53   8.080   0.897   9.819
  407    H    GLY  54           H        GLY  54   8.568   6.099   4.189
  408   1HA   GLY  54          2HA       GLY  54  10.591   7.238   3.878
  409   2HA   GLY  54          1HA       GLY  54  11.309   5.761   3.249
  410    H    SER  55           H        SER  55   8.567   7.851   2.378
  411    HA   SER  55           HA       SER  55   9.608   8.281  -0.309
  412   1HB   SER  55          2HB       SER  55   8.409   6.092  -0.431
  413   2HB   SER  55          1HB       SER  55   6.942   6.893   0.125
  414    HG   SER  55           HG       SER  55   7.933   6.728  -2.361
  415    H    LYS  56           H        LYS  56   6.875   9.000  -1.266
  416    HA   LYS  56           HA       LYS  56   6.749  11.642   0.020
  417   1HB   LYS  56          2HB       LYS  56   5.595  12.355  -2.042
  418   2HB   LYS  56          1HB       LYS  56   7.185  11.675  -2.356
  419   1HG   LYS  56          2HG       LYS  56   6.224   9.610  -3.120
  420   2HG   LYS  56          1HG       LYS  56   4.608  10.140  -2.650
  421   1HD   LYS  56          2HD       LYS  56   6.318  11.497  -4.739
  422   2HD   LYS  56          1HD       LYS  56   5.050  10.326  -5.094
  423   1HE   LYS  56          2HE       LYS  56   3.400  11.814  -4.027
  424   2HE   LYS  56          1HE       LYS  56   4.679  12.989  -3.717
  425   1HZ   LYS  56          1HZ       LYS  56   3.883  12.048  -6.416
  426   2HZ   LYS  56          2HZ       LYS  56   4.995  13.271  -6.061
  427   3HZ   LYS  56          3HZ       LYS  56   3.356  13.490  -5.711
  428    H    ALA  57           H        ALA  57   5.321   9.172   1.098
  429    HA   ALA  57           HA       ALA  57   2.567  10.251   0.976
  430   1HB   ALA  57          1HB       ALA  57   2.666   8.306  -0.495
  431   2HB   ALA  57          2HB       ALA  57   1.665   7.972   0.919
  432   3HB   ALA  57          3HB       ALA  57   3.304   7.326   0.825
  433    H    ASP  58           H        ASP  58   5.000   8.476   2.715
  434    HA   ASP  58           HA       ASP  58   3.521   8.149   5.132
  435   1HB   ASP  58          2HB       ASP  58   5.752   7.471   6.033
  436   2HB   ASP  58          1HB       ASP  58   5.258   6.578   4.609
  437    H    ALA  59           H        ALA  59   2.869  10.513   5.088
  438    HA   ALA  59           HA       ALA  59   4.880  12.328   6.229
  439   1HB   ALA  59          1HB       ALA  59   2.089  12.910   5.219
  440   2HB   ALA  59          2HB       ALA  59   3.581  13.121   4.301
  441   3HB   ALA  59          3HB       ALA  59   3.281  14.104   5.734
  442    H    LEU  60           H        LEU  60   3.722  10.139   7.804
  443    HA   LEU  60           HA       LEU  60   1.737  11.250   9.560
  444   1HB   LEU  60          2HB       LEU  60   3.383   8.723   9.752
  445   2HB   LEU  60          1HB       LEU  60   2.159   9.178  10.922
  446    HG   LEU  60           HG       LEU  60   0.470   9.131   9.053
  447   1HD1  LEU  60          1HD1      LEU  60   1.034   7.902   7.014
  448   2HD1  LEU  60          2HD1      LEU  60   2.724   7.842   7.515
  449   3HD1  LEU  60          3HD1      LEU  60   1.966   9.393   7.155
  450   1HD2  LEU  60          1HD2      LEU  60   0.694   7.290  10.643
  451   2HD2  LEU  60          2HD2      LEU  60   1.930   6.551   9.624
  452   3HD2  LEU  60          3HD2      LEU  60   0.274   6.698   9.038
  453    H    GLU  61           H        GLU  61   2.903  13.204  10.198
  454    HA   GLU  61           HA       GLU  61   5.159  12.893  11.997
  455   1HB   GLU  61          2HB       GLU  61   3.564  15.327  11.162
  456   2HB   GLU  61          1HB       GLU  61   4.928  15.383  12.273
  457   1HG   GLU  61          2HG       GLU  61   6.393  14.498  10.520
  458   2HG   GLU  61          1HG       GLU  61   5.026  14.453   9.405
  459    H    HIS  62           H        HIS  62   4.423  11.714  13.722
  460    HA   HIS  62           HA       HIS  62   2.755  13.201  15.631
  461   1HB   HIS  62          2HB       HIS  62   2.404  10.270  14.941
  462   2HB   HIS  62          1HB       HIS  62   1.697  11.039  16.355
  463    HD1  HIS  62           HD1      HIS  62  -0.340  12.538  16.000
  464    HD2  HIS  62           HD2      HIS  62   1.160  10.879  12.499
  465    HE1  HIS  62           HE1      HIS  62  -2.111  12.914  14.262
  466    HE2  HIS  62           HE2      HIS  62  -1.280  11.690  12.238
  467    H    HIS  63           H        HIS  63   4.536  13.716  16.941
  468    HA   HIS  63           HA       HIS  63   6.390  11.727  17.817
  469   1HB   HIS  63          2HB       HIS  63   7.047  14.066  17.902
  470   2HB   HIS  63          1HB       HIS  63   5.733  14.433  19.015
  471    HD1  HIS  63           HD1      HIS  63   8.598  11.894  19.051
  472    HD2  HIS  63           HD2      HIS  63   6.714  14.647  21.529
  473    HE1  HIS  63           HE1      HIS  63   9.798  11.758  21.246
  474    HE2  HIS  63           HE2      HIS  63   8.517  13.277  22.776
  475    H    HIS  64           H        HIS  64   5.086  10.009  18.457
  476    HA   HIS  64           HA       HIS  64   3.098  10.189  20.499
  477   1HB   HIS  64          2HB       HIS  64   3.515   8.358  18.648
  478   2HB   HIS  64          1HB       HIS  64   4.587   7.646  19.847
  479    HD1  HIS  64           HD1      HIS  64   3.321   5.659  20.646
  480    HD2  HIS  64           HD2      HIS  64   0.929   9.052  20.454
  481    HE1  HIS  64           HE1      HIS  64   1.098   4.965  21.572
  482    HE2  HIS  64           HE2      HIS  64  -0.273   7.070  21.611
  483    H    HIS  65           H        HIS  65   3.297   9.400  22.727
  484    HA   HIS  65           HA       HIS  65   5.684  10.311  23.968
  485   1HB   HIS  65          2HB       HIS  65   3.352  10.322  24.966
  486   2HB   HIS  65          1HB       HIS  65   3.556   8.601  25.274
  487    HD1  HIS  65           HD1      HIS  65   4.499  11.952  26.540
  488    HD2  HIS  65           HD2      HIS  65   5.474   7.985  27.295
  489    HE1  HIS  65           HE1      HIS  65   5.717  11.968  28.732
  490    HE2  HIS  65           HE2      HIS  65   6.127   9.542  29.253
  491    H    HIS  66           H        HIS  66   7.215   8.993  22.773
  492    HA   HIS  66           HA       HIS  66   8.562   6.980  23.951
  493   1HB   HIS  66          2HB       HIS  66   6.483   5.610  23.914
  494   2HB   HIS  66          1HB       HIS  66   6.456   5.723  22.159
  495    HD1  HIS  66           HD1      HIS  66   8.828   4.709  21.046
  496    HD2  HIS  66           HD2      HIS  66   7.671   3.344  24.791
  497    HE1  HIS  66           HE1      HIS  66  10.012   2.527  21.355
  498    HE2  HIS  66           HE2      HIS  66   9.117   1.623  23.520
  499    H    HIS  67           H        HIS  67   7.233   8.183  20.950
  500    HA   HIS  67           HA       HIS  67   9.785   7.676  19.570
  501   1HB   HIS  67          2HB       HIS  67   8.255   5.914  18.856
  502   2HB   HIS  67          1HB       HIS  67   7.021   7.106  18.455
  503    HD1  HIS  67           HD1      HIS  67   7.673   8.759  16.411
  504    HD2  HIS  67           HD2      HIS  67   9.975   5.320  16.803
  505    HE1  HIS  67           HE1      HIS  67   8.833   8.466  14.203
  506    HE2  HIS  67           HE2      HIS  67  10.360   6.501  14.534
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -13.988  -1.044  19.477
    2   2H    MET   1          2H        MET   1 -14.735   0.290  18.752
    3   3H    MET   1          3H        MET   1 -15.231  -0.226  20.282
    4    HA   MET   1           HA       MET   1 -13.895   1.756  20.456
    5   1HB   MET   1          2HB       MET   1 -12.236   0.923  22.080
    6   2HB   MET   1          1HB       MET   1 -13.814   0.187  22.301
    7   1HG   MET   1          2HG       MET   1 -13.045  -1.835  21.167
    8   2HG   MET   1          1HG       MET   1 -11.460  -1.101  20.923
    9   1HE   MET   1          1HE       MET   1 -10.097  -0.812  24.577
   10   2HE   MET   1          2HE       MET   1 -10.952   0.431  23.662
   11   3HE   MET   1          3HE       MET   1  -9.747  -0.579  22.866
   12    H    THR   2           H        THR   2 -12.538  -0.667  18.401
   13    HA   THR   2           HA       THR   2  -9.938   0.479  18.107
   14    HB   THR   2           HB       THR   2  -9.836  -0.998  16.032
   15    HG1  THR   2           HG1      THR   2 -11.546  -2.215  15.504
   16   1HG2  THR   2          1HG2      THR   2  -8.981  -1.778  18.189
   17   2HG2  THR   2          2HG2      THR   2  -9.751  -3.102  17.312
   18   3HG2  THR   2          3HG2      THR   2 -10.593  -2.320  18.649
   19    H    ILE   3           H        ILE   3  -9.322   2.175  16.863
   20    HA   ILE   3           HA       ILE   3 -11.076   3.377  14.932
   21    HB   ILE   3           HB       ILE   3  -9.043   4.677  14.215
   22   1HG1  ILE   3          2HG1      ILE   3  -7.698   3.210  16.510
   23   2HG1  ILE   3          1HG1      ILE   3  -7.349   2.948  14.805
   24   1HG2  ILE   3          1HG2      ILE   3  -9.656   4.692  17.175
   25   2HG2  ILE   3          2HG2      ILE   3 -10.561   5.536  15.920
   26   3HG2  ILE   3          3HG2      ILE   3  -8.900   6.006  16.274
   27   1HD1  ILE   3          1HD1      ILE   3  -6.573   5.262  14.620
   28   2HD1  ILE   3          2HD1      ILE   3  -5.667   4.344  15.822
   29   3HD1  ILE   3          3HD1      ILE   3  -6.896   5.500  16.340
   30    H    GLN   4           H        GLN   4 -11.526   1.259  13.927
   31    HA   GLN   4           HA       GLN   4  -9.408  -0.152  12.579
   32   1HB   GLN   4          2HB       GLN   4 -11.217  -1.740  11.985
   33   2HB   GLN   4          1HB       GLN   4 -11.117  -1.408  13.707
   34   1HG   GLN   4          2HG       GLN   4 -12.993   0.173  13.495
   35   2HG   GLN   4          1HG       GLN   4 -13.113  -0.231  11.782
   36   1HE2  GLN   4          1HE2      GLN   4 -15.203  -1.009  12.001
   37   2HE2  GLN   4          2HE2      GLN   4 -15.551  -2.507  12.781
   38    H    ALA   5           H        ALA   5 -10.392   2.590  11.575
   39    HA   ALA   5           HA       ALA   5 -11.555   2.102   9.004
   40   1HB   ALA   5          1HB       ALA   5 -11.256   4.476   8.603
   41   2HB   ALA   5          2HB       ALA   5 -10.216   4.605  10.024
   42   3HB   ALA   5          3HB       ALA   5 -11.924   4.198  10.213
   43    HA   PRO   6           HA       PRO   6  -6.924   3.402   7.573
   44   1HB   PRO   6          2HB       PRO   6  -5.643   1.611   9.610
   45   2HB   PRO   6          1HB       PRO   6  -5.019   3.079   8.845
   46   1HG   PRO   6          2HG       PRO   6  -5.983   3.168  11.320
   47   2HG   PRO   6          1HG       PRO   6  -6.318   4.481  10.173
   48   1HD   PRO   6          2HD       PRO   6  -8.115   2.301  11.136
   49   2HD   PRO   6          1HD       PRO   6  -8.505   3.975  10.693
   50    H    GLU   7           H        GLU   7  -7.653   2.209   5.813
   51    HA   GLU   7           HA       GLU   7  -7.147  -0.667   5.693
   52   1HB   GLU   7          2HB       GLU   7  -8.055  -0.470   3.395
   53   2HB   GLU   7          1HB       GLU   7  -9.144   0.220   4.592
   54   1HG   GLU   7          2HG       GLU   7  -8.297   2.475   4.030
   55   2HG   GLU   7          1HG       GLU   7  -7.280   1.755   2.783
   56    H    THR   8           H        THR   8  -4.987   1.333   6.064
   57    HA   THR   8           HA       THR   8  -3.411   0.979   3.586
   58    HB   THR   8           HB       THR   8  -3.275   3.303   5.532
   59    HG1  THR   8           HG1      THR   8  -4.938   2.816   3.465
   60   1HG2  THR   8          1HG2      THR   8  -1.921   2.886   2.862
   61   2HG2  THR   8          2HG2      THR   8  -1.126   2.841   4.437
   62   3HG2  THR   8          3HG2      THR   8  -1.833   4.345   3.848
   63    H    LYS   9           H        LYS   9  -1.295   0.274   3.771
   64    HA   LYS   9           HA       LYS   9  -0.236  -0.187   6.487
   65   1HB   LYS   9          2HB       LYS   9  -0.397  -2.261   4.284
   66   2HB   LYS   9          1HB       LYS   9   0.491  -2.463   5.786
   67   1HG   LYS   9          2HG       LYS   9  -1.601  -2.282   7.053
   68   2HG   LYS   9          1HG       LYS   9  -2.486  -2.057   5.543
   69   1HD   LYS   9          2HD       LYS   9  -1.678  -4.303   4.806
   70   2HD   LYS   9          1HD       LYS   9  -0.949  -4.515   6.400
   71   1HE   LYS   9          2HE       LYS   9  -3.886  -4.140   5.805
   72   2HE   LYS   9          1HE       LYS   9  -3.099  -5.638   6.293
   73   1HZ   LYS   9          1HZ       LYS   9  -4.135  -4.694   8.192
   74   2HZ   LYS   9          2HZ       LYS   9  -3.437  -3.181   7.921
   75   3HZ   LYS   9          3HZ       LYS   9  -2.467  -4.486   8.388
   76    H    ILE  10           H        ILE  10   1.856   0.325   6.686
   77    HA   ILE  10           HA       ILE  10   3.287   1.271   4.337
   78    HB   ILE  10           HB       ILE  10   4.121   1.321   7.250
   79   1HG1  ILE  10          2HG1      ILE  10   2.924   3.497   5.501
   80   2HG1  ILE  10          1HG1      ILE  10   2.096   2.661   6.810
   81   1HG2  ILE  10          1HG2      ILE  10   6.037   1.418   5.740
   82   2HG2  ILE  10          2HG2      ILE  10   5.784   2.978   6.521
   83   3HG2  ILE  10          3HG2      ILE  10   5.284   2.740   4.847
   84   1HD1  ILE  10          1HD1      ILE  10   3.683   3.609   8.412
   85   2HD1  ILE  10          2HD1      ILE  10   2.833   4.860   7.505
   86   3HD1  ILE  10          3HD1      ILE  10   4.499   4.452   7.095
   87    H    VAL  11           H        VAL  11   4.564  -0.014   3.191
   88    HA   VAL  11           HA       VAL  11   5.945  -2.275   4.493
   89    HB   VAL  11           HB       VAL  11   6.187  -3.248   2.239
   90   1HG1  VAL  11          1HG1      VAL  11   3.339  -2.534   2.962
   91   2HG1  VAL  11          2HG1      VAL  11   4.268  -3.897   3.588
   92   3HG1  VAL  11          3HG1      VAL  11   3.824  -3.841   1.881
   93   1HG2  VAL  11          1HG2      VAL  11   6.211  -1.193   0.917
   94   2HG2  VAL  11          2HG2      VAL  11   4.518  -0.898   1.318
   95   3HG2  VAL  11          3HG2      VAL  11   4.962  -2.293   0.333
   96    H    ASP  12           H        ASP  12   8.147  -2.786   3.537
   97    HA   ASP  12           HA       ASP  12   9.669  -0.286   3.499
   98   1HB   ASP  12          2HB       ASP  12  10.607  -3.147   3.782
   99   2HB   ASP  12          1HB       ASP  12  11.627  -1.721   3.934
  100    H    LYS  13           H        LYS  13   8.712  -2.773   1.316
  101    HA   LYS  13           HA       LYS  13  10.652  -1.821  -0.701
  102   1HB   LYS  13          2HB       LYS  13   9.499  -4.608  -0.426
  103   2HB   LYS  13          1HB       LYS  13  10.588  -4.075  -1.700
  104   1HG   LYS  13          2HG       LYS  13  12.328  -3.639  -0.020
  105   2HG   LYS  13          1HG       LYS  13  11.235  -4.206   1.245
  106   1HD   LYS  13          2HD       LYS  13  11.143  -6.417   0.143
  107   2HD   LYS  13          1HD       LYS  13  12.282  -5.839  -1.076
  108   1HE   LYS  13          2HE       LYS  13  13.945  -5.436   0.709
  109   2HE   LYS  13          1HE       LYS  13  12.809  -6.090   1.891
  110   1HZ   LYS  13          1HZ       LYS  13  12.850  -8.193   0.638
  111   2HZ   LYS  13          2HZ       LYS  13  14.365  -7.776   1.250
  112   3HZ   LYS  13          3HZ       LYS  13  14.027  -7.552  -0.389
  113    H    SER  14           H        SER  14   9.971  -1.740  -2.888
  114    HA   SER  14           HA       SER  14   7.314  -0.766  -3.244
  115   1HB   SER  14          2HB       SER  14   9.409  -1.426  -5.334
  116   2HB   SER  14          1HB       SER  14   7.950  -0.476  -5.611
  117    HG   SER  14           HG       SER  14   9.254   1.118  -5.120
  118    H    ARG  15           H        ARG  15   8.704  -3.910  -3.590
  119    HA   ARG  15           HA       ARG  15   6.579  -4.916  -5.308
  120   1HB   ARG  15          2HB       ARG  15   8.883  -6.331  -3.948
  121   2HB   ARG  15          1HB       ARG  15   7.736  -7.106  -5.036
  122   1HG   ARG  15          2HG       ARG  15   8.466  -5.679  -6.859
  123   2HG   ARG  15          1HG       ARG  15   9.571  -4.839  -5.772
  124   1HD   ARG  15          2HD       ARG  15  10.797  -6.478  -7.086
  125   2HD   ARG  15          1HD       ARG  15  10.776  -6.965  -5.390
  126    HE   ARG  15           HE       ARG  15   8.679  -8.118  -7.012
  127   1HH1  ARG  15          1HH1      ARG  15  11.880  -8.509  -5.783
  128   2HH1  ARG  15          2HH1      ARG  15  11.875 -10.220  -6.015
  129   1HH2  ARG  15          1HH2      ARG  15   8.696 -10.312  -7.322
  130   2HH2  ARG  15          2HH2      ARG  15  10.097 -11.228  -6.888
  131    H    VAL  16           H        VAL  16   4.659  -5.325  -4.461
  132    HA   VAL  16           HA       VAL  16   4.492  -6.314  -1.676
  133    HB   VAL  16           HB       VAL  16   2.383  -4.806  -3.241
  134   1HG1  VAL  16          1HG1      VAL  16   1.186  -4.693  -1.095
  135   2HG1  VAL  16          2HG1      VAL  16   2.431  -5.696  -0.349
  136   3HG1  VAL  16          3HG1      VAL  16   1.413  -6.361  -1.624
  137   1HG2  VAL  16          1HG2      VAL  16   4.258  -3.362  -2.668
  138   2HG2  VAL  16          2HG2      VAL  16   4.181  -3.889  -0.985
  139   3HG2  VAL  16          3HG2      VAL  16   2.854  -2.954  -1.679
  140    H    ALA  17           H        ALA  17   4.049  -8.430  -1.555
  141    HA   ALA  17           HA       ALA  17   2.502  -9.745  -3.675
  142   1HB   ALA  17          1HB       ALA  17   4.593 -10.797  -2.952
  143   2HB   ALA  17          2HB       ALA  17   3.206 -11.838  -2.628
  144   3HB   ALA  17          3HB       ALA  17   3.962 -10.938  -1.310
  145    H    CYS  18           H        CYS  18   0.346  -9.824  -3.441
  146    HA   CYS  18           HA       CYS  18  -0.798 -10.071  -0.726
  147   1HB   CYS  18          2HB       CYS  18  -2.058  -8.896  -3.220
  148   2HB   CYS  18          1HB       CYS  18  -2.854  -9.050  -1.658
  149    HG   CYS  18           HG       CYS  18   0.048  -7.311  -1.790
  150    H    ASP  19           H        ASP  19  -1.851 -11.896  -0.249
  151    HA   ASP  19           HA       ASP  19  -2.317 -13.886  -2.306
  152   1HB   ASP  19          2HB       ASP  19  -2.844 -13.996   0.677
  153   2HB   ASP  19          1HB       ASP  19  -2.888 -15.363  -0.434
  154    H    GLY  20           H        GLY  20  -4.498 -13.018   0.404
  155   1HA   GLY  20          2HA       GLY  20  -6.555 -11.814  -0.920
  156   2HA   GLY  20          1HA       GLY  20  -6.782 -13.516  -1.285
  157    H    GLY  21           H        GLY  21  -8.637 -13.826  -0.213
  158   1HA   GLY  21          2HA       GLY  21  -9.316 -14.707   2.044
  159   2HA   GLY  21          1HA       GLY  21  -8.762 -13.163   2.667
  160    H    GLU  22           H        GLU  22 -10.229 -12.977  -0.392
  161    HA   GLU  22           HA       GLU  22 -12.595 -11.672   0.646
  162   1HB   GLU  22          2HB       GLU  22 -11.567 -12.200  -2.151
  163   2HB   GLU  22          1HB       GLU  22 -13.116 -11.424  -1.839
  164   1HG   GLU  22          2HG       GLU  22 -10.429 -10.391  -0.924
  165   2HG   GLU  22          1HG       GLU  22 -11.335  -9.807  -2.319
  166    H    GLY  23           H        GLY  23 -14.594 -12.323  -1.114
  167   1HA   GLY  23          2HA       GLY  23 -15.917 -14.461  -0.070
  168   2HA   GLY  23          1HA       GLY  23 -16.171 -13.897  -1.708
  169    H    ALA  24           H        ALA  24 -14.036 -14.675  -3.109
  170    HA   ALA  24           HA       ALA  24 -14.071 -17.610  -2.904
  171   1HB   ALA  24          1HB       ALA  24 -14.711 -16.591  -5.041
  172   2HB   ALA  24          2HB       ALA  24 -13.263 -17.586  -5.206
  173   3HB   ALA  24          3HB       ALA  24 -13.123 -15.829  -5.148
  174    H    LEU  25           H        LEU  25 -12.353 -15.685  -1.294
  175    HA   LEU  25           HA       LEU  25 -10.344 -15.712  -0.267
  176   1HB   LEU  25          2HB       LEU  25  -9.793 -18.136  -1.977
  177   2HB   LEU  25          1HB       LEU  25  -8.736 -17.555  -0.704
  178    HG   LEU  25           HG       LEU  25 -11.521 -18.687  -0.388
  179   1HD1  LEU  25          1HD1      LEU  25  -9.756 -20.335  -0.710
  180   2HD1  LEU  25          2HD1      LEU  25 -10.383 -20.393   0.934
  181   3HD1  LEU  25          3HD1      LEU  25  -8.832 -19.616   0.610
  182   1HD2  LEU  25          1HD2      LEU  25  -9.725 -17.461   1.712
  183   2HD2  LEU  25          2HD2      LEU  25 -11.218 -18.347   2.029
  184   3HD2  LEU  25          3HD2      LEU  25 -11.270 -16.819   1.152
  185    H    GLY  26           H        GLY  26 -10.519 -15.553  -3.697
  186   1HA   GLY  26          2HA       GLY  26  -9.537 -13.800  -4.916
  187   2HA   GLY  26          1HA       GLY  26  -8.364 -13.586  -3.633
  188    H    HIS  27           H        HIS  27  -6.351 -14.533  -3.843
  189    HA   HIS  27           HA       HIS  27  -5.762 -16.369  -6.005
  190   1HB   HIS  27          2HB       HIS  27  -4.236 -14.486  -7.069
  191   2HB   HIS  27          1HB       HIS  27  -5.946 -14.589  -7.490
  192    HD1  HIS  27           HD1      HIS  27  -3.827 -12.786  -4.879
  193    HD2  HIS  27           HD2      HIS  27  -7.258 -12.249  -7.156
  194    HE1  HIS  27           HE1      HIS  27  -4.676 -10.501  -4.289
  195    HE2  HIS  27           HE2      HIS  27  -6.891 -10.347  -5.448
  196    HA   PRO  28           HA       PRO  28  -2.652 -16.820  -2.690
  197   1HB   PRO  28          2HB       PRO  28  -1.818 -19.049  -4.481
  198   2HB   PRO  28          1HB       PRO  28  -2.141 -19.058  -2.743
  199   1HG   PRO  28          2HG       PRO  28  -3.889 -20.120  -4.456
  200   2HG   PRO  28          1HG       PRO  28  -4.443 -19.209  -3.038
  201   1HD   PRO  28          2HD       PRO  28  -4.312 -18.354  -5.907
  202   2HD   PRO  28          1HD       PRO  28  -5.554 -18.018  -4.682
  203    H    ARG  29           H        ARG  29  -1.524 -14.897  -3.287
  204    HA   ARG  29           HA       ARG  29   0.452 -13.918  -3.519
  205   1HB   ARG  29          2HB       ARG  29   1.710 -15.870  -3.186
  206   2HB   ARG  29          1HB       ARG  29   1.232 -16.554  -4.727
  207   1HG   ARG  29          2HG       ARG  29   2.883 -14.055  -4.624
  208   2HG   ARG  29          1HG       ARG  29   3.624 -15.639  -4.436
  209   1HD   ARG  29          2HD       ARG  29   2.260 -16.210  -6.588
  210   2HD   ARG  29          1HD       ARG  29   2.225 -14.468  -6.793
  211    HE   ARG  29           HE       ARG  29   4.635 -14.494  -6.958
  212   1HH1  ARG  29          1HH1      ARG  29   3.154 -17.602  -6.989
  213   2HH1  ARG  29          2HH1      ARG  29   4.441 -18.329  -7.888
  214   1HH2  ARG  29          1HH2      ARG  29   6.300 -15.453  -8.111
  215   2HH2  ARG  29          2HH2      ARG  29   6.180 -17.129  -8.526
  216    H    VAL  30           H        VAL  30  -0.271 -12.305  -4.631
  217    HA   VAL  30           HA       VAL  30   0.524 -12.298  -7.474
  218    HB   VAL  30           HB       VAL  30  -1.973 -12.097  -7.293
  219   1HG1  VAL  30          1HG1      VAL  30  -2.952 -10.003  -6.483
  220   2HG1  VAL  30          2HG1      VAL  30  -1.364  -9.481  -5.918
  221   3HG1  VAL  30          3HG1      VAL  30  -2.141 -10.889  -5.193
  222   1HG2  VAL  30          1HG2      VAL  30  -0.783 -11.196  -9.227
  223   2HG2  VAL  30          2HG2      VAL  30  -0.552  -9.663  -8.387
  224   3HG2  VAL  30          3HG2      VAL  30  -2.175 -10.193  -8.826
  225    H    TRP  31           H        TRP  31   1.948 -10.679  -8.020
  226    HA   TRP  31           HA       TRP  31   2.851  -8.986  -5.792
  227   1HB   TRP  31          2HB       TRP  31   4.242  -9.936  -8.298
  228   2HB   TRP  31          1HB       TRP  31   4.928  -8.706  -7.241
  229    HD1  TRP  31           HD       TRP  31   3.815 -12.421  -7.075
  230    HE1  TRP  31           HE1      TRP  31   5.251 -13.598  -5.283
  231    HE3  TRP  31           HE3      TRP  31   6.406  -8.379  -5.321
  232    HZ2  TRP  31           HZ2      TRP  31   7.217 -12.901  -3.389
  233    HZ3  TRP  31           HZ3      TRP  31   8.046  -8.717  -3.519
  234    HH2  TRP  31           HH       TRP  31   8.441 -10.935  -2.572
  235    H    LEU  32           H        LEU  32   2.728  -6.842  -5.810
  236    HA   LEU  32           HA       LEU  32   1.958  -5.461  -8.304
  237   1HB   LEU  32          2HB       LEU  32   1.358  -4.688  -5.441
  238   2HB   LEU  32          1HB       LEU  32   0.988  -3.700  -6.840
  239    HG   LEU  32           HG       LEU  32  -0.472  -5.644  -7.645
  240   1HD1  LEU  32          1HD1      LEU  32  -1.335  -7.139  -5.911
  241   2HD1  LEU  32          2HD1      LEU  32  -0.166  -6.490  -4.759
  242   3HD1  LEU  32          3HD1      LEU  32   0.390  -7.384  -6.175
  243   1HD2  LEU  32          1HD2      LEU  32  -2.357  -4.911  -6.294
  244   2HD2  LEU  32          2HD2      LEU  32  -1.353  -3.539  -6.766
  245   3HD2  LEU  32          3HD2      LEU  32  -1.258  -4.181  -5.123
  246    H    GLN  33           H        GLN  33   2.745  -3.230  -8.521
  247    HA   GLN  33           HA       GLN  33   5.346  -2.787  -7.176
  248   1HB   GLN  33          2HB       GLN  33   5.562  -3.352  -9.581
  249   2HB   GLN  33          1HB       GLN  33   4.536  -1.984  -9.988
  250   1HG   GLN  33          2HG       GLN  33   6.797  -1.348 -10.374
  251   2HG   GLN  33          1HG       GLN  33   6.233  -0.484  -8.946
  252   1HE2  GLN  33          1HE2      GLN  33   7.182  -3.870  -8.942
  253   2HE2  GLN  33          2HE2      GLN  33   8.601  -3.649  -7.985
  254    H    ILE  34           H        ILE  34   5.452  -0.964  -5.973
  255    HA   ILE  34           HA       ILE  34   3.236   0.879  -5.923
  256    HB   ILE  34           HB       ILE  34   5.844   0.899  -4.393
  257   1HG1  ILE  34          2HG1      ILE  34   3.056   0.062  -3.549
  258   2HG1  ILE  34          1HG1      ILE  34   4.378  -1.038  -3.904
  259   1HG2  ILE  34          1HG2      ILE  34   4.748   2.517  -2.891
  260   2HG2  ILE  34          2HG2      ILE  34   3.364   2.580  -3.983
  261   3HG2  ILE  34          3HG2      ILE  34   4.942   3.156  -4.523
  262   1HD1  ILE  34          1HD1      ILE  34   5.638  -0.096  -2.019
  263   2HD1  ILE  34          2HD1      ILE  34   4.095  -0.794  -1.524
  264   3HD1  ILE  34          3HD1      ILE  34   4.269   0.956  -1.654
  265    HA   PRO  35           HA       PRO  35   5.236   3.967  -8.559
  266   1HB   PRO  35          2HB       PRO  35   3.235   5.760  -8.596
  267   2HB   PRO  35          1HB       PRO  35   3.123   4.230  -9.473
  268   1HG   PRO  35          2HG       PRO  35   1.902   5.009  -6.860
  269   2HG   PRO  35          1HG       PRO  35   1.210   4.052  -8.180
  270   1HD   PRO  35          2HD       PRO  35   2.327   2.999  -5.865
  271   2HD   PRO  35          1HD       PRO  35   2.118   2.111  -7.384
  272    H    GLU  36           H        GLU  36   6.839   5.178  -7.707
  273    HA   GLU  36           HA       GLU  36   6.935   6.084  -5.058
  274   1HB   GLU  36          2HB       GLU  36   8.934   5.629  -6.351
  275   2HB   GLU  36          1HB       GLU  36   8.551   6.939  -7.460
  276   1HG   GLU  36          2HG       GLU  36   8.812   8.549  -5.603
  277   2HG   GLU  36          1HG       GLU  36   9.283   7.214  -4.550
  278    H    ASP  37           H        ASP  37   5.869   7.756  -7.966
  279    HA   ASP  37           HA       ASP  37   5.962  10.400  -6.993
  280   1HB   ASP  37          2HB       ASP  37   4.324  10.884  -8.820
  281   2HB   ASP  37          1HB       ASP  37   5.752  10.002  -9.350
  282    H    THR  38           H        THR  38   3.534   7.878  -6.621
  283    HA   THR  38           HA       THR  38   1.720   9.680  -5.190
  284    HB   THR  38           HB       THR  38   0.176   7.851  -5.039
  285    HG1  THR  38           HG1      THR  38   0.763   5.725  -5.478
  286   1HG2  THR  38          1HG2      THR  38  -0.073   7.122  -7.366
  287   2HG2  THR  38          2HG2      THR  38   1.568   7.664  -7.717
  288   3HG2  THR  38          3HG2      THR  38   0.326   8.838  -7.279
  289    H    GLY  39           H        GLY  39   3.652   6.766  -4.564
  290   1HA   GLY  39          2HA       GLY  39   4.911   6.415  -2.575
  291   2HA   GLY  39          1HA       GLY  39   3.838   7.519  -1.726
  292    H    TRP  40           H        TRP  40   1.986   5.494  -3.643
  293    HA   TRP  40           HA       TRP  40   1.763   3.290  -1.794
  294   1HB   TRP  40          2HB       TRP  40  -0.564   3.805  -1.088
  295   2HB   TRP  40          1HB       TRP  40   0.599   4.990  -0.500
  296    HD1  TRP  40           HD       TRP  40   0.487   7.467  -1.589
  297    HE1  TRP  40           HE1      TRP  40  -1.407   8.697  -2.821
  298    HE3  TRP  40           HE3      TRP  40  -2.516   3.466  -2.665
  299    HZ2  TRP  40           HZ2      TRP  40  -3.858   8.055  -4.077
  300    HZ3  TRP  40           HZ3      TRP  40  -4.618   3.859  -3.880
  301    HH2  TRP  40           HH       TRP  40  -5.272   6.108  -4.570
  302    H    VAL  41           H        VAL  41   0.348   1.626  -2.510
  303    HA   VAL  41           HA       VAL  41  -0.915   2.025  -5.155
  304    HB   VAL  41           HB       VAL  41   1.253   0.787  -5.387
  305   1HG1  VAL  41          1HG1      VAL  41   1.425  -1.517  -4.593
  306   2HG1  VAL  41          2HG1      VAL  41  -0.140  -1.372  -3.794
  307   3HG1  VAL  41          3HG1      VAL  41   1.225  -0.400  -3.242
  308   1HG2  VAL  41          1HG2      VAL  41   0.370  -1.006  -6.810
  309   2HG2  VAL  41          2HG2      VAL  41  -0.534   0.491  -7.032
  310   3HG2  VAL  41          3HG2      VAL  41  -1.218  -0.818  -6.069
  311    H    GLU  42           H        GLU  42  -2.790   0.748  -5.556
  312    HA   GLU  42           HA       GLU  42  -3.914  -0.572  -3.160
  313   1HB   GLU  42          2HB       GLU  42  -6.131   0.107  -3.858
  314   2HB   GLU  42          1HB       GLU  42  -5.100   1.520  -3.746
  315   1HG   GLU  42          2HG       GLU  42  -5.755   0.125  -6.337
  316   2HG   GLU  42          1HG       GLU  42  -6.673   1.478  -5.693
  317    H    CYS  43           H        CYS  43  -4.573  -2.640  -3.336
  318    HA   CYS  43           HA       CYS  43  -4.048  -4.047  -5.815
  319   1HB   CYS  43          2HB       CYS  43  -3.347  -5.063  -3.716
  320   2HB   CYS  43          1HB       CYS  43  -5.011  -5.073  -3.137
  321    HG   CYS  43           HG       CYS  43  -3.655  -6.988  -5.623
  322    HA   PRO  44           HA       PRO  44  -8.310  -3.396  -7.178
  323   1HB   PRO  44          2HB       PRO  44  -7.442  -5.289  -9.308
  324   2HB   PRO  44          1HB       PRO  44  -8.167  -3.684  -9.454
  325   1HG   PRO  44          2HG       PRO  44  -5.578  -4.060  -9.966
  326   2HG   PRO  44          1HG       PRO  44  -6.141  -2.593  -9.141
  327   1HD   PRO  44          2HD       PRO  44  -4.822  -5.030  -7.990
  328   2HD   PRO  44          1HD       PRO  44  -4.579  -3.319  -7.587
  329    H    TYR  45           H        TYR  45  -6.743  -6.498  -6.677
  330    HA   TYR  45           HA       TYR  45  -9.380  -7.829  -6.583
  331   1HB   TYR  45          2HB       TYR  45  -6.660  -9.066  -7.068
  332   2HB   TYR  45          1HB       TYR  45  -8.196  -9.924  -7.065
  333    HD1  TYR  45           HD2      TYR  45  -9.977  -9.068  -8.778
  334    HD2  TYR  45           HD1      TYR  45  -5.804  -8.268  -9.077
  335    HE1  TYR  45           HE2      TYR  45 -10.241  -8.599 -11.178
  336    HE2  TYR  45           HE1      TYR  45  -6.056  -7.799 -11.470
  337    HH   TYR  45           HH       TYR  45  -9.048  -7.274 -12.936
  338    H    CYS  46           H        CYS  46  -7.615  -6.404  -4.435
  339    HA   CYS  46           HA       CYS  46  -8.383  -8.315  -2.352
  340   1HB   CYS  46          2HB       CYS  46  -5.964  -8.698  -2.842
  341   2HB   CYS  46          1HB       CYS  46  -5.644  -7.030  -2.379
  342    HG   CYS  46           HG       CYS  46  -6.647  -7.471   0.277
  343    H    ASP  47           H        ASP  47  -8.308  -5.160  -3.476
  344    HA   ASP  47           HA       ASP  47  -8.908  -3.139  -2.675
  345   1HB   ASP  47          2HB       ASP  47 -10.380  -4.944  -0.754
  346   2HB   ASP  47          1HB       ASP  47 -10.619  -3.199  -0.807
  347    H    CYS  48           H        CYS  48  -6.414  -4.338  -1.537
  348    HA   CYS  48           HA       CYS  48  -6.282  -2.964   1.063
  349   1HB   CYS  48          2HB       CYS  48  -4.372  -4.962  -0.181
  350   2HB   CYS  48          1HB       CYS  48  -4.174  -4.222   1.403
  351    HG   CYS  48           HG       CYS  48  -7.151  -5.593   1.225
  352    H    LYS  49           H        LYS  49  -4.935  -1.274   1.441
  353    HA   LYS  49           HA       LYS  49  -3.547  -0.094  -0.887
  354   1HB   LYS  49          2HB       LYS  49  -5.394   1.239  -0.030
  355   2HB   LYS  49          1HB       LYS  49  -4.728   1.181   1.592
  356   1HG   LYS  49          2HG       LYS  49  -2.815   2.518   0.873
  357   2HG   LYS  49          1HG       LYS  49  -3.454   2.553  -0.774
  358   1HD   LYS  49          2HD       LYS  49  -5.404   3.778  -0.049
  359   2HD   LYS  49          1HD       LYS  49  -4.936   3.606   1.642
  360   1HE   LYS  49          2HE       LYS  49  -2.949   4.981   1.226
  361   2HE   LYS  49          1HE       LYS  49  -3.427   5.162  -0.463
  362   1HZ   LYS  49          1HZ       LYS  49  -4.055   7.057   0.982
  363   2HZ   LYS  49          2HZ       LYS  49  -5.094   6.030   1.831
  364   3HZ   LYS  49          3HZ       LYS  49  -5.372   6.344   0.191
  365    H    TYR  50           H        TYR  50  -1.359  -0.061  -0.828
  366    HA   TYR  50           HA       TYR  50  -0.030  -0.344   1.800
  367   1HB   TYR  50          2HB       TYR  50   0.869  -1.394  -0.892
  368   2HB   TYR  50          1HB       TYR  50   1.792  -1.521   0.602
  369    HD1  TYR  50           HD2      TYR  50   1.113  -3.066   2.366
  370    HD2  TYR  50           HD1      TYR  50  -1.092  -2.782  -1.267
  371    HE1  TYR  50           HE2      TYR  50  -0.034  -5.173   2.901
  372    HE2  TYR  50           HE1      TYR  50  -2.246  -4.886  -0.735
  373    HH   TYR  50           HH       TYR  50  -1.908  -6.880   0.622
  374    H    VAL  51           H        VAL  51   1.254   1.264   2.411
  375    HA   VAL  51           HA       VAL  51   2.156   3.263   0.453
  376    HB   VAL  51           HB       VAL  51   2.108   3.255   3.475
  377   1HG1  VAL  51          1HG1      VAL  51   4.196   4.324   2.850
  378   2HG1  VAL  51          2HG1      VAL  51   3.047   5.551   3.385
  379   3HG1  VAL  51          3HG1      VAL  51   3.363   5.330   1.663
  380   1HG2  VAL  51          1HG2      VAL  51   0.631   5.187   3.163
  381   2HG2  VAL  51          2HG2      VAL  51   0.001   3.760   2.337
  382   3HG2  VAL  51          3HG2      VAL  51   0.795   5.038   1.412
  383    H    LEU  52           H        LEU  52   4.257   3.654  -0.064
  384    HA   LEU  52           HA       LEU  52   6.259   1.682   0.680
  385   1HB   LEU  52          2HB       LEU  52   6.076   2.320  -1.653
  386   2HB   LEU  52          1HB       LEU  52   6.323   4.009  -1.250
  387    HG   LEU  52           HG       LEU  52   8.633   3.525  -0.566
  388   1HD1  LEU  52          1HD1      LEU  52   8.046   0.692  -1.446
  389   2HD1  LEU  52          2HD1      LEU  52   8.334   1.225   0.209
  390   3HD1  LEU  52          3HD1      LEU  52   9.626   1.326  -0.985
  391   1HD2  LEU  52          1HD2      LEU  52   7.915   2.514  -3.323
  392   2HD2  LEU  52          2HD2      LEU  52   9.535   2.984  -2.804
  393   3HD2  LEU  52          3HD2      LEU  52   8.246   4.185  -2.864
  394    H    LYS  53           H        LYS  53   7.552   1.956   2.380
  395    HA   LYS  53           HA       LYS  53   7.778   4.380   3.829
  396   1HB   LYS  53          2HB       LYS  53   8.021   2.154   4.858
  397   2HB   LYS  53          1HB       LYS  53   9.515   1.906   3.967
  398   1HG   LYS  53          2HG       LYS  53  10.557   3.759   5.149
  399   2HG   LYS  53          1HG       LYS  53   9.049   4.074   6.010
  400   1HD   LYS  53          2HD       LYS  53  10.658   1.520   6.172
  401   2HD   LYS  53          1HD       LYS  53  10.660   2.809   7.378
  402   1HE   LYS  53          2HE       LYS  53   8.321   2.433   7.855
  403   2HE   LYS  53          1HE       LYS  53   8.207   1.255   6.546
  404   1HZ   LYS  53          1HZ       LYS  53   8.414   0.211   8.731
  405   2HZ   LYS  53          2HZ       LYS  53   9.917   0.954   8.954
  406   3HZ   LYS  53          3HZ       LYS  53   9.711  -0.188   7.721
  407    H    GLY  54           H        GLY  54   8.987   6.101   3.415
  408   1HA   GLY  54          2HA       GLY  54  11.250   6.977   2.899
  409   2HA   GLY  54          1HA       GLY  54  11.300   5.815   1.579
  410    H    SER  55           H        SER  55   8.455   6.312   0.909
  411    HA   SER  55           HA       SER  55   8.854   8.584  -0.835
  412   1HB   SER  55          2HB       SER  55   6.452   6.777  -0.444
  413   2HB   SER  55          1HB       SER  55   6.599   7.999  -1.704
  414    HG   SER  55           HG       SER  55   8.174   6.832  -2.675
  415    H    LYS  56           H        LYS  56   6.997  10.209  -1.073
  416    HA   LYS  56           HA       LYS  56   6.904  11.784   1.233
  417   1HB   LYS  56          2HB       LYS  56   5.371  13.230   0.028
  418   2HB   LYS  56          1HB       LYS  56   6.659  12.685  -1.036
  419   1HG   LYS  56          2HG       LYS  56   5.149  11.028  -2.022
  420   2HG   LYS  56          1HG       LYS  56   3.856  11.576  -0.949
  421   1HD   LYS  56          2HD       LYS  56   4.032  13.835  -1.953
  422   2HD   LYS  56          1HD       LYS  56   5.251  13.214  -3.072
  423   1HE   LYS  56          2HE       LYS  56   3.609  11.634  -3.976
  424   2HE   LYS  56          1HE       LYS  56   2.398  12.246  -2.848
  425   1HZ   LYS  56          1HZ       LYS  56   2.102  13.256  -4.992
  426   2HZ   LYS  56          2HZ       LYS  56   3.710  13.781  -5.025
  427   3HZ   LYS  56          3HZ       LYS  56   2.630  14.435  -3.899
  428    H    ALA  57           H        ALA  57   4.708   9.268   0.206
  429    HA   ALA  57           HA       ALA  57   2.496   9.949   1.843
  430   1HB   ALA  57          1HB       ALA  57   2.314   8.363  -0.003
  431   2HB   ALA  57          2HB       ALA  57   1.785   7.624   1.508
  432   3HB   ALA  57          3HB       ALA  57   3.373   7.237   0.844
  433    H    ASP  58           H        ASP  58   5.464   8.190   2.447
  434    HA   ASP  58           HA       ASP  58   4.751   7.255   5.071
  435   1HB   ASP  58          2HB       ASP  58   6.353   6.038   3.698
  436   2HB   ASP  58          1HB       ASP  58   7.404   7.444   3.613
  437    H    ALA  59           H        ALA  59   5.457  10.294   3.914
  438    HA   ALA  59           HA       ALA  59   7.178  11.252   6.015
  439   1HB   ALA  59          1HB       ALA  59   6.910  13.433   4.972
  440   2HB   ALA  59          2HB       ALA  59   5.610  12.805   3.957
  441   3HB   ALA  59          3HB       ALA  59   7.255  12.200   3.761
  442    H    LEU  60           H        LEU  60   4.705  10.079   7.012
  443    HA   LEU  60           HA       LEU  60   2.916  12.057   7.935
  444   1HB   LEU  60          2HB       LEU  60   2.435  10.352   9.781
  445   2HB   LEU  60          1HB       LEU  60   2.143   9.862   8.125
  446    HG   LEU  60           HG       LEU  60   4.403   8.689   8.192
  447   1HD1  LEU  60          1HD1      LEU  60   5.371   9.821  10.115
  448   2HD1  LEU  60          2HD1      LEU  60   5.277   8.084  10.400
  449   3HD1  LEU  60          3HD1      LEU  60   4.109   9.168  11.158
  450   1HD2  LEU  60          1HD2      LEU  60   2.277   7.488   8.335
  451   2HD2  LEU  60          2HD2      LEU  60   2.259   7.716  10.086
  452   3HD2  LEU  60          3HD2      LEU  60   3.512   6.727   9.333
  453    H    GLU  61           H        GLU  61   2.686  12.642  10.333
  454    HA   GLU  61           HA       GLU  61   3.406  14.099  11.908
  455   1HB   GLU  61          2HB       GLU  61   5.056  13.295  13.479
  456   2HB   GLU  61          1HB       GLU  61   4.045  11.957  12.963
  457   1HG   GLU  61          2HG       GLU  61   5.780  11.052  11.613
  458   2HG   GLU  61          1HG       GLU  61   6.761  12.503  11.785
  459    H    HIS  62           H        HIS  62   4.213  16.083  11.702
  460    HA   HIS  62           HA       HIS  62   6.508  16.571  10.002
  461   1HB   HIS  62          2HB       HIS  62   4.439  18.062  10.127
  462   2HB   HIS  62          1HB       HIS  62   5.056  18.630  11.678
  463    HD1  HIS  62           HD1      HIS  62   7.294  20.010  11.619
  464    HD2  HIS  62           HD2      HIS  62   5.710  19.114   7.884
  465    HE1  HIS  62           HE1      HIS  62   8.513  21.485  10.000
  466    HE2  HIS  62           HE2      HIS  62   7.426  21.049   7.782
  467    H    HIS  63           H        HIS  63   7.174  14.991  12.195
  468    HA   HIS  63           HA       HIS  63   8.585  16.710  14.097
  469   1HB   HIS  63          2HB       HIS  63   7.218  14.791  14.913
  470   2HB   HIS  63          1HB       HIS  63   8.280  13.693  14.047
  471    HD1  HIS  63           HD1      HIS  63  10.124  12.748  15.390
  472    HD2  HIS  63           HD2      HIS  63   8.741  16.326  16.982
  473    HE1  HIS  63           HE1      HIS  63  11.357  13.039  17.549
  474    HE2  HIS  63           HE2      HIS  63  10.630  15.284  18.416
  475    H    HIS  64           H        HIS  64   9.237  15.910  11.133
  476    HA   HIS  64           HA       HIS  64  11.072  15.734   9.828
  477   1HB   HIS  64          2HB       HIS  64  12.654  15.973  12.400
  478   2HB   HIS  64          1HB       HIS  64  13.325  16.085  10.775
  479    HD1  HIS  64           HD1      HIS  64  11.466  18.003  13.333
  480    HD2  HIS  64           HD2      HIS  64  12.681  18.504   9.398
  481    HE1  HIS  64           HE1      HIS  64  11.089  20.427  12.827
  482    HE2  HIS  64           HE2      HIS  64  11.968  20.739  10.491
  483    H    HIS  65           H        HIS  65  12.076  14.042   8.854
  484    HA   HIS  65           HA       HIS  65  11.914  11.466  10.268
  485   1HB   HIS  65          2HB       HIS  65  11.821  12.194   7.346
  486   2HB   HIS  65          1HB       HIS  65  12.109  10.539   7.870
  487    HD1  HIS  65           HD1      HIS  65  10.090   9.168   8.408
  488    HD2  HIS  65           HD2      HIS  65   9.239  13.227   8.221
  489    HE1  HIS  65           HE1      HIS  65   7.599   9.340   8.598
  490    HE2  HIS  65           HE2      HIS  65   7.138  11.804   8.665
  491    H    HIS  66           H        HIS  66  13.490   9.782   9.115
  492    HA   HIS  66           HA       HIS  66  16.101  10.517  10.005
  493   1HB   HIS  66          2HB       HIS  66  15.235   8.048   8.476
  494   2HB   HIS  66          1HB       HIS  66  16.738   8.239   9.382
  495    HD1  HIS  66           HD1      HIS  66  13.848   6.452   9.761
  496    HD2  HIS  66           HD2      HIS  66  15.679   9.238  12.243
  497    HE1  HIS  66           HE1      HIS  66  12.963   5.989  12.057
  498    HE2  HIS  66           HE2      HIS  66  13.930   7.804  13.495
  499    H    HIS  67           H        HIS  67  16.938  12.144   8.775
  500    HA   HIS  67           HA       HIS  67  17.003  11.915   5.866
  501   1HB   HIS  67          2HB       HIS  67  18.011  14.250   6.025
  502   2HB   HIS  67          1HB       HIS  67  16.359  14.075   6.600
  503    HD1  HIS  67           HD1      HIS  67  15.955  14.296   9.161
  504    HD2  HIS  67           HD2      HIS  67  19.886  14.977   7.983
  505    HE1  HIS  67           HE1      HIS  67  17.088  15.326  11.146
  506    HE2  HIS  67           HE2      HIS  67  19.500  15.528  10.476
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -22.996   4.677   5.658
    2   2H    MET   1          2H        MET   1 -22.392   6.090   4.952
    3   3H    MET   1          3H        MET   1 -22.731   6.050   6.609
    4    HA   MET   1           HA       MET   1 -20.358   5.924   6.177
    5   1HB   MET   1          2HB       MET   1 -19.903   3.933   7.570
    6   2HB   MET   1          1HB       MET   1 -21.226   4.902   8.205
    7   1HG   MET   1          2HG       MET   1 -22.842   3.330   7.288
    8   2HG   MET   1          1HG       MET   1 -21.535   2.374   6.591
    9   1HE   MET   1          1HE       MET   1 -21.545   4.155  10.117
   10   2HE   MET   1          2HE       MET   1 -22.205   2.874  11.137
   11   3HE   MET   1          3HE       MET   1 -23.216   3.632   9.905
   12    H    THR   2           H        THR   2 -18.578   4.900   5.250
   13    HA   THR   2           HA       THR   2 -19.134   2.751   3.284
   14    HB   THR   2           HB       THR   2 -16.711   4.540   3.081
   15    HG1  THR   2           HG1      THR   2 -19.248   5.106   1.877
   16   1HG2  THR   2          1HG2      THR   2 -18.355   3.077   1.000
   17   2HG2  THR   2          2HG2      THR   2 -16.817   2.529   1.669
   18   3HG2  THR   2          3HG2      THR   2 -16.882   3.998   0.696
   19    H    ILE   3           H        ILE   3 -18.121   2.988   6.255
   20    HA   ILE   3           HA       ILE   3 -16.765   1.842   7.658
   21    HB   ILE   3           HB       ILE   3 -15.854   0.312   5.209
   22   1HG1  ILE   3          2HG1      ILE   3 -18.234  -0.005   5.710
   23   2HG1  ILE   3          1HG1      ILE   3 -17.332  -1.474   6.063
   24   1HG2  ILE   3          1HG2      ILE   3 -14.143   0.196   6.924
   25   2HG2  ILE   3          2HG2      ILE   3 -14.975  -1.355   6.809
   26   3HG2  ILE   3          3HG2      ILE   3 -15.344  -0.252   8.134
   27   1HD1  ILE   3          1HD1      ILE   3 -18.316   0.539   8.077
   28   2HD1  ILE   3          2HD1      ILE   3 -17.367  -0.901   8.451
   29   3HD1  ILE   3          3HD1      ILE   3 -18.986  -1.062   7.772
   30    H    GLN   4           H        GLN   4 -15.165   2.809   4.656
   31    HA   GLN   4           HA       GLN   4 -13.351   4.050   4.184
   32   1HB   GLN   4          2HB       GLN   4 -13.029   6.052   5.416
   33   2HB   GLN   4          1HB       GLN   4 -14.744   5.685   5.489
   34   1HG   GLN   4          2HG       GLN   4 -14.416   4.775   7.769
   35   2HG   GLN   4          1HG       GLN   4 -12.720   5.242   7.679
   36   1HE2  GLN   4          1HE2      GLN   4 -15.984   6.379   7.993
   37   2HE2  GLN   4          2HE2      GLN   4 -15.584   7.993   8.452
   38    H    ALA   5           H        ALA   5 -12.866   1.515   5.663
   39    HA   ALA   5           HA       ALA   5 -10.175   2.138   6.724
   40   1HB   ALA   5          1HB       ALA   5 -11.655   1.213   8.444
   41   2HB   ALA   5          2HB       ALA   5 -10.331   0.106   8.074
   42   3HB   ALA   5          3HB       ALA   5 -11.946  -0.208   7.433
   43    HA   PRO   6           HA       PRO   6  -9.601  -0.340   2.882
   44   1HB   PRO   6          2HB       PRO   6  -7.878   1.247   1.612
   45   2HB   PRO   6          1HB       PRO   6  -9.582   1.699   1.757
   46   1HG   PRO   6          2HG       PRO   6  -7.223   2.676   3.320
   47   2HG   PRO   6          1HG       PRO   6  -8.607   3.588   2.696
   48   1HD   PRO   6          2HD       PRO   6  -8.335   2.652   5.311
   49   2HD   PRO   6          1HD       PRO   6  -9.862   3.149   4.551
   50    H    GLU   7           H        GLU   7  -8.137  -0.680   5.468
   51    HA   GLU   7           HA       GLU   7  -6.294  -1.683   6.329
   52   1HB   GLU   7          2HB       GLU   7  -7.101  -3.555   5.063
   53   2HB   GLU   7          1HB       GLU   7  -6.355  -2.950   3.588
   54   1HG   GLU   7          2HG       GLU   7  -4.162  -3.403   4.416
   55   2HG   GLU   7          1HG       GLU   7  -4.782  -3.750   6.027
   56    H    THR   8           H        THR   8  -4.701  -0.275   6.792
   57    HA   THR   8           HA       THR   8  -2.896   0.734   4.743
   58    HB   THR   8           HB       THR   8  -2.770   1.043   7.760
   59    HG1  THR   8           HG1      THR   8  -3.698   3.056   7.408
   60   1HG2  THR   8          1HG2      THR   8  -1.260   2.520   5.591
   61   2HG2  THR   8          2HG2      THR   8  -0.572   1.359   6.727
   62   3HG2  THR   8          3HG2      THR   8  -1.210   2.893   7.315
   63    H    LYS   9           H        LYS   9  -1.273  -0.553   3.994
   64    HA   LYS   9           HA       LYS   9   0.181  -2.205   5.973
   65   1HB   LYS   9          2HB       LYS   9  -0.677  -2.880   3.175
   66   2HB   LYS   9          1HB       LYS   9   0.779  -3.615   3.833
   67   1HG   LYS   9          2HG       LYS   9  -0.465  -4.602   5.643
   68   2HG   LYS   9          1HG       LYS   9  -1.929  -3.751   5.155
   69   1HD   LYS   9          2HD       LYS   9  -2.098  -5.043   3.141
   70   2HD   LYS   9          1HD       LYS   9  -0.504  -5.753   3.394
   71   1HE   LYS   9          2HE       LYS   9  -1.259  -7.097   5.169
   72   2HE   LYS   9          1HE       LYS   9  -2.712  -6.131   5.401
   73   1HZ   LYS   9          1HZ       LYS   9  -3.198  -8.253   4.349
   74   2HZ   LYS   9          2HZ       LYS   9  -2.173  -7.881   3.059
   75   3HZ   LYS   9          3HZ       LYS   9  -3.574  -6.967   3.319
   76    H    ILE  10           H        ILE  10   1.860  -0.908   6.435
   77    HA   ILE  10           HA       ILE  10   3.300   0.514   4.350
   78    HB   ILE  10           HB       ILE  10   3.883   0.356   7.319
   79   1HG1  ILE  10          2HG1      ILE  10   2.437   2.498   5.724
   80   2HG1  ILE  10          1HG1      ILE  10   1.680   1.374   6.848
   81   1HG2  ILE  10          1HG2      ILE  10   5.859   0.966   6.036
   82   2HG2  ILE  10          2HG2      ILE  10   5.260   2.366   6.922
   83   3HG2  ILE  10          3HG2      ILE  10   4.950   2.222   5.192
   84   1HD1  ILE  10          1HD1      ILE  10   3.709   3.483   7.564
   85   2HD1  ILE  10          2HD1      ILE  10   2.937   2.364   8.688
   86   3HD1  ILE  10          3HD1      ILE  10   1.969   3.571   7.841
   87    H    VAL  11           H        VAL  11   5.084  -0.176   3.375
   88    HA   VAL  11           HA       VAL  11   6.601  -2.441   4.528
   89    HB   VAL  11           HB       VAL  11   7.033  -3.219   2.209
   90   1HG1  VAL  11          1HG1      VAL  11   5.250  -4.259   3.498
   91   2HG1  VAL  11          2HG1      VAL  11   4.793  -4.162   1.797
   92   3HG1  VAL  11          3HG1      VAL  11   4.110  -3.027   2.962
   93   1HG2  VAL  11          1HG2      VAL  11   6.702  -1.068   1.068
   94   2HG2  VAL  11          2HG2      VAL  11   4.976  -1.142   1.428
   95   3HG2  VAL  11          3HG2      VAL  11   5.707  -2.337   0.356
   96    H    ASP  12           H        ASP  12   8.854  -2.604   3.696
   97    HA   ASP  12           HA       ASP  12  10.086   0.034   3.597
   98   1HB   ASP  12          2HB       ASP  12  12.176  -1.110   4.036
   99   2HB   ASP  12          1HB       ASP  12  10.945  -1.726   5.134
  100    H    LYS  13           H        LYS  13   9.252  -2.468   1.409
  101    HA   LYS  13           HA       LYS  13  10.814  -1.173  -0.714
  102   1HB   LYS  13          2HB       LYS  13  11.027  -3.577  -1.695
  103   2HB   LYS  13          1HB       LYS  13  12.129  -3.056  -0.427
  104   1HG   LYS  13          2HG       LYS  13  10.692  -4.194   1.239
  105   2HG   LYS  13          1HG       LYS  13   9.689  -4.794  -0.083
  106   1HD   LYS  13          2HD       LYS  13  11.450  -6.123  -0.948
  107   2HD   LYS  13          1HD       LYS  13  12.657  -5.308   0.051
  108   1HE   LYS  13          2HE       LYS  13  10.413  -7.030   1.118
  109   2HE   LYS  13          1HE       LYS  13  12.069  -7.579   0.868
  110   1HZ   LYS  13          1HZ       LYS  13  12.813  -5.892   2.442
  111   2HZ   LYS  13          2HZ       LYS  13  11.717  -6.958   3.157
  112   3HZ   LYS  13          3HZ       LYS  13  11.214  -5.405   2.707
  113    H    SER  14           H        SER  14   9.947  -1.348  -2.848
  114    HA   SER  14           HA       SER  14   7.184  -0.713  -2.738
  115   1HB   SER  14          2HB       SER  14   7.454  -0.437  -5.263
  116   2HB   SER  14          1HB       SER  14   8.454   0.571  -4.234
  117    HG   SER  14           HG       SER  14   9.767  -0.281  -5.797
  118    H    ARG  15           H        ARG  15   8.816  -3.646  -3.890
  119    HA   ARG  15           HA       ARG  15   6.468  -4.602  -5.247
  120   1HB   ARG  15          2HB       ARG  15   9.081  -5.891  -4.500
  121   2HB   ARG  15          1HB       ARG  15   7.753  -6.845  -5.150
  122   1HG   ARG  15          2HG       ARG  15   7.709  -5.399  -7.143
  123   2HG   ARG  15          1HG       ARG  15   9.086  -4.501  -6.505
  124   1HD   ARG  15          2HD       ARG  15  10.516  -6.390  -6.695
  125   2HD   ARG  15          1HD       ARG  15   9.157  -7.473  -6.993
  126    HE   ARG  15           HE       ARG  15   9.148  -5.565  -9.016
  127   1HH1  ARG  15          1HH1      ARG  15  11.196  -8.102  -7.898
  128   2HH1  ARG  15          2HH1      ARG  15  11.817  -8.436  -9.474
  129   1HH2  ARG  15          1HH2      ARG  15   9.924  -6.026 -11.030
  130   2HH2  ARG  15          2HH2      ARG  15  11.098  -7.282 -11.231
  131    H    VAL  16           H        VAL  16   4.688  -4.913  -4.105
  132    HA   VAL  16           HA       VAL  16   4.842  -6.470  -1.589
  133    HB   VAL  16           HB       VAL  16   2.679  -4.494  -2.355
  134   1HG1  VAL  16          1HG1      VAL  16   3.260  -5.877   0.271
  135   2HG1  VAL  16          2HG1      VAL  16   1.926  -6.245  -0.822
  136   3HG1  VAL  16          3HG1      VAL  16   1.991  -4.682  -0.010
  137   1HG2  VAL  16          1HG2      VAL  16   3.667  -2.984  -0.694
  138   2HG2  VAL  16          2HG2      VAL  16   4.778  -3.309  -2.023
  139   3HG2  VAL  16          3HG2      VAL  16   5.009  -4.110  -0.469
  140    H    ALA  17           H        ALA  17   3.977  -8.465  -1.733
  141    HA   ALA  17           HA       ALA  17   2.197  -9.190  -3.897
  142   1HB   ALA  17          1HB       ALA  17   2.274 -11.435  -2.943
  143   2HB   ALA  17          2HB       ALA  17   3.108 -10.815  -1.519
  144   3HB   ALA  17          3HB       ALA  17   3.898 -10.762  -3.094
  145    H    CYS  18           H        CYS  18   0.095  -8.551  -3.787
  146    HA   CYS  18           HA       CYS  18  -1.264  -7.959  -1.365
  147   1HB   CYS  18          2HB       CYS  18  -3.256  -7.673  -2.694
  148   2HB   CYS  18          1HB       CYS  18  -1.896  -6.991  -3.575
  149    HG   CYS  18           HG       CYS  18  -2.370 -10.144  -4.452
  150    H    ASP  19           H        ASP  19  -1.567  -9.486   0.112
  151    HA   ASP  19           HA       ASP  19  -1.872 -12.236  -0.444
  152   1HB   ASP  19          2HB       ASP  19  -2.524 -12.307   2.053
  153   2HB   ASP  19          1HB       ASP  19  -0.909 -11.755   1.623
  154    H    GLY  20           H        GLY  20  -4.345 -10.623   1.575
  155   1HA   GLY  20          2HA       GLY  20  -6.501 -10.537  -0.084
  156   2HA   GLY  20          1HA       GLY  20  -6.390 -12.241   0.317
  157    H    GLY  21           H        GLY  21  -8.682 -11.095   0.971
  158   1HA   GLY  21          2HA       GLY  21  -8.745 -10.017   3.630
  159   2HA   GLY  21          1HA       GLY  21 -10.119 -10.628   2.722
  160    H    GLU  22           H        GLU  22 -10.201 -13.055   2.521
  161    HA   GLU  22           HA       GLU  22  -8.823 -14.687   4.418
  162   1HB   GLU  22          2HB       GLU  22 -10.336 -13.605   5.982
  163   2HB   GLU  22          1HB       GLU  22 -11.718 -13.988   4.964
  164   1HG   GLU  22          2HG       GLU  22 -11.386 -16.370   5.392
  165   2HG   GLU  22          1HG       GLU  22  -9.979 -15.997   6.389
  166    H    GLY  23           H        GLY  23  -8.746 -16.695   3.619
  167   1HA   GLY  23          2HA       GLY  23  -9.027 -18.406   2.092
  168   2HA   GLY  23          1HA       GLY  23 -10.644 -18.404   2.765
  169    H    ALA  24           H        ALA  24 -12.349 -17.597   1.541
  170    HA   ALA  24           HA       ALA  24 -12.160 -17.899  -1.250
  171   1HB   ALA  24          1HB       ALA  24 -14.336 -16.540   0.345
  172   2HB   ALA  24          2HB       ALA  24 -14.227 -18.268  -0.005
  173   3HB   ALA  24          3HB       ALA  24 -14.476 -17.113  -1.315
  174    H    LEU  25           H        LEU  25 -11.834 -15.069   0.752
  175    HA   LEU  25           HA       LEU  25 -11.876 -13.265  -1.554
  176   1HB   LEU  25          2HB       LEU  25 -11.613 -12.667   1.400
  177   2HB   LEU  25          1HB       LEU  25 -11.782 -11.469   0.126
  178    HG   LEU  25           HG       LEU  25 -13.868 -13.526   0.900
  179   1HD1  LEU  25          1HD1      LEU  25 -13.622 -11.754   2.564
  180   2HD1  LEU  25          2HD1      LEU  25 -15.161 -11.632   1.712
  181   3HD1  LEU  25          3HD1      LEU  25 -13.838 -10.534   1.308
  182   1HD2  LEU  25          1HD2      LEU  25 -13.980 -11.314  -1.157
  183   2HD2  LEU  25          2HD2      LEU  25 -15.335 -12.329  -0.661
  184   3HD2  LEU  25          3HD2      LEU  25 -13.956 -13.049  -1.484
  185    H    GLY  26           H        GLY  26  -9.656 -15.248  -0.899
  186   1HA   GLY  26          2HA       GLY  26  -7.336 -13.591  -0.391
  187   2HA   GLY  26          1HA       GLY  26  -7.336 -15.287  -0.849
  188    H    HIS  27           H        HIS  27  -5.423 -13.898  -2.041
  189    HA   HIS  27           HA       HIS  27  -6.447 -13.460  -4.779
  190   1HB   HIS  27          2HB       HIS  27  -4.127 -11.927  -3.587
  191   2HB   HIS  27          1HB       HIS  27  -4.947 -11.623  -5.116
  192    HD1  HIS  27           HD1      HIS  27  -7.888 -11.740  -3.976
  193    HD2  HIS  27           HD2      HIS  27  -4.754  -9.555  -2.336
  194    HE1  HIS  27           HE1      HIS  27  -8.966  -9.943  -2.610
  195    HE2  HIS  27           HE2      HIS  27  -7.064  -8.780  -1.461
  196    HA   PRO  28           HA       PRO  28  -3.540 -16.620  -5.836
  197   1HB   PRO  28          2HB       PRO  28  -3.525 -16.393  -8.518
  198   2HB   PRO  28          1HB       PRO  28  -4.965 -16.916  -7.636
  199   1HG   PRO  28          2HG       PRO  28  -4.302 -14.194  -8.721
  200   2HG   PRO  28          1HG       PRO  28  -5.822 -15.101  -8.838
  201   1HD   PRO  28          2HD       PRO  28  -5.401 -13.140  -6.989
  202   2HD   PRO  28          1HD       PRO  28  -6.481 -14.521  -6.707
  203    H    ARG  29           H        ARG  29  -2.061 -14.475  -4.836
  204    HA   ARG  29           HA       ARG  29  -0.045 -13.634  -4.728
  205   1HB   ARG  29          2HB       ARG  29   0.537 -16.037  -5.158
  206   2HB   ARG  29          1HB       ARG  29   0.763 -15.603  -6.847
  207   1HG   ARG  29          2HG       ARG  29   2.885 -15.565  -5.725
  208   2HG   ARG  29          1HG       ARG  29   2.438 -13.920  -6.156
  209   1HD   ARG  29          2HD       ARG  29   3.131 -13.656  -3.973
  210   2HD   ARG  29          1HD       ARG  29   1.411 -13.862  -3.764
  211    HE   ARG  29           HE       ARG  29   1.889 -16.200  -3.161
  212   1HH1  ARG  29          1HH1      ARG  29   4.465 -13.923  -2.970
  213   2HH1  ARG  29          2HH1      ARG  29   5.308 -14.818  -1.757
  214   1HH2  ARG  29          1HH2      ARG  29   2.998 -17.335  -1.592
  215   2HH2  ARG  29          2HH2      ARG  29   4.497 -16.704  -0.999
  216    H    VAL  30           H        VAL  30  -0.657 -11.713  -5.480
  217    HA   VAL  30           HA       VAL  30   0.281 -11.003  -8.197
  218    HB   VAL  30           HB       VAL  30  -1.827  -9.543  -6.577
  219   1HG1  VAL  30          1HG1      VAL  30  -0.560  -8.061  -8.051
  220   2HG1  VAL  30          2HG1      VAL  30  -2.210  -8.265  -8.638
  221   3HG1  VAL  30          3HG1      VAL  30  -0.882  -9.126  -9.419
  222   1HG2  VAL  30          1HG2      VAL  30  -2.145 -11.349  -8.981
  223   2HG2  VAL  30          2HG2      VAL  30  -3.427 -10.385  -8.249
  224   3HG2  VAL  30          3HG2      VAL  30  -2.679 -11.694  -7.336
  225    H    TRP  31           H        TRP  31   2.180  -9.968  -8.116
  226    HA   TRP  31           HA       TRP  31   2.980  -8.526  -5.703
  227   1HB   TRP  31          2HB       TRP  31   4.507  -9.284  -8.208
  228   2HB   TRP  31          1HB       TRP  31   5.205  -8.381  -6.868
  229    HD1  TRP  31           HD       TRP  31   3.872 -11.896  -7.720
  230    HE1  TRP  31           HE1      TRP  31   4.835 -13.564  -6.009
  231    HE3  TRP  31           HE3      TRP  31   6.162  -8.583  -4.569
  232    HZ2  TRP  31           HZ2      TRP  31   6.366 -13.480  -3.645
  233    HZ3  TRP  31           HZ3      TRP  31   7.359  -9.461  -2.605
  234    HH2  TRP  31           HH       TRP  31   7.458 -11.862  -2.154
  235    H    LEU  32           H        LEU  32   2.125  -6.520  -5.621
  236    HA   LEU  32           HA       LEU  32   1.872  -4.853  -7.976
  237   1HB   LEU  32          2HB       LEU  32   1.278  -4.328  -5.058
  238   2HB   LEU  32          1HB       LEU  32   1.032  -3.143  -6.326
  239    HG   LEU  32           HG       LEU  32  -0.592  -4.724  -7.407
  240   1HD1  LEU  32          1HD1      LEU  32  -1.507  -6.557  -6.100
  241   2HD1  LEU  32          2HD1      LEU  32  -0.336  -6.255  -4.818
  242   3HD1  LEU  32          3HD1      LEU  32   0.212  -6.808  -6.400
  243   1HD2  LEU  32          1HD2      LEU  32  -2.409  -4.281  -5.801
  244   2HD2  LEU  32          2HD2      LEU  32  -1.382  -2.871  -6.053
  245   3HD2  LEU  32          3HD2      LEU  32  -1.211  -3.833  -4.586
  246    H    GLN  33           H        GLN  33   3.265  -3.350  -8.657
  247    HA   GLN  33           HA       GLN  33   5.669  -2.735  -7.082
  248   1HB   GLN  33          2HB       GLN  33   5.854  -3.392  -9.478
  249   2HB   GLN  33          1HB       GLN  33   4.910  -1.982  -9.926
  250   1HG   GLN  33          2HG       GLN  33   7.188  -1.482 -10.337
  251   2HG   GLN  33          1HG       GLN  33   6.701  -0.556  -8.923
  252   1HE2  GLN  33          1HE2      GLN  33   7.582  -1.057  -6.947
  253   2HE2  GLN  33          2HE2      GLN  33   8.943  -2.101  -6.759
  254    H    ILE  34           H        ILE  34   5.316  -1.177  -5.616
  255    HA   ILE  34           HA       ILE  34   3.359   0.844  -5.808
  256    HB   ILE  34           HB       ILE  34   5.809   0.703  -4.043
  257   1HG1  ILE  34          2HG1      ILE  34   2.898   0.049  -3.495
  258   2HG1  ILE  34          1HG1      ILE  34   4.187  -1.128  -3.710
  259   1HG2  ILE  34          1HG2      ILE  34   4.698   2.387  -2.634
  260   2HG2  ILE  34          2HG2      ILE  34   3.427   2.548  -3.845
  261   3HG2  ILE  34          3HG2      ILE  34   5.084   3.015  -4.234
  262   1HD1  ILE  34          1HD1      ILE  34   4.005   0.888  -1.483
  263   2HD1  ILE  34          2HD1      ILE  34   5.276  -0.319  -1.690
  264   3HD1  ILE  34          3HD1      ILE  34   3.619  -0.827  -1.369
  265    HA   PRO  35           HA       PRO  35   5.581   3.658  -8.512
  266   1HB   PRO  35          2HB       PRO  35   3.719   5.603  -8.600
  267   2HB   PRO  35          1HB       PRO  35   3.489   4.057  -9.426
  268   1HG   PRO  35          2HG       PRO  35   2.428   4.953  -6.765
  269   2HG   PRO  35          1HG       PRO  35   1.568   4.141  -8.084
  270   1HD   PRO  35          2HD       PRO  35   2.516   2.812  -5.913
  271   2HD   PRO  35          1HD       PRO  35   2.418   2.064  -7.517
  272    H    GLU  36           H        GLU  36   7.274   4.816  -7.760
  273    HA   GLU  36           HA       GLU  36   7.381   5.947  -5.169
  274   1HB   GLU  36          2HB       GLU  36   9.344   5.145  -6.494
  275   2HB   GLU  36          1HB       GLU  36   9.183   6.563  -7.522
  276   1HG   GLU  36          2HG       GLU  36   9.674   8.025  -5.664
  277   2HG   GLU  36          1HG       GLU  36   9.686   6.659  -4.548
  278    H    ASP  37           H        ASP  37   6.140   7.186  -8.120
  279    HA   ASP  37           HA       ASP  37   6.352   9.962  -7.646
  280   1HB   ASP  37          2HB       ASP  37   5.730   8.976  -9.832
  281   2HB   ASP  37          1HB       ASP  37   4.193   8.452  -9.146
  282    H    THR  38           H        THR  38   3.834   7.608  -6.758
  283    HA   THR  38           HA       THR  38   2.385   9.651  -5.223
  284    HB   THR  38           HB       THR  38   0.589   8.058  -5.003
  285    HG1  THR  38           HG1      THR  38   0.853   5.912  -5.896
  286   1HG2  THR  38          1HG2      THR  38   0.702   9.220  -7.158
  287   2HG2  THR  38          2HG2      THR  38   0.044   7.595  -7.354
  288   3HG2  THR  38          3HG2      THR  38   1.716   7.930  -7.807
  289    H    GLY  39           H        GLY  39   3.633   6.351  -4.726
  290   1HA   GLY  39          2HA       GLY  39   5.120   5.897  -2.854
  291   2HA   GLY  39          1HA       GLY  39   4.205   7.058  -1.908
  292    H    TRP  40           H        TRP  40   2.011   5.298  -3.680
  293    HA   TRP  40           HA       TRP  40   1.816   3.025  -1.890
  294   1HB   TRP  40          2HB       TRP  40  -0.436   3.597  -1.063
  295   2HB   TRP  40          1HB       TRP  40   0.752   4.790  -0.551
  296    HD1  TRP  40           HD       TRP  40   0.612   7.236  -1.717
  297    HE1  TRP  40           HE1      TRP  40  -1.349   8.463  -2.843
  298    HE3  TRP  40           HE3      TRP  40  -2.515   3.252  -2.487
  299    HZ2  TRP  40           HZ2      TRP  40  -3.885   7.831  -3.912
  300    HZ3  TRP  40           HZ3      TRP  40  -4.691   3.654  -3.562
  301    HH2  TRP  40           HH       TRP  40  -5.360   5.898  -4.260
  302    H    VAL  41           H        VAL  41   0.101   1.524  -2.514
  303    HA   VAL  41           HA       VAL  41  -1.205   2.065  -5.090
  304    HB   VAL  41           HB       VAL  41   0.867   0.824  -5.623
  305   1HG1  VAL  41          1HG1      VAL  41   1.169  -1.491  -4.910
  306   2HG1  VAL  41          2HG1      VAL  41  -0.289  -1.393  -3.922
  307   3HG1  VAL  41          3HG1      VAL  41   1.117  -0.407  -3.517
  308   1HG2  VAL  41          1HG2      VAL  41  -0.171  -0.975  -6.942
  309   2HG2  VAL  41          2HG2      VAL  41  -1.084   0.530  -7.048
  310   3HG2  VAL  41          3HG2      VAL  41  -1.665  -0.782  -6.021
  311    H    GLU  42           H        GLU  42  -3.214   1.084  -5.321
  312    HA   GLU  42           HA       GLU  42  -4.275  -0.090  -2.861
  313   1HB   GLU  42          2HB       GLU  42  -6.518   0.254  -4.208
  314   2HB   GLU  42          1HB       GLU  42  -5.732   1.587  -3.379
  315   1HG   GLU  42          2HG       GLU  42  -6.497   2.292  -5.550
  316   2HG   GLU  42          1HG       GLU  42  -4.740   2.325  -5.490
  317    H    CYS  43           H        CYS  43  -5.656  -1.937  -2.889
  318    HA   CYS  43           HA       CYS  43  -4.669  -4.059  -4.527
  319   1HB   CYS  43          2HB       CYS  43  -5.353  -4.484  -2.227
  320   2HB   CYS  43          1HB       CYS  43  -7.003  -3.990  -2.598
  321    HG   CYS  43           HG       CYS  43  -5.405  -6.873  -3.404
  322    HA   PRO  44           HA       PRO  44  -7.534  -3.394  -7.926
  323   1HB   PRO  44          2HB       PRO  44  -6.530  -5.965  -8.951
  324   2HB   PRO  44          1HB       PRO  44  -6.401  -4.351  -9.656
  325   1HG   PRO  44          2HG       PRO  44  -4.267  -5.635  -8.623
  326   2HG   PRO  44          1HG       PRO  44  -4.443  -3.871  -8.529
  327   1HD   PRO  44          2HD       PRO  44  -4.970  -5.945  -6.420
  328   2HD   PRO  44          1HD       PRO  44  -4.166  -4.364  -6.272
  329    H    TYR  45           H        TYR  45  -7.627  -5.896  -5.647
  330    HA   TYR  45           HA       TYR  45  -9.956  -7.212  -6.853
  331   1HB   TYR  45          2HB       TYR  45  -8.229  -7.950  -4.484
  332   2HB   TYR  45          1HB       TYR  45  -9.675  -8.839  -4.950
  333    HD1  TYR  45           HD2      TYR  45  -6.210  -8.008  -5.926
  334    HD2  TYR  45           HD1      TYR  45  -9.669 -10.319  -6.840
  335    HE1  TYR  45           HE2      TYR  45  -4.879  -9.386  -7.469
  336    HE2  TYR  45           HE1      TYR  45  -8.347 -11.701  -8.380
  337    HH   TYR  45           HH       TYR  45  -6.278 -11.519  -9.706
  338    H    CYS  46           H        CYS  46  -8.983  -5.610  -3.825
  339    HA   CYS  46           HA       CYS  46 -11.846  -5.248  -3.203
  340   1HB   CYS  46          2HB       CYS  46 -10.663  -6.855  -1.688
  341   2HB   CYS  46          1HB       CYS  46  -9.629  -5.533  -1.160
  342    HG   CYS  46           HG       CYS  46 -11.236  -4.536   0.594
  343    H    ASP  47           H        ASP  47  -9.221  -3.795  -1.335
  344    HA   ASP  47           HA       ASP  47  -9.096  -1.311  -2.695
  345   1HB   ASP  47          2HB       ASP  47 -10.405   0.113  -1.211
  346   2HB   ASP  47          1HB       ASP  47 -11.437  -1.135  -1.898
  347    H    CYS  48           H        CYS  48  -7.528  -3.337  -1.020
  348    HA   CYS  48           HA       CYS  48  -6.625  -2.097   1.351
  349   1HB   CYS  48          2HB       CYS  48  -5.148  -4.103  -0.368
  350   2HB   CYS  48          1HB       CYS  48  -4.837  -3.751   1.331
  351    HG   CYS  48           HG       CYS  48  -6.504  -5.434   2.309
  352    H    LYS  49           H        LYS  49  -5.062  -0.588   1.744
  353    HA   LYS  49           HA       LYS  49  -3.672   0.540  -0.596
  354   1HB   LYS  49          2HB       LYS  49  -5.106   2.072   0.735
  355   2HB   LYS  49          1HB       LYS  49  -4.088   1.778   2.139
  356   1HG   LYS  49          2HG       LYS  49  -2.186   2.774   1.010
  357   2HG   LYS  49          1HG       LYS  49  -3.137   2.989  -0.455
  358   1HD   LYS  49          2HD       LYS  49  -3.799   4.288   2.194
  359   2HD   LYS  49          1HD       LYS  49  -2.858   5.065   0.922
  360   1HE   LYS  49          2HE       LYS  49  -5.069   5.865   0.674
  361   2HE   LYS  49          1HE       LYS  49  -4.840   4.681  -0.609
  362   1HZ   LYS  49          1HZ       LYS  49  -6.995   4.478   0.513
  363   2HZ   LYS  49          2HZ       LYS  49  -6.213   4.141   1.971
  364   3HZ   LYS  49          3HZ       LYS  49  -6.070   3.073   0.667
  365    H    TYR  50           H        TYR  50  -1.683  -0.212  -0.885
  366    HA   TYR  50           HA       TYR  50  -0.060  -1.049   1.403
  367   1HB   TYR  50          2HB       TYR  50   0.530  -1.356  -1.556
  368   2HB   TYR  50          1HB       TYR  50   1.359  -2.159  -0.222
  369    HD1  TYR  50           HD1      TYR  50   0.061  -3.826   1.186
  370    HD2  TYR  50           HD2      TYR  50  -1.431  -2.304  -2.501
  371    HE1  TYR  50           HE1      TYR  50  -1.542  -5.687   1.070
  372    HE2  TYR  50           HE2      TYR  50  -3.038  -4.159  -2.623
  373    HH   TYR  50           HH       TYR  50  -3.708  -6.186   0.022
  374    H    VAL  51           H        VAL  51   0.989   0.600   2.332
  375    HA   VAL  51           HA       VAL  51   1.913   2.877   0.725
  376    HB   VAL  51           HB       VAL  51   1.925   2.510   3.735
  377   1HG1  VAL  51          1HG1      VAL  51   3.588   4.140   2.987
  378   2HG1  VAL  51          2HG1      VAL  51   2.259   4.936   3.829
  379   3HG1  VAL  51          3HG1      VAL  51   2.348   4.997   2.069
  380   1HG2  VAL  51          1HG2      VAL  51  -0.047   3.978   3.733
  381   2HG2  VAL  51          2HG2      VAL  51  -0.351   2.492   2.831
  382   3HG2  VAL  51          3HG2      VAL  51  -0.029   3.998   1.967
  383    H    LEU  52           H        LEU  52   4.009   3.422   0.378
  384    HA   LEU  52           HA       LEU  52   6.097   1.542   1.239
  385   1HB   LEU  52          2HB       LEU  52   5.915   1.961  -1.150
  386   2HB   LEU  52          1HB       LEU  52   6.062   3.687  -0.888
  387    HG   LEU  52           HG       LEU  52   8.385   3.379  -0.124
  388   1HD1  LEU  52          1HD1      LEU  52   7.940   0.476  -0.814
  389   2HD1  LEU  52          2HD1      LEU  52   8.196   1.140   0.800
  390   3HD1  LEU  52          3HD1      LEU  52   9.488   1.212  -0.396
  391   1HD2  LEU  52          1HD2      LEU  52   9.355   2.815  -2.294
  392   2HD2  LEU  52          2HD2      LEU  52   7.933   3.838  -2.487
  393   3HD2  LEU  52          3HD2      LEU  52   7.824   2.107  -2.809
  394    H    LYS  53           H        LYS  53   7.616   2.088   2.711
  395    HA   LYS  53           HA       LYS  53   7.523   4.506   4.167
  396   1HB   LYS  53          2HB       LYS  53   8.397   2.393   5.109
  397   2HB   LYS  53          1HB       LYS  53   9.771   2.476   4.010
  398   1HG   LYS  53          2HG       LYS  53  10.324   4.709   5.093
  399   2HG   LYS  53          1HG       LYS  53   9.129   4.294   6.322
  400   1HD   LYS  53          2HD       LYS  53  11.599   2.689   5.628
  401   2HD   LYS  53          1HD       LYS  53  11.401   3.727   7.040
  402   1HE   LYS  53          2HE       LYS  53   9.519   2.291   7.779
  403   2HE   LYS  53          1HE       LYS  53   9.842   1.219   6.412
  404   1HZ   LYS  53          1HZ       LYS  53  10.871   0.414   8.444
  405   2HZ   LYS  53          2HZ       LYS  53  11.752   1.849   8.599
  406   3HZ   LYS  53          3HZ       LYS  53  12.050   0.811   7.297
  407    H    GLY  54           H        GLY  54   8.805   6.356   4.126
  408   1HA   GLY  54          2HA       GLY  54  10.531   7.776   3.502
  409   2HA   GLY  54          1HA       GLY  54  11.163   6.517   2.457
  410    H    SER  55           H        SER  55   8.182   6.519   1.391
  411    HA   SER  55           HA       SER  55   8.801   8.265  -0.849
  412   1HB   SER  55          2HB       SER  55   6.920   7.259  -1.951
  413   2HB   SER  55          1HB       SER  55   7.771   5.965  -1.105
  414    HG   SER  55           HG       SER  55   6.083   5.671   0.128
  415    H    LYS  56           H        LYS  56   6.653   9.422  -1.767
  416    HA   LYS  56           HA       LYS  56   6.142  11.580  -0.030
  417   1HB   LYS  56          2HB       LYS  56   4.741  10.752  -2.576
  418   2HB   LYS  56          1HB       LYS  56   4.435  12.268  -1.733
  419   1HG   LYS  56          2HG       LYS  56   6.896  12.756  -1.967
  420   2HG   LYS  56          1HG       LYS  56   6.986  11.370  -3.051
  421   1HD   LYS  56          2HD       LYS  56   5.446  12.402  -4.592
  422   2HD   LYS  56          1HD       LYS  56   5.138  13.725  -3.466
  423   1HE   LYS  56          2HE       LYS  56   7.766  13.111  -4.823
  424   2HE   LYS  56          1HE       LYS  56   6.671  14.431  -5.228
  425   1HZ   LYS  56          1HZ       LYS  56   8.084  14.091  -2.637
  426   2HZ   LYS  56          2HZ       LYS  56   7.031  15.355  -3.022
  427   3HZ   LYS  56          3HZ       LYS  56   8.498  15.192  -3.852
  428    H    ALA  57           H        ALA  57   4.408   8.585  -0.521
  429    HA   ALA  57           HA       ALA  57   1.993   9.355   0.798
  430   1HB   ALA  57          1HB       ALA  57   2.094   7.393  -0.653
  431   2HB   ALA  57          2HB       ALA  57   1.546   6.953   0.965
  432   3HB   ALA  57          3HB       ALA  57   3.203   6.610   0.470
  433    H    ASP  58           H        ASP  58   5.115   8.288   1.870
  434    HA   ASP  58           HA       ASP  58   4.280   8.025   4.652
  435   1HB   ASP  58          2HB       ASP  58   5.892   6.422   3.773
  436   2HB   ASP  58          1HB       ASP  58   6.970   7.720   3.284
  437    H    ALA  59           H        ALA  59   5.634  10.383   2.521
  438    HA   ALA  59           HA       ALA  59   6.746  12.049   4.619
  439   1HB   ALA  59          1HB       ALA  59   7.361  13.571   2.802
  440   2HB   ALA  59          2HB       ALA  59   6.451  12.582   1.661
  441   3HB   ALA  59          3HB       ALA  59   7.873  11.918   2.459
  442    H    LEU  60           H        LEU  60   3.703  11.797   2.941
  443    HA   LEU  60           HA       LEU  60   2.867  14.498   3.423
  444   1HB   LEU  60          2HB       LEU  60   0.613  13.712   2.750
  445   2HB   LEU  60          1HB       LEU  60   1.867  13.374   1.579
  446    HG   LEU  60           HG       LEU  60   1.914  10.995   2.505
  447   1HD1  LEU  60          1HD1      LEU  60   0.761  11.353   4.611
  448   2HD1  LEU  60          2HD1      LEU  60  -0.128  10.206   3.613
  449   3HD1  LEU  60          3HD1      LEU  60  -0.691  11.871   3.753
  450   1HD2  LEU  60          1HD2      LEU  60  -0.001  10.309   1.161
  451   2HD2  LEU  60          2HD2      LEU  60   0.914  11.582   0.360
  452   3HD2  LEU  60          3HD2      LEU  60  -0.612  11.964   1.163
  453    H    GLU  61           H        GLU  61   0.713  14.867   4.625
  454    HA   GLU  61           HA       GLU  61  -0.414  15.052   6.583
  455   1HB   GLU  61          2HB       GLU  61  -0.775  12.594   6.327
  456   2HB   GLU  61          1HB       GLU  61   0.676  12.314   7.280
  457   1HG   GLU  61          2HG       GLU  61  -1.342  12.063   8.624
  458   2HG   GLU  61          1HG       GLU  61  -0.340  13.390   9.206
  459    H    HIS  62           H        HIS  62   2.619  13.352   7.456
  460    HA   HIS  62           HA       HIS  62   3.195  15.002   9.694
  461   1HB   HIS  62          2HB       HIS  62   4.213  12.825   9.608
  462   2HB   HIS  62          1HB       HIS  62   4.880  13.128   8.009
  463    HD1  HIS  62           HD1      HIS  62   5.619  13.518  11.621
  464    HD2  HIS  62           HD2      HIS  62   7.188  14.824   7.993
  465    HE1  HIS  62           HE1      HIS  62   7.920  14.387  12.146
  466    HE2  HIS  62           HE2      HIS  62   8.852  15.165   9.939
  467    H    HIS  63           H        HIS  63   3.276  17.170   9.272
  468    HA   HIS  63           HA       HIS  63   4.020  18.314   6.871
  469   1HB   HIS  63          2HB       HIS  63   4.375  20.443   8.203
  470   2HB   HIS  63          1HB       HIS  63   2.813  19.667   8.416
  471    HD1  HIS  63           HD1      HIS  63   2.181  18.951  10.767
  472    HD2  HIS  63           HD2      HIS  63   6.127  20.224  10.465
  473    HE1  HIS  63           HE1      HIS  63   3.012  19.134  13.128
  474    HE2  HIS  63           HE2      HIS  63   5.430  19.790  12.918
  475    H    HIS  64           H        HIS  64   5.896  18.387   5.821
  476    HA   HIS  64           HA       HIS  64   8.211  17.190   6.871
  477   1HB   HIS  64          2HB       HIS  64   7.590  17.202   4.462
  478   2HB   HIS  64          1HB       HIS  64   8.008  18.911   4.387
  479    HD1  HIS  64           HD1      HIS  64   9.513  15.509   4.415
  480    HD2  HIS  64           HD2      HIS  64  10.788  19.459   4.534
  481    HE1  HIS  64           HE1      HIS  64  11.973  15.434   3.957
  482    HE2  HIS  64           HE2      HIS  64  12.746  17.789   4.362
  483    H    HIS  65           H        HIS  65   7.178  20.485   7.056
  484    HA   HIS  65           HA       HIS  65   9.576  21.841   7.309
  485   1HB   HIS  65          2HB       HIS  65   6.955  22.234   8.751
  486   2HB   HIS  65          1HB       HIS  65   8.323  23.325   8.967
  487    HD1  HIS  65           HD1      HIS  65   9.285  23.471   6.031
  488    HD2  HIS  65           HD2      HIS  65   5.319  23.848   7.221
  489    HE1  HIS  65           HE1      HIS  65   8.153  24.759   4.200
  490    HE2  HIS  65           HE2      HIS  65   5.744  24.909   4.898
  491    H    HIS  66           H        HIS  66  11.154  22.002   8.779
  492    HA   HIS  66           HA       HIS  66  12.565  21.382  10.442
  493   1HB   HIS  66          2HB       HIS  66  10.884  21.519  12.163
  494   2HB   HIS  66          1HB       HIS  66  10.159  19.999  11.652
  495    HD1  HIS  66           HD1      HIS  66  13.381  21.286  13.201
  496    HD2  HIS  66           HD2      HIS  66  11.140  17.792  12.918
  497    HE1  HIS  66           HE1      HIS  66  14.499  19.640  14.733
  498    HE2  HIS  66           HE2      HIS  66  13.143  17.533  14.535
  499    H    HIS  67           H        HIS  67  13.825  20.303   9.044
  500    HA   HIS  67           HA       HIS  67  15.011  18.599   8.165
  501   1HB   HIS  67          2HB       HIS  67  14.827  17.603  10.438
  502   2HB   HIS  67          1HB       HIS  67  13.377  16.749   9.914
  503    HD1  HIS  67           HD1      HIS  67  17.016  17.031   8.848
  504    HD2  HIS  67           HD2      HIS  67  13.914  14.269   8.913
  505    HE1  HIS  67           HE1      HIS  67  18.008  14.890   7.998
  506    HE2  HIS  67           HE2      HIS  67  16.074  13.291   7.873
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -15.680   3.861  -1.698
    2   2H    MET   1          2H        MET   1 -16.445   4.982  -2.709
    3   3H    MET   1          3H        MET   1 -17.304   4.276  -1.436
    4    HA   MET   1           HA       MET   1 -14.956   6.055  -1.136
    5   1HB   MET   1          2HB       MET   1 -16.515   7.762  -0.367
    6   2HB   MET   1          1HB       MET   1 -16.931   7.251  -1.995
    7   1HG   MET   1          2HG       MET   1 -18.668   5.747  -0.967
    8   2HG   MET   1          1HG       MET   1 -18.340   6.547   0.567
    9   1HE   MET   1          1HE       MET   1 -19.288  10.288  -0.371
   10   2HE   MET   1          2HE       MET   1 -17.707   9.530  -0.558
   11   3HE   MET   1          3HE       MET   1 -18.659   9.240   0.898
   12    H    THR   2           H        THR   2 -16.546   3.451   0.181
   13    HA   THR   2           HA       THR   2 -15.581   4.158   2.881
   14    HB   THR   2           HB       THR   2 -17.322   2.697   3.874
   15    HG1  THR   2           HG1      THR   2 -19.168   2.350   2.250
   16   1HG2  THR   2          1HG2      THR   2 -18.434   4.934   2.151
   17   2HG2  THR   2          2HG2      THR   2 -17.741   5.111   3.763
   18   3HG2  THR   2          3HG2      THR   2 -19.241   4.210   3.546
   19    H    ILE   3           H        ILE   3 -16.572   1.382   0.951
   20    HA   ILE   3           HA       ILE   3 -15.649  -0.620   0.576
   21    HB   ILE   3           HB       ILE   3 -13.168   0.450   1.931
   22   1HG1  ILE   3          2HG1      ILE   3 -13.857   0.178  -1.017
   23   2HG1  ILE   3          1HG1      ILE   3 -13.791   1.687  -0.115
   24   1HG2  ILE   3          1HG2      ILE   3 -13.517  -2.040   0.247
   25   2HG2  ILE   3          2HG2      ILE   3 -13.191  -1.990   1.980
   26   3HG2  ILE   3          3HG2      ILE   3 -11.981  -1.407   0.838
   27   1HD1  ILE   3          1HD1      ILE   3 -11.805   1.413  -1.453
   28   2HD1  ILE   3          2HD1      ILE   3 -11.475  -0.144  -0.694
   29   3HD1  ILE   3          3HD1      ILE   3 -11.391   1.339   0.259
   30    H    GLN   4           H        GLN   4 -15.804   0.668   3.741
   31    HA   GLN   4           HA       GLN   4 -16.184  -0.158   5.793
   32   1HB   GLN   4          2HB       GLN   4 -16.977  -2.601   4.200
   33   2HB   GLN   4          1HB       GLN   4 -17.126  -2.524   5.952
   34   1HG   GLN   4          2HG       GLN   4 -18.473  -0.657   4.003
   35   2HG   GLN   4          1HG       GLN   4 -19.239  -2.031   4.801
   36   1HE2  GLN   4          1HE2      GLN   4 -19.879   0.832   4.928
   37   2HE2  GLN   4          2HE2      GLN   4 -19.815   1.253   6.601
   38    H    ALA   5           H        ALA   5 -13.616  -0.889   4.082
   39    HA   ALA   5           HA       ALA   5 -12.153  -1.962   6.315
   40   1HB   ALA   5          1HB       ALA   5 -13.033  -4.035   5.356
   41   2HB   ALA   5          2HB       ALA   5 -11.283  -3.942   5.147
   42   3HB   ALA   5          3HB       ALA   5 -12.354  -3.610   3.785
   43    HA   PRO   6           HA       PRO   6  -9.904   0.680   3.093
   44   1HB   PRO   6          2HB       PRO   6  -9.820   3.055   4.324
   45   2HB   PRO   6          1HB       PRO   6 -11.286   2.512   3.493
   46   1HG   PRO   6          2HG       PRO   6 -10.646   2.465   6.425
   47   2HG   PRO   6          1HG       PRO   6 -12.148   2.955   5.615
   48   1HD   PRO   6          2HD       PRO   6 -11.736   0.475   6.750
   49   2HD   PRO   6          1HD       PRO   6 -12.896   0.794   5.443
   50    H    GLU   7           H        GLU   7  -8.783  -1.144   5.026
   51    HA   GLU   7           HA       GLU   7  -7.003   0.124   6.830
   52   1HB   GLU   7          2HB       GLU   7  -7.782  -2.147   7.201
   53   2HB   GLU   7          1HB       GLU   7  -6.993  -2.697   5.724
   54   1HG   GLU   7          2HG       GLU   7  -4.827  -2.345   6.654
   55   2HG   GLU   7          1HG       GLU   7  -5.493  -1.504   8.053
   56    H    THR   8           H        THR   8  -4.953   0.766   6.670
   57    HA   THR   8           HA       THR   8  -3.614   0.620   4.048
   58    HB   THR   8           HB       THR   8  -3.145   2.502   6.384
   59    HG1  THR   8           HG1      THR   8  -4.331   3.905   5.271
   60   1HG2  THR   8          1HG2      THR   8  -1.825   2.431   3.664
   61   2HG2  THR   8          2HG2      THR   8  -1.045   2.093   5.207
   62   3HG2  THR   8          3HG2      THR   8  -1.635   3.716   4.855
   63    H    LYS   9           H        LYS   9  -1.419  -0.023   3.887
   64    HA   LYS   9           HA       LYS   9  -0.198  -1.179   6.305
   65   1HB   LYS   9          2HB       LYS   9  -0.549  -2.592   3.649
   66   2HB   LYS   9          1HB       LYS   9   0.549  -3.146   4.907
   67   1HG   LYS   9          2HG       LYS   9  -1.316  -3.436   6.440
   68   2HG   LYS   9          1HG       LYS   9  -2.433  -2.826   5.219
   69   1HD   LYS   9          2HD       LYS   9  -1.911  -4.717   3.771
   70   2HD   LYS   9          1HD       LYS   9  -0.722  -5.306   4.935
   71   1HE   LYS   9          2HE       LYS   9  -2.723  -6.592   5.202
   72   2HE   LYS   9          1HE       LYS   9  -2.564  -5.535   6.602
   73   1HZ   LYS   9          1HZ       LYS   9  -4.408  -5.239   4.297
   74   2HZ   LYS   9          2HZ       LYS   9  -4.115  -3.987   5.392
   75   3HZ   LYS   9          3HZ       LYS   9  -4.804  -5.429   5.934
   76    H    ILE  10           H        ILE  10   1.657  -0.142   6.572
   77    HA   ILE  10           HA       ILE  10   3.044   1.047   4.305
   78    HB   ILE  10           HB       ILE  10   3.794   1.140   7.239
   79   1HG1  ILE  10          2HG1      ILE  10   2.273   3.154   5.550
   80   2HG1  ILE  10          1HG1      ILE  10   1.571   2.147   6.811
   81   1HG2  ILE  10          1HG2      ILE  10   4.723   2.812   4.894
   82   2HG2  ILE  10          2HG2      ILE  10   5.673   1.595   5.750
   83   3HG2  ILE  10          3HG2      ILE  10   5.172   3.067   6.582
   84   1HD1  ILE  10          1HD1      ILE  10   3.659   4.283   7.217
   85   2HD1  ILE  10          2HD1      ILE  10   2.947   3.279   8.481
   86   3HD1  ILE  10          3HD1      ILE  10   1.940   4.418   7.585
   87    H    VAL  11           H        VAL  11   4.303  -0.251   3.147
   88    HA   VAL  11           HA       VAL  11   5.696  -2.492   4.427
   89    HB   VAL  11           HB       VAL  11   6.109  -3.290   2.107
   90   1HG1  VAL  11          1HG1      VAL  11   4.156  -4.060   3.358
   91   2HG1  VAL  11          2HG1      VAL  11   3.782  -3.926   1.640
   92   3HG1  VAL  11          3HG1      VAL  11   3.219  -2.690   2.766
   93   1HG2  VAL  11          1HG2      VAL  11   6.132  -1.147   0.947
   94   2HG2  VAL  11          2HG2      VAL  11   4.429  -0.896   1.330
   95   3HG2  VAL  11          3HG2      VAL  11   4.904  -2.204   0.246
   96    H    ASP  12           H        ASP  12   7.909  -2.979   3.896
   97    HA   ASP  12           HA       ASP  12   9.541  -0.548   3.856
   98   1HB   ASP  12          2HB       ASP  12  10.282  -3.402   4.561
   99   2HB   ASP  12          1HB       ASP  12  11.316  -1.990   4.768
  100    H    LYS  13           H        LYS  13   8.421  -2.559   1.573
  101    HA   LYS  13           HA       LYS  13  10.771  -2.156  -0.153
  102   1HB   LYS  13          2HB       LYS  13  10.430  -4.368  -1.174
  103   2HB   LYS  13          1HB       LYS  13  10.788  -4.501   0.542
  104   1HG   LYS  13          2HG       LYS  13   8.358  -4.778   0.983
  105   2HG   LYS  13          1HG       LYS  13   8.078  -4.771  -0.759
  106   1HD   LYS  13          2HD       LYS  13   9.547  -6.752  -0.977
  107   2HD   LYS  13          1HD       LYS  13   9.761  -6.765   0.775
  108   1HE   LYS  13          2HE       LYS  13   7.312  -7.080   1.032
  109   2HE   LYS  13          1HE       LYS  13   7.166  -7.159  -0.722
  110   1HZ   LYS  13          1HZ       LYS  13   8.621  -9.104  -0.708
  111   2HZ   LYS  13          2HZ       LYS  13   7.232  -9.362   0.222
  112   3HZ   LYS  13          3HZ       LYS  13   8.709  -9.036   0.982
  113    H    SER  14           H        SER  14  10.253  -2.085  -2.464
  114    HA   SER  14           HA       SER  14   7.872  -0.531  -2.890
  115   1HB   SER  14          2HB       SER  14   9.980  -1.457  -4.855
  116   2HB   SER  14          1HB       SER  14   8.712  -0.286  -5.209
  117    HG   SER  14           HG       SER  14   9.904   1.185  -4.334
  118    H    ARG  15           H        ARG  15   8.829  -3.830  -3.657
  119    HA   ARG  15           HA       ARG  15   6.264  -4.184  -5.083
  120   1HB   ARG  15          2HB       ARG  15   7.302  -6.086  -6.245
  121   2HB   ARG  15          1HB       ARG  15   8.178  -4.589  -6.524
  122   1HG   ARG  15          2HG       ARG  15   9.761  -5.323  -4.685
  123   2HG   ARG  15          1HG       ARG  15   8.977  -6.900  -4.772
  124   1HD   ARG  15          2HD       ARG  15  10.928  -6.991  -6.150
  125   2HD   ARG  15          1HD       ARG  15   9.528  -6.942  -7.222
  126    HE   ARG  15           HE       ARG  15  11.037  -4.494  -6.589
  127   1HH1  ARG  15          1HH1      ARG  15   9.734  -6.686  -8.912
  128   2HH1  ARG  15          2HH1      ARG  15  10.211  -5.710 -10.256
  129   1HH2  ARG  15          1HH2      ARG  15  11.638  -3.256  -8.297
  130   2HH2  ARG  15          2HH2      ARG  15  11.245  -3.746  -9.907
  131    H    VAL  16           H        VAL  16   4.757  -5.327  -4.077
  132    HA   VAL  16           HA       VAL  16   5.562  -7.332  -2.050
  133    HB   VAL  16           HB       VAL  16   3.187  -5.462  -1.826
  134   1HG1  VAL  16          1HG1      VAL  16   4.310  -7.466   0.143
  135   2HG1  VAL  16          2HG1      VAL  16   2.799  -7.624  -0.755
  136   3HG1  VAL  16          3HG1      VAL  16   2.978  -6.352   0.457
  137   1HG2  VAL  16          1HG2      VAL  16   4.428  -4.390   0.010
  138   2HG2  VAL  16          2HG2      VAL  16   5.267  -4.230  -1.531
  139   3HG2  VAL  16          3HG2      VAL  16   5.823  -5.411  -0.345
  140    H    ALA  17           H        ALA  17   4.630  -9.306  -2.252
  141    HA   ALA  17           HA       ALA  17   2.658  -9.757  -4.330
  142   1HB   ALA  17          1HB       ALA  17   4.496 -11.347  -4.015
  143   2HB   ALA  17          2HB       ALA  17   2.925 -12.122  -3.813
  144   3HB   ALA  17          3HB       ALA  17   3.900 -11.719  -2.397
  145    H    CYS  18           H        CYS  18   0.783  -8.726  -3.595
  146    HA   CYS  18           HA       CYS  18  -0.161  -9.002  -0.909
  147   1HB   CYS  18          2HB       CYS  18  -0.629  -6.997  -2.251
  148   2HB   CYS  18          1HB       CYS  18  -1.620  -7.956  -3.343
  149    HG   CYS  18           HG       CYS  18  -2.350  -7.665  -0.017
  150    H    ASP  19           H        ASP  19  -0.750 -10.974  -0.231
  151    HA   ASP  19           HA       ASP  19  -1.905 -12.913   0.025
  152   1HB   ASP  19          2HB       ASP  19  -3.729 -11.257   0.239
  153   2HB   ASP  19          1HB       ASP  19  -4.038 -11.384  -1.486
  154    H    GLY  20           H        GLY  20  -0.313 -12.510  -2.495
  155   1HA   GLY  20          2HA       GLY  20  -1.596 -14.665  -4.077
  156   2HA   GLY  20          1HA       GLY  20  -0.729 -13.332  -4.822
  157    H    GLY  21           H        GLY  21  -0.490 -16.513  -3.836
  158   1HA   GLY  21          2HA       GLY  21   1.262 -17.987  -3.616
  159   2HA   GLY  21          1HA       GLY  21   2.280 -16.768  -4.362
  160    H    GLU  22           H        GLU  22   0.543 -16.097  -1.418
  161    HA   GLU  22           HA       GLU  22   3.074 -16.120   0.107
  162   1HB   GLU  22          2HB       GLU  22   0.599 -14.392   0.389
  163   2HB   GLU  22          1HB       GLU  22   1.909 -14.399   1.558
  164   1HG   GLU  22          2HG       GLU  22   2.297 -13.733  -1.350
  165   2HG   GLU  22          1HG       GLU  22   1.954 -12.530  -0.109
  166    H    GLY  23           H        GLY  23   1.522 -15.681   2.639
  167   1HA   GLY  23          2HA       GLY  23   1.476 -18.138   3.769
  168   2HA   GLY  23          1HA       GLY  23   0.410 -16.847   4.286
  169    H    ALA  24           H        ALA  24  -1.405 -16.692   2.198
  170    HA   ALA  24           HA       ALA  24  -2.794 -19.260   2.447
  171   1HB   ALA  24          1HB       ALA  24  -3.987 -17.224   3.148
  172   2HB   ALA  24          2HB       ALA  24  -4.813 -18.059   1.835
  173   3HB   ALA  24          3HB       ALA  24  -3.871 -16.606   1.500
  174    H    LEU  25           H        LEU  25  -0.841 -17.779   0.272
  175    HA   LEU  25           HA       LEU  25  -0.412 -17.918  -1.928
  176   1HB   LEU  25          2HB       LEU  25  -0.257 -20.252  -2.771
  177   2HB   LEU  25          1HB       LEU  25   0.518 -19.963  -1.234
  178    HG   LEU  25           HG       LEU  25  -1.617 -20.962  -0.176
  179   1HD1  LEU  25          1HD1      LEU  25  -3.059 -20.925  -2.129
  180   2HD1  LEU  25          2HD1      LEU  25  -2.811 -22.586  -1.590
  181   3HD1  LEU  25          3HD1      LEU  25  -1.946 -21.980  -3.002
  182   1HD2  LEU  25          1HD2      LEU  25   0.224 -22.736  -1.786
  183   2HD2  LEU  25          2HD2      LEU  25  -0.755 -23.230  -0.403
  184   3HD2  LEU  25          3HD2      LEU  25   0.562 -22.078  -0.183
  185    H    GLY  26           H        GLY  26  -3.159 -17.139  -1.445
  186   1HA   GLY  26          2HA       GLY  26  -5.059 -18.459  -2.980
  187   2HA   GLY  26          1HA       GLY  26  -5.106 -16.753  -2.595
  188    H    HIS  27           H        HIS  27  -3.554 -15.404  -4.033
  189    HA   HIS  27           HA       HIS  27  -4.411 -15.865  -6.755
  190   1HB   HIS  27          2HB       HIS  27  -2.437 -13.742  -5.921
  191   2HB   HIS  27          1HB       HIS  27  -3.605 -13.698  -7.237
  192    HD1  HIS  27           HD1      HIS  27  -3.087 -12.049  -4.282
  193    HD2  HIS  27           HD2      HIS  27  -6.398 -14.076  -5.767
  194    HE1  HIS  27           HE1      HIS  27  -5.027 -11.174  -2.997
  195    HE2  HIS  27           HE2      HIS  27  -6.986 -12.562  -3.751
  196    HA   PRO  28           HA       PRO  28  -0.755 -17.860  -8.350
  197   1HB   PRO  28          2HB       PRO  28  -0.990 -16.386 -10.881
  198   2HB   PRO  28          1HB       PRO  28  -1.254 -18.100 -10.557
  199   1HG   PRO  28          2HG       PRO  28  -3.286 -16.429 -11.143
  200   2HG   PRO  28          1HG       PRO  28  -3.482 -17.792 -10.025
  201   1HD   PRO  28          2HD       PRO  28  -3.052 -14.880  -9.402
  202   2HD   PRO  28          1HD       PRO  28  -4.200 -16.028  -8.674
  203    H    ARG  29           H        ARG  29   0.003 -15.680  -6.792
  204    HA   ARG  29           HA       ARG  29   1.759 -14.441  -6.252
  205   1HB   ARG  29          2HB       ARG  29   3.013 -16.321  -7.387
  206   2HB   ARG  29          1HB       ARG  29   3.077 -15.294  -8.811
  207   1HG   ARG  29          2HG       ARG  29   5.125 -15.021  -7.645
  208   2HG   ARG  29          1HG       ARG  29   4.200 -13.548  -7.399
  209   1HD   ARG  29          2HD       ARG  29   3.530 -14.281  -5.197
  210   2HD   ARG  29          1HD       ARG  29   4.298 -15.849  -5.442
  211    HE   ARG  29           HE       ARG  29   6.237 -13.852  -5.726
  212   1HH1  ARG  29          1HH1      ARG  29   4.233 -15.228  -3.303
  213   2HH1  ARG  29          2HH1      ARG  29   5.334 -14.887  -2.021
  214   1HH2  ARG  29          1HH2      ARG  29   7.682 -13.440  -4.063
  215   2HH2  ARG  29          2HH2      ARG  29   7.278 -13.916  -2.455
  216    H    VAL  30           H        VAL  30   0.618 -12.631  -6.409
  217    HA   VAL  30           HA       VAL  30   0.798 -11.024  -8.878
  218    HB   VAL  30           HB       VAL  30  -1.112 -10.679  -6.550
  219   1HG1  VAL  30          1HG1      VAL  30  -0.986  -9.236  -9.208
  220   2HG1  VAL  30          2HG1      VAL  30  -0.619  -8.545  -7.627
  221   3HG1  VAL  30          3HG1      VAL  30  -2.262  -9.057  -8.004
  222   1HG2  VAL  30          1HG2      VAL  30  -2.836 -11.466  -8.096
  223   2HG2  VAL  30          2HG2      VAL  30  -1.589 -12.692  -7.861
  224   3HG2  VAL  30          3HG2      VAL  30  -1.613 -11.728  -9.338
  225    H    TRP  31           H        TRP  31   2.406  -9.602  -8.849
  226    HA   TRP  31           HA       TRP  31   3.362  -8.492  -6.315
  227   1HB   TRP  31          2HB       TRP  31   4.524  -8.480  -9.107
  228   2HB   TRP  31          1HB       TRP  31   5.239  -7.594  -7.761
  229    HD1  TRP  31           HD       TRP  31   4.866 -11.107  -9.168
  230    HE1  TRP  31           HE1      TRP  31   6.397 -12.698  -7.847
  231    HE3  TRP  31           HE3      TRP  31   6.251  -7.944  -5.408
  232    HZ2  TRP  31           HZ2      TRP  31   7.982 -12.619  -5.511
  233    HZ3  TRP  31           HZ3      TRP  31   7.774  -8.775  -3.664
  234    HH2  TRP  31           HH       TRP  31   8.621 -11.065  -3.712
  235    H    LEU  32           H        LEU  32   2.559  -6.622  -5.636
  236    HA   LEU  32           HA       LEU  32   1.622  -4.610  -7.547
  237   1HB   LEU  32          2HB       LEU  32   1.434  -4.799  -4.536
  238   2HB   LEU  32          1HB       LEU  32   0.950  -3.372  -5.430
  239    HG   LEU  32           HG       LEU  32  -0.724  -4.776  -6.659
  240   1HD1  LEU  32          1HD1      LEU  32   0.284  -6.965  -6.372
  241   2HD1  LEU  32          2HD1      LEU  32  -1.350  -6.951  -5.709
  242   3HD1  LEU  32          3HD1      LEU  32   0.041  -6.874  -4.627
  243   1HD2  LEU  32          1HD2      LEU  32  -2.322  -4.858  -4.819
  244   2HD2  LEU  32          2HD2      LEU  32  -1.359  -3.382  -4.755
  245   3HD2  LEU  32          3HD2      LEU  32  -1.004  -4.713  -3.655
  246    H    GLN  33           H        GLN  33   3.122  -3.286  -8.339
  247    HA   GLN  33           HA       GLN  33   5.518  -2.633  -6.795
  248   1HB   GLN  33          2HB       GLN  33   5.799  -3.323  -9.129
  249   2HB   GLN  33          1HB       GLN  33   4.754  -2.016  -9.663
  250   1HG   GLN  33          2HG       GLN  33   7.023  -1.397 -10.080
  251   2HG   GLN  33          1HG       GLN  33   6.402  -0.390  -8.774
  252   1HE2  GLN  33          1HE2      GLN  33   8.438   0.069  -7.973
  253   2HE2  GLN  33          2HE2      GLN  33   9.420  -1.103  -7.177
  254    H    ILE  34           H        ILE  34   5.306  -0.972  -5.413
  255    HA   ILE  34           HA       ILE  34   3.424   1.160  -5.782
  256    HB   ILE  34           HB       ILE  34   5.668   0.871  -3.765
  257   1HG1  ILE  34          2HG1      ILE  34   2.685   0.381  -3.501
  258   2HG1  ILE  34          1HG1      ILE  34   3.909  -0.877  -3.618
  259   1HG2  ILE  34          1HG2      ILE  34   4.463   2.615  -2.493
  260   2HG2  ILE  34          2HG2      ILE  34   3.362   2.824  -3.854
  261   3HG2  ILE  34          3HG2      ILE  34   5.072   3.208  -4.037
  262   1HD1  ILE  34          1HD1      ILE  34   3.619   1.123  -1.387
  263   2HD1  ILE  34          2HD1      ILE  34   4.885  -0.100  -1.504
  264   3HD1  ILE  34          3HD1      ILE  34   3.197  -0.585  -1.331
  265    HA   PRO  35           HA       PRO  35   6.336   3.618  -8.203
  266   1HB   PRO  35          2HB       PRO  35   4.583   5.360  -9.192
  267   2HB   PRO  35          1HB       PRO  35   4.506   3.655  -9.660
  268   1HG   PRO  35          2HG       PRO  35   2.865   5.127  -7.616
  269   2HG   PRO  35          1HG       PRO  35   2.318   4.004  -8.874
  270   1HD   PRO  35          2HD       PRO  35   2.755   3.285  -6.252
  271   2HD   PRO  35          1HD       PRO  35   2.844   2.153  -7.616
  272    H    GLU  36           H        GLU  36   7.515   5.501  -7.820
  273    HA   GLU  36           HA       GLU  36   7.039   7.005  -5.436
  274   1HB   GLU  36          2HB       GLU  36   8.917   8.411  -6.102
  275   2HB   GLU  36          1HB       GLU  36   9.324   6.714  -6.283
  276   1HG   GLU  36          2HG       GLU  36   8.417   8.422  -8.592
  277   2HG   GLU  36          1HG       GLU  36  10.104   8.294  -8.107
  278    H    ASP  37           H        ASP  37   5.713   7.180  -8.539
  279    HA   ASP  37           HA       ASP  37   5.013   9.897  -8.759
  280   1HB   ASP  37          2HB       ASP  37   3.321   7.515  -9.574
  281   2HB   ASP  37          1HB       ASP  37   3.234   9.146 -10.238
  282    H    THR  38           H        THR  38   3.526   7.223  -7.003
  283    HA   THR  38           HA       THR  38   1.438   9.021  -5.921
  284    HB   THR  38           HB       THR  38   0.123   7.037  -5.433
  285    HG1  THR  38           HG1      THR  38   0.915   4.975  -5.854
  286   1HG2  THR  38          1HG2      THR  38  -0.048   7.935  -7.715
  287   2HG2  THR  38          2HG2      THR  38  -0.271   6.184  -7.697
  288   3HG2  THR  38          3HG2      THR  38   1.264   6.872  -8.231
  289    H    GLY  39           H        GLY  39   3.521   6.291  -4.937
  290   1HA   GLY  39          2HA       GLY  39   4.778   6.216  -2.909
  291   2HA   GLY  39          1HA       GLY  39   3.708   7.428  -2.222
  292    H    TRP  40           H        TRP  40   1.822   5.271  -3.846
  293    HA   TRP  40           HA       TRP  40   1.575   3.235  -1.809
  294   1HB   TRP  40          2HB       TRP  40  -0.776   3.811  -1.237
  295   2HB   TRP  40          1HB       TRP  40   0.355   5.059  -0.729
  296    HD1  TRP  40           HD       TRP  40   0.296   7.395  -2.070
  297    HE1  TRP  40           HE1      TRP  40  -1.540   8.503  -3.491
  298    HE3  TRP  40           HE3      TRP  40  -2.708   3.328  -2.837
  299    HZ2  TRP  40           HZ2      TRP  40  -3.953   7.758  -4.760
  300    HZ3  TRP  40           HZ3      TRP  40  -4.762   3.610  -4.160
  301    HH2  TRP  40           HH       TRP  40  -5.373   5.779  -5.104
  302    H    VAL  41           H        VAL  41  -0.230   1.688  -2.349
  303    HA   VAL  41           HA       VAL  41  -1.308   1.928  -5.061
  304    HB   VAL  41           HB       VAL  41   0.762   0.618  -5.339
  305   1HG1  VAL  41          1HG1      VAL  41   0.989  -1.609  -4.348
  306   2HG1  VAL  41          2HG1      VAL  41  -0.498  -1.359  -3.435
  307   3HG1  VAL  41          3HG1      VAL  41   0.917  -0.356  -3.109
  308   1HG2  VAL  41          1HG2      VAL  41  -0.224  -1.335  -6.480
  309   2HG2  VAL  41          2HG2      VAL  41  -1.095   0.158  -6.833
  310   3HG2  VAL  41          3HG2      VAL  41  -1.764  -1.004  -5.685
  311    H    GLU  42           H        GLU  42  -3.364   1.146  -5.241
  312    HA   GLU  42           HA       GLU  42  -4.586  -0.006  -2.845
  313   1HB   GLU  42          2HB       GLU  42  -6.730   0.446  -3.879
  314   2HB   GLU  42          1HB       GLU  42  -5.729   1.885  -3.969
  315   1HG   GLU  42          2HG       GLU  42  -6.053  -0.040  -6.266
  316   2HG   GLU  42          1HG       GLU  42  -7.113   1.339  -6.009
  317    H    CYS  43           H        CYS  43  -5.276  -2.084  -2.683
  318    HA   CYS  43           HA       CYS  43  -4.692  -3.839  -4.976
  319   1HB   CYS  43          2HB       CYS  43  -3.471  -4.438  -2.969
  320   2HB   CYS  43          1HB       CYS  43  -4.964  -4.494  -2.034
  321    HG   CYS  43           HG       CYS  43  -4.195  -7.111  -2.411
  322    HA   PRO  44           HA       PRO  44  -9.239  -4.353  -5.151
  323   1HB   PRO  44          2HB       PRO  44  -9.294  -5.280  -7.695
  324   2HB   PRO  44          1HB       PRO  44  -9.166  -3.557  -7.322
  325   1HG   PRO  44          2HG       PRO  44  -7.001  -5.498  -8.069
  326   2HG   PRO  44          1HG       PRO  44  -7.272  -3.847  -8.656
  327   1HD   PRO  44          2HD       PRO  44  -5.445  -4.441  -6.734
  328   2HD   PRO  44          1HD       PRO  44  -6.309  -2.890  -6.787
  329    H    TYR  45           H        TYR  45  -6.625  -6.446  -5.064
  330    HA   TYR  45           HA       TYR  45  -8.133  -8.910  -5.443
  331   1HB   TYR  45          2HB       TYR  45  -5.249  -8.533  -4.591
  332   2HB   TYR  45          1HB       TYR  45  -5.997 -10.040  -5.103
  333    HD1  TYR  45           HD2      TYR  45  -4.686  -6.795  -6.233
  334    HD2  TYR  45           HD1      TYR  45  -6.397 -10.499  -7.458
  335    HE1  TYR  45           HE2      TYR  45  -4.011  -6.335  -8.551
  336    HE2  TYR  45           HE1      TYR  45  -5.718 -10.052  -9.781
  337    HH   TYR  45           HH       TYR  45  -5.147  -8.171 -11.208
  338    H    CYS  46           H        CYS  46  -6.563  -7.119  -2.812
  339    HA   CYS  46           HA       CYS  46  -7.720  -9.017  -0.857
  340   1HB   CYS  46          2HB       CYS  46  -5.278  -9.172  -0.929
  341   2HB   CYS  46          1HB       CYS  46  -5.142  -7.445  -0.630
  342    HG   CYS  46           HG       CYS  46  -6.612  -9.572   1.609
  343    H    ASP  47           H        ASP  47  -8.134  -5.985  -2.013
  344    HA   ASP  47           HA       ASP  47  -9.294  -4.164  -1.323
  345   1HB   ASP  47          2HB       ASP  47 -10.217  -6.112   0.801
  346   2HB   ASP  47          1HB       ASP  47 -10.951  -4.537   0.516
  347    H    CYS  48           H        CYS  48  -6.728  -3.868  -0.620
  348    HA   CYS  48           HA       CYS  48  -6.935  -2.229   1.783
  349   1HB   CYS  48          2HB       CYS  48  -4.874  -4.427   1.493
  350   2HB   CYS  48          1HB       CYS  48  -4.728  -3.109   2.649
  351    HG   CYS  48           HG       CYS  48  -7.665  -4.629   2.928
  352    H    LYS  49           H        LYS  49  -5.198  -0.660   1.999
  353    HA   LYS  49           HA       LYS  49  -3.933  -0.022  -0.595
  354   1HB   LYS  49          2HB       LYS  49  -5.480   1.688   0.267
  355   2HB   LYS  49          1HB       LYS  49  -4.536   1.801   1.749
  356   1HG   LYS  49          2HG       LYS  49  -2.639   2.678   0.528
  357   2HG   LYS  49          1HG       LYS  49  -3.477   2.451  -1.004
  358   1HD   LYS  49          2HD       LYS  49  -3.673   4.753  -0.513
  359   2HD   LYS  49          1HD       LYS  49  -5.243   4.053  -0.129
  360   1HE   LYS  49          2HE       LYS  49  -3.093   4.570   1.931
  361   2HE   LYS  49          1HE       LYS  49  -4.363   5.724   1.543
  362   1HZ   LYS  49          1HZ       LYS  49  -5.988   3.990   2.177
  363   2HZ   LYS  49          2HZ       LYS  49  -5.012   4.504   3.453
  364   3HZ   LYS  49          3HZ       LYS  49  -4.710   3.022   2.709
  365    H    TYR  50           H        TYR  50  -1.791  -0.283  -0.778
  366    HA   TYR  50           HA       TYR  50  -0.182  -0.623   1.658
  367   1HB   TYR  50          2HB       TYR  50   0.290  -1.431  -1.221
  368   2HB   TYR  50          1HB       TYR  50   1.533  -1.551   0.018
  369    HD1  TYR  50           HD1      TYR  50  -1.949  -2.687  -0.744
  370    HD2  TYR  50           HD2      TYR  50   1.702  -3.494   1.290
  371    HE1  TYR  50           HE1      TYR  50  -2.797  -4.910  -0.112
  372    HE2  TYR  50           HE2      TYR  50   0.865  -5.716   1.923
  373    HH   TYR  50           HH       TYR  50  -1.206  -6.899   2.197
  374    H    VAL  51           H        VAL  51   1.005   1.044   2.348
  375    HA   VAL  51           HA       VAL  51   1.877   3.096   0.408
  376    HB   VAL  51           HB       VAL  51   1.781   3.208   3.435
  377   1HG1  VAL  51          1HG1      VAL  51   3.641   4.551   2.600
  378   2HG1  VAL  51          2HG1      VAL  51   2.348   5.589   3.192
  379   3HG1  VAL  51          3HG1      VAL  51   2.567   5.359   1.457
  380   1HG2  VAL  51          1HG2      VAL  51  -0.022   4.828   3.097
  381   2HG2  VAL  51          2HG2      VAL  51  -0.424   3.278   2.355
  382   3HG2  VAL  51          3HG2      VAL  51   0.113   4.623   1.349
  383    H    LEU  52           H        LEU  52   4.013   3.601   0.069
  384    HA   LEU  52           HA       LEU  52   5.973   1.629   0.938
  385   1HB   LEU  52          2HB       LEU  52   5.919   2.237  -1.409
  386   2HB   LEU  52          1HB       LEU  52   6.159   3.927  -1.012
  387    HG   LEU  52           HG       LEU  52   8.423   3.417  -0.179
  388   1HD1  LEU  52          1HD1      LEU  52   9.421   1.220  -0.579
  389   2HD1  LEU  52          2HD1      LEU  52   7.857   0.605  -1.119
  390   3HD1  LEU  52          3HD1      LEU  52   8.073   1.124   0.554
  391   1HD2  LEU  52          1HD2      LEU  52   7.887   2.419  -2.980
  392   2HD2  LEU  52          2HD2      LEU  52   9.451   2.937  -2.354
  393   3HD2  LEU  52          3HD2      LEU  52   8.133   4.098  -2.497
  394    H    LYS  53           H        LYS  53   7.173   1.915   2.691
  395    HA   LYS  53           HA       LYS  53   7.315   4.291   4.190
  396   1HB   LYS  53          2HB       LYS  53   7.627   2.071   5.168
  397   2HB   LYS  53          1HB       LYS  53   9.115   1.860   4.259
  398   1HG   LYS  53          2HG       LYS  53  10.188   3.627   5.505
  399   2HG   LYS  53          1HG       LYS  53   8.677   4.002   6.340
  400   1HD   LYS  53          2HD       LYS  53  10.219   1.406   6.532
  401   2HD   LYS  53          1HD       LYS  53  10.161   2.670   7.764
  402   1HE   LYS  53          2HE       LYS  53   7.763   2.322   8.028
  403   2HE   LYS  53          1HE       LYS  53   7.782   1.106   6.753
  404   1HZ   LYS  53          1HZ       LYS  53   7.786   0.075   8.918
  405   2HZ   LYS  53          2HZ       LYS  53   9.185   0.917   9.362
  406   3HZ   LYS  53          3HZ       LYS  53   9.250  -0.243   8.131
  407    H    GLY  54           H        GLY  54   8.701   5.989   4.199
  408   1HA   GLY  54          2HA       GLY  54  10.718   7.135   3.816
  409   2HA   GLY  54          1HA       GLY  54  11.261   5.815   2.795
  410    H    SER  55           H        SER  55   8.303   6.295   1.615
  411    HA   SER  55           HA       SER  55   9.233   7.855  -0.631
  412   1HB   SER  55          2HB       SER  55   7.692   5.972  -0.986
  413   2HB   SER  55          1HB       SER  55   6.464   6.780  -0.008
  414    HG   SER  55           HG       SER  55   6.859   7.020  -2.596
  415    H    LYS  56           H        LYS  56   7.413   9.553  -1.475
  416    HA   LYS  56           HA       LYS  56   7.584  11.764   0.303
  417   1HB   LYS  56          2HB       LYS  56   7.522  12.017  -2.160
  418   2HB   LYS  56          1HB       LYS  56   5.850  11.469  -2.164
  419   1HG   LYS  56          2HG       LYS  56   5.235  13.409  -0.763
  420   2HG   LYS  56          1HG       LYS  56   6.906  13.970  -0.846
  421   1HD   LYS  56          2HD       LYS  56   6.720  14.174  -3.282
  422   2HD   LYS  56          1HD       LYS  56   5.053  13.597  -3.204
  423   1HE   LYS  56          2HE       LYS  56   4.474  15.539  -1.793
  424   2HE   LYS  56          1HE       LYS  56   6.130  16.121  -1.943
  425   1HZ   LYS  56          1HZ       LYS  56   4.654  17.227  -3.495
  426   2HZ   LYS  56          2HZ       LYS  56   4.229  15.747  -4.186
  427   3HZ   LYS  56          3HZ       LYS  56   5.812  16.316  -4.322
  428    H    ALA  57           H        ALA  57   5.138   9.352  -0.264
  429    HA   ALA  57           HA       ALA  57   3.020  10.708   1.125
  430   1HB   ALA  57          1HB       ALA  57   2.583   9.007  -0.603
  431   2HB   ALA  57          2HB       ALA  57   1.810   8.605   0.933
  432   3HB   ALA  57          3HB       ALA  57   3.289   7.775   0.443
  433    H    ASP  58           H        ASP  58   5.689   8.701   2.060
  434    HA   ASP  58           HA       ASP  58   4.601   8.429   4.783
  435   1HB   ASP  58          2HB       ASP  58   5.062   6.280   3.683
  436   2HB   ASP  58          1HB       ASP  58   6.738   6.762   3.424
  437    H    ALA  59           H        ALA  59   5.265  10.534   5.387
  438    HA   ALA  59           HA       ALA  59   8.169  10.918   5.686
  439   1HB   ALA  59          1HB       ALA  59   5.913  12.885   6.112
  440   2HB   ALA  59          2HB       ALA  59   6.942  12.780   4.681
  441   3HB   ALA  59          3HB       ALA  59   7.634  13.244   6.237
  442    H    LEU  60           H        LEU  60   5.378  10.011   7.404
  443    HA   LEU  60           HA       LEU  60   6.018  10.966   9.992
  444   1HB   LEU  60          2HB       LEU  60   4.306   9.263  10.735
  445   2HB   LEU  60          1HB       LEU  60   3.766  10.463   9.579
  446    HG   LEU  60           HG       LEU  60   4.190   8.679   7.774
  447   1HD1  LEU  60          1HD1      LEU  60   4.170   6.892  10.203
  448   2HD1  LEU  60          2HD1      LEU  60   5.500   7.116   9.065
  449   3HD1  LEU  60          3HD1      LEU  60   4.003   6.351   8.531
  450   1HD2  LEU  60          1HD2      LEU  60   1.989   7.660   8.137
  451   2HD2  LEU  60          2HD2      LEU  60   1.967   9.400   8.412
  452   3HD2  LEU  60          3HD2      LEU  60   1.973   8.292   9.785
  453    H    GLU  61           H        GLU  61   7.563   8.559   8.232
  454    HA   GLU  61           HA       GLU  61   8.317   6.976  10.555
  455   1HB   GLU  61          2HB       GLU  61   7.990   5.838   8.422
  456   2HB   GLU  61          1HB       GLU  61   9.237   6.825   7.677
  457   1HG   GLU  61          2HG       GLU  61  10.099   4.627   8.155
  458   2HG   GLU  61          1HG       GLU  61  10.915   5.823   9.155
  459    H    HIS  62           H        HIS  62  10.392   8.454   8.044
  460    HA   HIS  62           HA       HIS  62  12.524   8.772   9.985
  461   1HB   HIS  62          2HB       HIS  62  12.889   7.958   7.632
  462   2HB   HIS  62          1HB       HIS  62  12.526   9.586   7.068
  463    HD1  HIS  62           HD1      HIS  62  15.160   7.553   8.736
  464    HD2  HIS  62           HD2      HIS  62  14.574  11.488   7.554
  465    HE1  HIS  62           HE1      HIS  62  17.410   8.640   8.895
  466    HE2  HIS  62           HE2      HIS  62  16.992  11.063   8.357
  467    H    HIS  63           H        HIS  63  10.080  10.763   8.612
  468    HA   HIS  63           HA       HIS  63   9.386  12.863   9.053
  469   1HB   HIS  63          2HB       HIS  63  10.104  12.243  11.403
  470   2HB   HIS  63          1HB       HIS  63  11.598  13.122  11.092
  471    HD1  HIS  63           HD1      HIS  63   7.902  13.658  11.545
  472    HD2  HIS  63           HD2      HIS  63  11.394  15.889  11.238
  473    HE1  HIS  63           HE1      HIS  63   7.256  16.002  12.152
  474    HE2  HIS  63           HE2      HIS  63   9.366  17.350  11.906
  475    H    HIS  64           H        HIS  64  12.598  12.321   8.020
  476    HA   HIS  64           HA       HIS  64  12.616  14.947   6.702
  477   1HB   HIS  64          2HB       HIS  64  15.026  13.789   8.134
  478   2HB   HIS  64          1HB       HIS  64  15.014  15.258   7.170
  479    HD1  HIS  64           HD1      HIS  64  13.533  17.262   8.172
  480    HD2  HIS  64           HD2      HIS  64  14.409  14.143  10.772
  481    HE1  HIS  64           HE1      HIS  64  13.111  18.168  10.472
  482    HE2  HIS  64           HE2      HIS  64  13.881  16.343  12.023
  483    H    HIS  65           H        HIS  65  14.397  15.005   4.970
  484    HA   HIS  65           HA       HIS  65  14.576  12.375   3.629
  485   1HB   HIS  65          2HB       HIS  65  14.827  15.186   2.516
  486   2HB   HIS  65          1HB       HIS  65  15.081  13.722   1.573
  487    HD1  HIS  65           HD1      HIS  65  13.166  13.966  -0.017
  488    HD2  HIS  65           HD2      HIS  65  11.972  14.255   3.946
  489    HE1  HIS  65           HE1      HIS  65  10.663  13.982  -0.078
  490    HE2  HIS  65           HE2      HIS  65   9.986  14.421   2.304
  491    H    HIS  66           H        HIS  66  16.589  11.665   2.766
  492    HA   HIS  66           HA       HIS  66  19.011  12.787   3.889
  493   1HB   HIS  66          2HB       HIS  66  18.653  10.709   1.702
  494   2HB   HIS  66          1HB       HIS  66  20.174  11.106   2.496
  495    HD1  HIS  66           HD1      HIS  66  17.688   8.630   2.574
  496    HD2  HIS  66           HD2      HIS  66  19.770  10.693   5.517
  497    HE1  HIS  66           HE1      HIS  66  17.507   7.218   4.636
  498    HE2  HIS  66           HE2      HIS  66  18.901   8.408   6.358
  499    H    HIS  67           H        HIS  67  17.335  12.782   0.804
  500    HA   HIS  67           HA       HIS  67  18.875  15.167   0.005
  501   1HB   HIS  67          2HB       HIS  67  19.502  13.266  -1.436
  502   2HB   HIS  67          1HB       HIS  67  17.809  13.007  -1.841
  503    HD1  HIS  67           HD1      HIS  67  16.651  15.085  -3.167
  504    HD2  HIS  67           HD2      HIS  67  20.804  15.009  -3.077
  505    HE1  HIS  67           HE1      HIS  67  17.390  16.625  -5.004
  506    HE2  HIS  67           HE2      HIS  67  19.893  16.720  -4.784
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -19.450   2.984  -2.606
    2   2H    MET   1          2H        MET   1 -19.356   1.762  -3.767
    3   3H    MET   1          3H        MET   1 -20.387   3.077  -4.010
    4    HA   MET   1           HA       MET   1 -18.432   3.308  -5.375
    5   1HB   MET   1          2HB       MET   1 -18.494   5.239  -3.040
    6   2HB   MET   1          1HB       MET   1 -17.661   5.536  -4.558
    7   1HG   MET   1          2HG       MET   1 -19.822   5.410  -5.738
    8   2HG   MET   1          1HG       MET   1 -20.636   5.180  -4.189
    9   1HE   MET   1          1HE       MET   1 -20.745   7.041  -2.284
   10   2HE   MET   1          2HE       MET   1 -19.931   8.600  -2.404
   11   3HE   MET   1          3HE       MET   1 -18.983   7.118  -2.287
   12    H    THR   2           H        THR   2 -17.489   3.481  -1.923
   13    HA   THR   2           HA       THR   2 -14.732   2.764  -2.634
   14    HB   THR   2           HB       THR   2 -14.201   3.272  -0.261
   15    HG1  THR   2           HG1      THR   2 -16.454   4.528   0.454
   16   1HG2  THR   2          1HG2      THR   2 -15.785   5.459  -1.635
   17   2HG2  THR   2          2HG2      THR   2 -14.087   5.081  -1.923
   18   3HG2  THR   2          3HG2      THR   2 -14.597   5.696  -0.351
   19    H    ILE   3           H        ILE   3 -13.602   1.071  -1.484
   20    HA   ILE   3           HA       ILE   3 -15.149  -1.286  -0.936
   21    HB   ILE   3           HB       ILE   3 -13.001  -2.327  -0.315
   22   1HG1  ILE   3          2HG1      ILE   3 -11.819   0.427  -0.808
   23   2HG1  ILE   3          1HG1      ILE   3 -11.959  -0.354   0.763
   24   1HG2  ILE   3          1HG2      ILE   3 -12.901  -0.706  -2.861
   25   2HG2  ILE   3          2HG2      ILE   3 -13.661  -2.284  -2.651
   26   3HG2  ILE   3          3HG2      ILE   3 -11.911  -2.127  -2.511
   27   1HD1  ILE   3          1HD1      ILE   3 -10.445  -2.123   0.002
   28   2HD1  ILE   3          2HD1      ILE   3  -9.702  -0.524  -0.083
   29   3HD1  ILE   3          3HD1      ILE   3 -10.289  -1.305  -1.553
   30    H    GLN   4           H        GLN   4 -15.074   1.342   0.811
   31    HA   GLN   4           HA       GLN   4 -15.245   2.023   2.941
   32   1HB   GLN   4          2HB       GLN   4 -16.823   0.857   4.283
   33   2HB   GLN   4          1HB       GLN   4 -17.300   0.609   2.611
   34   1HG   GLN   4          2HG       GLN   4 -16.272  -1.639   2.682
   35   2HG   GLN   4          1HG       GLN   4 -15.875  -1.377   4.378
   36   1HE2  GLN   4          1HE2      GLN   4 -18.410  -2.002   2.102
   37   2HE2  GLN   4          2HE2      GLN   4 -19.626  -2.395   3.260
   38    H    ALA   5           H        ALA   5 -12.767   0.373   2.293
   39    HA   ALA   5           HA       ALA   5 -11.925  -0.037   5.090
   40   1HB   ALA   5          1HB       ALA   5 -12.293  -2.221   4.017
   41   2HB   ALA   5          2HB       ALA   5 -10.603  -1.971   4.449
   42   3HB   ALA   5          3HB       ALA   5 -11.120  -1.796   2.771
   43    HA   PRO   6           HA       PRO   6  -8.820   2.767   3.242
   44   1HB   PRO   6          2HB       PRO   6  -8.648   4.507   5.255
   45   2HB   PRO   6          1HB       PRO   6 -10.069   4.485   4.204
   46   1HG   PRO   6          2HG       PRO   6  -9.735   3.372   6.962
   47   2HG   PRO   6          1HG       PRO   6 -11.128   4.214   6.256
   48   1HD   PRO   6          2HD       PRO   6 -10.849   1.439   6.494
   49   2HD   PRO   6          1HD       PRO   6 -11.996   2.275   5.429
   50    H    GLU   7           H        GLU   7  -8.247   0.212   4.646
   51    HA   GLU   7           HA       GLU   7  -6.372   0.594   6.732
   52   1HB   GLU   7          2HB       GLU   7  -7.532  -1.529   6.396
   53   2HB   GLU   7          1HB       GLU   7  -6.725  -1.746   4.848
   54   1HG   GLU   7          2HG       GLU   7  -4.552  -1.832   6.025
   55   2HG   GLU   7          1HG       GLU   7  -5.410  -1.704   7.562
   56    H    THR   8           H        THR   8  -4.448   1.564   6.553
   57    HA   THR   8           HA       THR   8  -2.954   1.513   4.042
   58    HB   THR   8           HB       THR   8  -1.490   3.179   5.170
   59    HG1  THR   8           HG1      THR   8  -1.920   2.490   7.349
   60   1HG2  THR   8          1HG2      THR   8  -3.360   3.955   3.810
   61   2HG2  THR   8          2HG2      THR   8  -3.118   5.024   5.189
   62   3HG2  THR   8          3HG2      THR   8  -4.435   3.851   5.206
   63    H    LYS   9           H        LYS   9  -1.512  -0.085   3.758
   64    HA   LYS   9           HA       LYS   9  -0.185  -1.285   6.088
   65   1HB   LYS   9          2HB       LYS   9  -0.289  -2.226   3.208
   66   2HB   LYS   9          1HB       LYS   9   0.480  -3.086   4.538
   67   1HG   LYS   9          2HG       LYS   9  -1.634  -3.443   5.613
   68   2HG   LYS   9          1HG       LYS   9  -2.452  -2.408   4.443
   69   1HD   LYS   9          2HD       LYS   9  -1.836  -4.003   2.649
   70   2HD   LYS   9          1HD       LYS   9  -1.087  -5.043   3.857
   71   1HE   LYS   9          2HE       LYS   9  -4.008  -4.267   3.811
   72   2HE   LYS   9          1HE       LYS   9  -3.354  -5.789   3.210
   73   1HZ   LYS   9          1HZ       LYS   9  -3.330  -4.817   6.013
   74   2HZ   LYS   9          2HZ       LYS   9  -2.505  -6.193   5.484
   75   3HZ   LYS   9          3HZ       LYS   9  -4.187  -6.134   5.391
   76    H    ILE  10           H        ILE  10   1.530  -0.046   6.610
   77    HA   ILE  10           HA       ILE  10   3.123   1.284   4.587
   78    HB   ILE  10           HB       ILE  10   3.520   1.188   7.587
   79   1HG1  ILE  10          2HG1      ILE  10   2.193   3.286   5.839
   80   2HG1  ILE  10          1HG1      ILE  10   1.365   2.206   6.958
   81   1HG2  ILE  10          1HG2      ILE  10   5.575   1.758   6.380
   82   2HG2  ILE  10          2HG2      ILE  10   4.954   3.144   7.274
   83   3HG2  ILE  10          3HG2      ILE  10   4.722   3.046   5.528
   84   1HD1  ILE  10          1HD1      ILE  10   1.584   4.408   7.916
   85   2HD1  ILE  10          2HD1      ILE  10   3.332   4.368   7.687
   86   3HD1  ILE  10          3HD1      ILE  10   2.566   3.261   8.827
   87    H    VAL  11           H        VAL  11   4.405  -0.060   3.431
   88    HA   VAL  11           HA       VAL  11   6.004  -2.101   4.848
   89    HB   VAL  11           HB       VAL  11   6.226  -3.230   2.662
   90   1HG1  VAL  11          1HG1      VAL  11   4.407  -3.866   4.177
   91   2HG1  VAL  11          2HG1      VAL  11   3.920  -4.039   2.489
   92   3HG1  VAL  11          3HG1      VAL  11   3.356  -2.658   3.432
   93   1HG2  VAL  11          1HG2      VAL  11   6.034  -1.257   1.213
   94   2HG2  VAL  11          2HG2      VAL  11   4.333  -1.099   1.650
   95   3HG2  VAL  11          3HG2      VAL  11   4.883  -2.508   0.745
   96    H    ASP  12           H        ASP  12   8.185  -2.502   4.127
   97    HA   ASP  12           HA       ASP  12   9.591  -0.044   3.332
   98   1HB   ASP  12          2HB       ASP  12  10.180  -1.127   5.488
   99   2HB   ASP  12          1HB       ASP  12  10.611  -2.596   4.620
  100    H    LYS  13           H        LYS  13   8.208  -1.870   1.438
  101    HA   LYS  13           HA       LYS  13  10.437  -2.474  -0.361
  102   1HB   LYS  13          2HB       LYS  13  10.055  -4.548   0.878
  103   2HB   LYS  13          1HB       LYS  13   8.343  -4.492   0.484
  104   1HG   LYS  13          2HG       LYS  13   8.852  -4.836  -1.874
  105   2HG   LYS  13          1HG       LYS  13  10.580  -4.822  -1.512
  106   1HD   LYS  13          2HD       LYS  13   9.726  -7.113  -1.759
  107   2HD   LYS  13          1HD       LYS  13  10.326  -6.817  -0.125
  108   1HE   LYS  13          2HE       LYS  13   7.987  -6.409   0.610
  109   2HE   LYS  13          1HE       LYS  13   7.434  -6.818  -1.013
  110   1HZ   LYS  13          1HZ       LYS  13   8.394  -9.027  -0.722
  111   2HZ   LYS  13          2HZ       LYS  13   7.232  -8.699   0.459
  112   3HZ   LYS  13          3HZ       LYS  13   8.878  -8.623   0.850
  113    H    SER  14           H        SER  14   9.967  -1.954  -2.451
  114    HA   SER  14           HA       SER  14   7.387  -0.778  -3.035
  115   1HB   SER  14          2HB       SER  14   9.674  -1.191  -4.974
  116   2HB   SER  14          1HB       SER  14   8.358  -0.026  -5.094
  117    HG   SER  14           HG       SER  14  10.073   1.106  -4.310
  118    H    ARG  15           H        ARG  15   8.971  -3.797  -3.721
  119    HA   ARG  15           HA       ARG  15   6.905  -4.550  -5.681
  120   1HB   ARG  15          2HB       ARG  15   9.425  -6.053  -4.915
  121   2HB   ARG  15          1HB       ARG  15   8.369  -6.388  -6.287
  122   1HG   ARG  15          2HG       ARG  15   8.992  -4.335  -7.354
  123   2HG   ARG  15          1HG       ARG  15   9.882  -3.813  -5.928
  124   1HD   ARG  15          2HD       ARG  15  11.400  -5.799  -6.271
  125   2HD   ARG  15          1HD       ARG  15  10.588  -6.064  -7.818
  126    HE   ARG  15           HE       ARG  15  11.452  -3.401  -7.681
  127   1HH1  ARG  15          1HH1      ARG  15  12.741  -6.579  -8.074
  128   2HH1  ARG  15          2HH1      ARG  15  14.173  -6.001  -8.852
  129   1HH2  ARG  15          1HH2      ARG  15  13.281  -2.695  -8.675
  130   2HH2  ARG  15          2HH2      ARG  15  14.475  -3.839  -9.190
  131    H    VAL  16           H        VAL  16   5.151  -5.041  -4.441
  132    HA   VAL  16           HA       VAL  16   5.524  -6.803  -2.095
  133    HB   VAL  16           HB       VAL  16   3.203  -4.940  -2.664
  134   1HG1  VAL  16          1HG1      VAL  16   2.593  -5.342  -0.315
  135   2HG1  VAL  16          2HG1      VAL  16   3.919  -6.496  -0.168
  136   3HG1  VAL  16          3HG1      VAL  16   2.572  -6.834  -1.256
  137   1HG2  VAL  16          1HG2      VAL  16   4.154  -3.522  -0.884
  138   2HG2  VAL  16          2HG2      VAL  16   5.224  -3.652  -2.280
  139   3HG2  VAL  16          3HG2      VAL  16   5.567  -4.576  -0.817
  140    H    ALA  17           H        ALA  17   4.922  -8.857  -2.388
  141    HA   ALA  17           HA       ALA  17   2.960  -9.598  -4.392
  142   1HB   ALA  17          1HB       ALA  17   3.468 -11.895  -3.759
  143   2HB   ALA  17          2HB       ALA  17   4.410 -11.325  -2.380
  144   3HB   ALA  17          3HB       ALA  17   4.956 -10.983  -4.021
  145    H    CYS  18           H        CYS  18   0.899  -9.056  -3.825
  146    HA   CYS  18           HA       CYS  18  -0.012  -8.974  -1.113
  147   1HB   CYS  18          2HB       CYS  18  -2.196  -8.387  -2.065
  148   2HB   CYS  18          1HB       CYS  18  -0.912  -7.449  -2.818
  149    HG   CYS  18           HG       CYS  18  -2.313 -10.220  -4.242
  150    H    ASP  19           H        ASP  19  -0.541 -10.684   0.074
  151    HA   ASP  19           HA       ASP  19  -1.441 -13.162  -1.165
  152   1HB   ASP  19          2HB       ASP  19  -0.750 -12.436   1.687
  153   2HB   ASP  19          1HB       ASP  19  -1.410 -14.004   1.231
  154    H    GLY  20           H        GLY  20  -2.637 -11.547   1.792
  155   1HA   GLY  20          2HA       GLY  20  -5.198 -10.917   0.928
  156   2HA   GLY  20          1HA       GLY  20  -5.258 -12.595   1.445
  157    H    GLY  21           H        GLY  21  -6.841 -11.698   2.985
  158   1HA   GLY  21          2HA       GLY  21  -5.491 -10.959   5.485
  159   2HA   GLY  21          1HA       GLY  21  -6.766  -9.904   4.899
  160    H    GLU  22           H        GLU  22  -8.917 -10.634   4.901
  161    HA   GLU  22           HA       GLU  22  -9.604 -12.543   6.917
  162   1HB   GLU  22          2HB       GLU  22 -11.328 -11.183   4.823
  163   2HB   GLU  22          1HB       GLU  22 -11.940 -12.104   6.192
  164   1HG   GLU  22          2HG       GLU  22 -10.997 -10.507   7.744
  165   2HG   GLU  22          1HG       GLU  22 -10.245  -9.621   6.417
  166    H    GLY  23           H        GLY  23 -11.132 -14.376   6.494
  167   1HA   GLY  23          2HA       GLY  23  -9.960 -16.435   5.161
  168   2HA   GLY  23          1HA       GLY  23 -11.681 -16.377   5.488
  169    H    ALA  24           H        ALA  24 -12.681 -14.565   3.781
  170    HA   ALA  24           HA       ALA  24 -12.536 -15.956   1.262
  171   1HB   ALA  24          1HB       ALA  24 -14.104 -13.478   1.994
  172   2HB   ALA  24          2HB       ALA  24 -14.664 -15.138   2.184
  173   3HB   ALA  24          3HB       ALA  24 -14.354 -14.493   0.573
  174    H    LEU  25           H        LEU  25 -10.715 -13.418   2.536
  175    HA   LEU  25           HA       LEU  25 -10.369 -12.054  -0.044
  176   1HB   LEU  25          2HB       LEU  25  -9.405 -11.259   2.702
  177   2HB   LEU  25          1HB       LEU  25  -9.207 -10.313   1.232
  178    HG   LEU  25           HG       LEU  25 -11.809 -10.976   2.628
  179   1HD1  LEU  25          1HD1      LEU  25 -10.531  -9.197   3.682
  180   2HD1  LEU  25          2HD1      LEU  25 -11.987  -8.563   2.916
  181   3HD1  LEU  25          3HD1      LEU  25 -10.417  -8.345   2.141
  182   1HD2  LEU  25          1HD2      LEU  25 -11.380  -9.514   0.017
  183   2HD2  LEU  25          2HD2      LEU  25 -12.908  -9.628   0.889
  184   3HD2  LEU  25          3HD2      LEU  25 -12.163 -11.080   0.223
  185    H    GLY  26           H        GLY  26  -9.115 -14.728   0.890
  186   1HA   GLY  26          2HA       GLY  26  -6.277 -14.189   0.785
  187   2HA   GLY  26          1HA       GLY  26  -7.042 -15.767   0.735
  188    H    HIS  27           H        HIS  27  -4.897 -14.310  -0.938
  189    HA   HIS  27           HA       HIS  27  -6.022 -15.042  -3.570
  190   1HB   HIS  27          2HB       HIS  27  -4.033 -12.805  -3.099
  191   2HB   HIS  27          1HB       HIS  27  -4.828 -13.215  -4.616
  192    HD1  HIS  27           HD1      HIS  27  -5.150 -11.067  -1.706
  193    HD2  HIS  27           HD2      HIS  27  -7.738 -12.733  -4.499
  194    HE1  HIS  27           HE1      HIS  27  -7.278  -9.770  -1.503
  195    HE2  HIS  27           HE2      HIS  27  -8.753 -10.662  -3.327
  196    HA   PRO  28           HA       PRO  28  -2.816 -18.005  -3.919
  197   1HB   PRO  28          2HB       PRO  28  -2.498 -17.165  -6.758
  198   2HB   PRO  28          1HB       PRO  28  -2.855 -18.760  -6.089
  199   1HG   PRO  28          2HG       PRO  28  -4.765 -17.337  -7.271
  200   2HG   PRO  28          1HG       PRO  28  -5.116 -18.282  -5.810
  201   1HD   PRO  28          2HD       PRO  28  -4.679 -15.329  -6.100
  202   2HD   PRO  28          1HD       PRO  28  -5.859 -16.198  -5.096
  203    H    ARG  29           H        ARG  29  -1.888 -15.160  -5.889
  204    HA   ARG  29           HA       ARG  29   0.500 -14.542  -4.687
  205   1HB   ARG  29          2HB       ARG  29   1.170 -16.850  -5.220
  206   2HB   ARG  29          1HB       ARG  29   0.883 -16.545  -6.922
  207   1HG   ARG  29          2HG       ARG  29   2.805 -14.782  -5.491
  208   2HG   ARG  29          1HG       ARG  29   3.295 -16.429  -5.847
  209   1HD   ARG  29          2HD       ARG  29   2.400 -15.827  -8.253
  210   2HD   ARG  29          1HD       ARG  29   2.694 -14.179  -7.706
  211    HE   ARG  29           HE       ARG  29   4.983 -15.648  -7.142
  212   1HH1  ARG  29          1HH1      ARG  29   3.227 -14.617  -9.931
  213   2HH1  ARG  29          2HH1      ARG  29   4.617 -14.691 -10.952
  214   1HH2  ARG  29          1HH2      ARG  29   6.745 -15.707  -8.468
  215   2HH2  ARG  29          2HH2      ARG  29   6.577 -15.304 -10.141
  216    H    VAL  30           H        VAL  30  -0.136 -12.588  -5.275
  217    HA   VAL  30           HA       VAL  30   0.109 -11.814  -8.119
  218    HB   VAL  30           HB       VAL  30  -1.697 -10.516  -6.056
  219   1HG1  VAL  30          1HG1      VAL  30  -0.878  -8.912  -7.701
  220   2HG1  VAL  30          2HG1      VAL  30  -2.596  -9.234  -7.948
  221   3HG1  VAL  30          3HG1      VAL  30  -1.397  -9.971  -9.013
  222   1HG2  VAL  30          1HG2      VAL  30  -3.563 -11.438  -7.355
  223   2HG2  VAL  30          2HG2      VAL  30  -2.537 -12.717  -6.702
  224   3HG2  VAL  30          3HG2      VAL  30  -2.418 -12.272  -8.406
  225    H    TRP  31           H        TRP  31   1.525 -10.152  -8.568
  226    HA   TRP  31           HA       TRP  31   2.906  -8.945  -6.253
  227   1HB   TRP  31          2HB       TRP  31   3.909  -9.695  -9.000
  228   2HB   TRP  31          1HB       TRP  31   4.807  -8.610  -7.944
  229    HD1  TRP  31           HD       TRP  31   3.321 -12.207  -7.738
  230    HE1  TRP  31           HE1      TRP  31   4.926 -13.641  -6.323
  231    HE3  TRP  31           HE3      TRP  31   6.749  -8.617  -6.531
  232    HZ2  TRP  31           HZ2      TRP  31   7.345 -13.289  -4.898
  233    HZ3  TRP  31           HZ3      TRP  31   8.682  -9.240  -5.140
  234    HH2  TRP  31           HH       TRP  31   8.972 -11.534  -4.342
  235    H    LEU  32           H        LEU  32   2.543  -6.865  -5.907
  236    HA   LEU  32           HA       LEU  32   1.698  -5.126  -8.119
  237   1HB   LEU  32          2HB       LEU  32   1.531  -4.826  -5.122
  238   2HB   LEU  32          1HB       LEU  32   1.216  -3.492  -6.216
  239    HG   LEU  32           HG       LEU  32  -0.626  -4.854  -7.248
  240   1HD1  LEU  32          1HD1      LEU  32  -1.508  -6.764  -5.998
  241   2HD1  LEU  32          2HD1      LEU  32  -0.122  -6.691  -4.908
  242   3HD1  LEU  32          3HD1      LEU  32   0.115  -7.080  -6.611
  243   1HD2  LEU  32          1HD2      LEU  32  -2.214  -4.464  -5.430
  244   2HD2  LEU  32          2HD2      LEU  32  -1.087  -3.119  -5.587
  245   3HD2  LEU  32          3HD2      LEU  32  -0.879  -4.293  -4.287
  246    H    GLN  33           H        GLN  33   2.534  -2.881  -8.121
  247    HA   GLN  33           HA       GLN  33   5.347  -2.664  -7.217
  248   1HB   GLN  33          2HB       GLN  33   5.206  -3.289  -9.629
  249   2HB   GLN  33          1HB       GLN  33   4.262  -1.838  -9.930
  250   1HG   GLN  33          2HG       GLN  33   6.552  -1.498 -10.608
  251   2HG   GLN  33          1HG       GLN  33   6.174  -0.463  -9.230
  252   1HE2  GLN  33          1HE2      GLN  33   8.344  -0.269  -8.685
  253   2HE2  GLN  33          2HE2      GLN  33   9.236  -1.560  -7.972
  254    H    ILE  34           H        ILE  34   5.435  -0.996  -5.834
  255    HA   ILE  34           HA       ILE  34   3.468   1.060  -5.706
  256    HB   ILE  34           HB       ILE  34   6.176   0.875  -4.365
  257   1HG1  ILE  34          2HG1      ILE  34   3.376   0.268  -3.365
  258   2HG1  ILE  34          1HG1      ILE  34   4.617  -0.923  -3.740
  259   1HG2  ILE  34          1HG2      ILE  34   5.401   2.620  -2.856
  260   2HG2  ILE  34          2HG2      ILE  34   3.885   2.745  -3.747
  261   3HG2  ILE  34          3HG2      ILE  34   5.401   3.205  -4.519
  262   1HD1  ILE  34          1HD1      ILE  34   6.005   0.009  -1.926
  263   2HD1  ILE  34          2HD1      ILE  34   4.456  -0.618  -1.361
  264   3HD1  ILE  34          3HD1      ILE  34   4.693   1.121  -1.528
  265    HA   PRO  35           HA       PRO  35   5.394   3.678  -8.818
  266   1HB   PRO  35          2HB       PRO  35   3.421   5.457  -9.077
  267   2HB   PRO  35          1HB       PRO  35   3.199   3.780  -9.600
  268   1HG   PRO  35          2HG       PRO  35   2.325   5.088  -7.038
  269   2HG   PRO  35          1HG       PRO  35   1.383   4.054  -8.127
  270   1HD   PRO  35          2HD       PRO  35   2.609   3.126  -5.858
  271   2HD   PRO  35          1HD       PRO  35   2.320   2.111  -7.287
  272    H    GLU  36           H        GLU  36   6.931   5.185  -8.495
  273    HA   GLU  36           HA       GLU  36   7.296   6.711  -6.175
  274   1HB   GLU  36          2HB       GLU  36   8.380   6.920  -8.971
  275   2HB   GLU  36          1HB       GLU  36   8.785   8.139  -7.772
  276   1HG   GLU  36          2HG       GLU  36   9.285   5.184  -7.444
  277   2HG   GLU  36          1HG       GLU  36  10.482   6.346  -8.013
  278    H    ASP  37           H        ASP  37   5.155   7.260  -8.805
  279    HA   ASP  37           HA       ASP  37   4.992  10.091  -8.712
  280   1HB   ASP  37          2HB       ASP  37   2.745   8.232  -9.506
  281   2HB   ASP  37          1HB       ASP  37   3.063   9.865 -10.089
  282    H    THR  38           H        THR  38   3.348   7.535  -6.924
  283    HA   THR  38           HA       THR  38   1.751   9.538  -5.444
  284    HB   THR  38           HB       THR  38   0.245   7.736  -4.819
  285    HG1  THR  38           HG1      THR  38   0.644   5.599  -5.496
  286   1HG2  THR  38          1HG2      THR  38  -0.620   7.060  -7.014
  287   2HG2  THR  38          2HG2      THR  38   0.886   7.574  -7.772
  288   3HG2  THR  38          3HG2      THR  38  -0.169   8.766  -7.010
  289    H    GLY  39           H        GLY  39   3.651   6.550  -4.962
  290   1HA   GLY  39          2HA       GLY  39   5.178   6.268  -3.123
  291   2HA   GLY  39          1HA       GLY  39   4.222   7.411  -2.193
  292    H    TRP  40           H        TRP  40   2.093   5.454  -3.780
  293    HA   TRP  40           HA       TRP  40   2.103   3.200  -1.951
  294   1HB   TRP  40          2HB       TRP  40  -0.224   3.671  -1.144
  295   2HB   TRP  40          1HB       TRP  40   0.975   4.817  -0.555
  296    HD1  TRP  40           HD       TRP  40   0.702   7.344  -1.249
  297    HE1  TRP  40           HE1      TRP  40  -1.164   8.665  -2.437
  298    HE3  TRP  40           HE3      TRP  40  -2.060   3.427  -3.045
  299    HZ2  TRP  40           HZ2      TRP  40  -3.487   8.124  -3.933
  300    HZ3  TRP  40           HZ3      TRP  40  -4.091   3.918  -4.350
  301    HH2  TRP  40           HH       TRP  40  -4.788   6.218  -4.780
  302    H    VAL  41           H        VAL  41   0.441   1.569  -2.513
  303    HA   VAL  41           HA       VAL  41  -0.992   2.013  -5.033
  304    HB   VAL  41           HB       VAL  41   1.149   0.990  -5.713
  305   1HG1  VAL  41          1HG1      VAL  41   1.726  -1.293  -5.071
  306   2HG1  VAL  41          2HG1      VAL  41   0.328  -1.361  -3.997
  307   3HG1  VAL  41          3HG1      VAL  41   1.649  -0.244  -3.655
  308   1HG2  VAL  41          1HG2      VAL  41  -1.224  -0.862  -6.009
  309   2HG2  VAL  41          2HG2      VAL  41   0.219  -0.873  -7.023
  310   3HG2  VAL  41          3HG2      VAL  41  -0.852   0.529  -7.031
  311    H    GLU  42           H        GLU  42  -3.023   1.230  -4.914
  312    HA   GLU  42           HA       GLU  42  -3.686  -0.491  -2.628
  313   1HB   GLU  42          2HB       GLU  42  -6.063   0.277  -3.111
  314   2HB   GLU  42          1HB       GLU  42  -4.945   1.496  -2.528
  315   1HG   GLU  42          2HG       GLU  42  -5.997   2.652  -4.192
  316   2HG   GLU  42          1HG       GLU  42  -4.614   2.010  -5.072
  317    H    CYS  43           H        CYS  43  -4.923  -2.357  -2.825
  318    HA   CYS  43           HA       CYS  43  -4.899  -3.539  -5.519
  319   1HB   CYS  43          2HB       CYS  43  -3.641  -4.801  -3.871
  320   2HB   CYS  43          1HB       CYS  43  -5.044  -4.870  -2.810
  321    HG   CYS  43           HG       CYS  43  -4.725  -7.392  -3.926
  322    HA   PRO  44           HA       PRO  44  -9.389  -3.122  -5.511
  323   1HB   PRO  44          2HB       PRO  44  -9.767  -4.408  -7.902
  324   2HB   PRO  44          1HB       PRO  44  -9.268  -2.718  -7.766
  325   1HG   PRO  44          2HG       PRO  44  -7.585  -5.154  -8.248
  326   2HG   PRO  44          1HG       PRO  44  -7.512  -3.568  -9.043
  327   1HD   PRO  44          2HD       PRO  44  -5.783  -4.258  -7.101
  328   2HD   PRO  44          1HD       PRO  44  -6.375  -2.592  -7.272
  329    H    TYR  45           H        TYR  45  -7.500  -5.989  -5.415
  330    HA   TYR  45           HA       TYR  45  -9.730  -7.837  -5.324
  331   1HB   TYR  45          2HB       TYR  45  -6.783  -8.241  -4.723
  332   2HB   TYR  45          1HB       TYR  45  -7.983  -9.528  -4.783
  333    HD1  TYR  45           HD2      TYR  45  -6.019  -7.147  -6.778
  334    HD2  TYR  45           HD1      TYR  45  -8.879 -10.301  -6.902
  335    HE1  TYR  45           HE2      TYR  45  -5.638  -7.390  -9.192
  336    HE2  TYR  45           HE1      TYR  45  -8.502 -10.553  -9.316
  337    HH   TYR  45           HH       TYR  45  -7.679  -9.249 -11.202
  338    H    CYS  46           H        CYS  46  -8.840  -5.585  -3.213
  339    HA   CYS  46           HA       CYS  46  -9.663  -5.145  -1.142
  340   1HB   CYS  46          2HB       CYS  46 -10.379  -8.078  -1.030
  341   2HB   CYS  46          1HB       CYS  46 -10.736  -6.921   0.247
  342    HG   CYS  46           HG       CYS  46 -12.942  -6.064  -0.734
  343    H    ASP  47           H        ASP  47  -6.902  -5.961  -1.821
  344    HA   ASP  47           HA       ASP  47  -5.951  -6.773   0.817
  345   1HB   ASP  47          2HB       ASP  47  -4.432  -6.113  -1.716
  346   2HB   ASP  47          1HB       ASP  47  -3.676  -6.599  -0.201
  347    H    CYS  48           H        CYS  48  -7.143  -4.032  -0.351
  348    HA   CYS  48           HA       CYS  48  -7.203  -1.911   0.417
  349   1HB   CYS  48          2HB       CYS  48  -5.370  -2.981   2.575
  350   2HB   CYS  48          1HB       CYS  48  -6.152  -1.403   2.620
  351    HG   CYS  48           HG       CYS  48  -7.373  -3.450   4.296
  352    H    LYS  49           H        LYS  49  -5.139  -0.311   1.637
  353    HA   LYS  49           HA       LYS  49  -3.655   0.269  -0.816
  354   1HB   LYS  49          2HB       LYS  49  -5.001   2.057   0.188
  355   2HB   LYS  49          1HB       LYS  49  -4.084   1.924   1.681
  356   1HG   LYS  49          2HG       LYS  49  -2.048   2.614   0.472
  357   2HG   LYS  49          1HG       LYS  49  -3.000   2.796  -0.998
  358   1HD   LYS  49          2HD       LYS  49  -3.570   4.311   1.558
  359   2HD   LYS  49          1HD       LYS  49  -2.534   4.929   0.272
  360   1HE   LYS  49          2HE       LYS  49  -4.685   5.892  -0.045
  361   2HE   LYS  49          1HE       LYS  49  -4.482   4.671  -1.295
  362   1HZ   LYS  49          1HZ       LYS  49  -5.876   3.175  -0.046
  363   2HZ   LYS  49          2HZ       LYS  49  -6.688   4.636  -0.273
  364   3HZ   LYS  49          3HZ       LYS  49  -5.999   4.282   1.227
  365    H    TYR  50           H        TYR  50  -1.525  -0.124  -1.017
  366    HA   TYR  50           HA       TYR  50   0.050  -0.809   1.359
  367   1HB   TYR  50          2HB       TYR  50   0.575  -1.194  -1.597
  368   2HB   TYR  50          1HB       TYR  50   1.774  -1.535  -0.355
  369    HD1  TYR  50           HD2      TYR  50   1.246  -3.288   1.390
  370    HD2  TYR  50           HD1      TYR  50  -1.105  -2.790  -2.131
  371    HE1  TYR  50           HE2      TYR  50   0.330  -5.551   1.685
  372    HE2  TYR  50           HE1      TYR  50  -2.026  -5.049  -1.837
  373    HH   TYR  50           HH       TYR  50  -1.887  -6.751   0.952
  374    H    VAL  51           H        VAL  51   0.887   0.954   2.317
  375    HA   VAL  51           HA       VAL  51   1.817   3.227   0.726
  376    HB   VAL  51           HB       VAL  51   1.651   2.877   3.730
  377   1HG1  VAL  51          1HG1      VAL  51   3.392   4.483   3.125
  378   2HG1  VAL  51          2HG1      VAL  51   2.010   5.297   3.860
  379   3HG1  VAL  51          3HG1      VAL  51   2.240   5.360   2.113
  380   1HG2  VAL  51          1HG2      VAL  51  -0.283   4.382   3.590
  381   2HG2  VAL  51          2HG2      VAL  51  -0.549   2.900   2.670
  382   3HG2  VAL  51          3HG2      VAL  51  -0.142   4.398   1.831
  383    H    LEU  52           H        LEU  52   3.928   3.697   0.344
  384    HA   LEU  52           HA       LEU  52   5.938   1.800   1.211
  385   1HB   LEU  52          2HB       LEU  52   5.858   2.595  -1.115
  386   2HB   LEU  52          1HB       LEU  52   6.186   4.226  -0.573
  387    HG   LEU  52           HG       LEU  52   8.405   3.491   0.254
  388   1HD1  LEU  52          1HD1      LEU  52   7.897   1.157   0.718
  389   2HD1  LEU  52          2HD1      LEU  52   9.268   1.292  -0.379
  390   3HD1  LEU  52          3HD1      LEU  52   7.679   0.844  -1.005
  391   1HD2  LEU  52          1HD2      LEU  52   8.195   4.436  -1.990
  392   2HD2  LEU  52          2HD2      LEU  52   7.876   2.830  -2.650
  393   3HD2  LEU  52          3HD2      LEU  52   9.449   3.195  -1.940
  394    H    LYS  53           H        LYS  53   6.830   2.040   3.137
  395    HA   LYS  53           HA       LYS  53   6.999   4.351   4.687
  396   1HB   LYS  53          2HB       LYS  53   7.247   2.357   5.860
  397   2HB   LYS  53          1HB       LYS  53   8.382   1.688   4.705
  398   1HG   LYS  53          2HG       LYS  53   9.206   4.031   6.380
  399   2HG   LYS  53          1HG       LYS  53   9.173   2.415   7.092
  400   1HD   LYS  53          2HD       LYS  53  10.641   1.620   5.250
  401   2HD   LYS  53          1HD       LYS  53  10.728   3.271   4.642
  402   1HE   LYS  53          2HE       LYS  53  11.762   3.979   6.760
  403   2HE   LYS  53          1HE       LYS  53  11.698   2.311   7.336
  404   1HZ   LYS  53          1HZ       LYS  53  13.865   2.741   6.471
  405   2HZ   LYS  53          2HZ       LYS  53  13.243   3.341   5.018
  406   3HZ   LYS  53          3HZ       LYS  53  13.082   1.698   5.392
  407    H    GLY  54           H        GLY  54   8.501   5.959   4.941
  408   1HA   GLY  54          2HA       GLY  54  10.304   7.322   4.482
  409   2HA   GLY  54          1HA       GLY  54  11.143   5.902   3.878
  410    H    SER  55           H        SER  55   8.163   7.448   2.735
  411    HA   SER  55           HA       SER  55   9.458   8.198   0.210
  412   1HB   SER  55          2HB       SER  55   8.632   5.892  -0.137
  413   2HB   SER  55          1HB       SER  55   7.012   6.404   0.330
  414    HG   SER  55           HG       SER  55   8.346   6.717  -2.053
  415    H    LYS  56           H        LYS  56   7.238   8.890  -1.257
  416    HA   LYS  56           HA       LYS  56   6.622  11.438  -0.252
  417   1HB   LYS  56          2HB       LYS  56   5.206   9.843  -2.401
  418   2HB   LYS  56          1HB       LYS  56   5.032  11.574  -2.137
  419   1HG   LYS  56          2HG       LYS  56   7.424  11.872  -2.606
  420   2HG   LYS  56          1HG       LYS  56   7.565  10.144  -2.920
  421   1HD   LYS  56          2HD       LYS  56   6.043  10.313  -4.796
  422   2HD   LYS  56          1HD       LYS  56   5.747  12.016  -4.441
  423   1HE   LYS  56          2HE       LYS  56   8.407  10.828  -5.236
  424   2HE   LYS  56          1HE       LYS  56   7.324  11.718  -6.305
  425   1HZ   LYS  56          1HZ       LYS  56   7.590  13.663  -4.903
  426   2HZ   LYS  56          2HZ       LYS  56   9.090  13.128  -5.455
  427   3HZ   LYS  56          3HZ       LYS  56   8.615  12.810  -3.863
  428    H    ALA  57           H        ALA  57   5.012   8.395   0.194
  429    HA   ALA  57           HA       ALA  57   2.583   9.653   1.239
  430   1HB   ALA  57          1HB       ALA  57   2.341   7.758  -0.277
  431   2HB   ALA  57          2HB       ALA  57   1.663   7.397   1.313
  432   3HB   ALA  57          3HB       ALA  57   3.231   6.735   0.851
  433    H    ASP  58           H        ASP  58   5.541   8.465   2.476
  434    HA   ASP  58           HA       ASP  58   4.483   8.547   5.211
  435   1HB   ASP  58          2HB       ASP  58   4.437   6.185   4.626
  436   2HB   ASP  58          1HB       ASP  58   6.109   6.254   4.080
  437    H    ALA  59           H        ALA  59   5.647  10.064   6.208
  438    HA   ALA  59           HA       ALA  59   8.586   9.981   5.993
  439   1HB   ALA  59          1HB       ALA  59   6.922  12.508   6.010
  440   2HB   ALA  59          2HB       ALA  59   7.791  11.853   4.623
  441   3HB   ALA  59          3HB       ALA  59   8.685  12.425   6.029
  442    H    LEU  60           H        LEU  60   5.990  11.641   7.806
  443    HA   LEU  60           HA       LEU  60   7.240  10.702  10.318
  444   1HB   LEU  60          2HB       LEU  60   5.748  13.290   9.835
  445   2HB   LEU  60          1HB       LEU  60   6.308  12.731  11.402
  446    HG   LEU  60           HG       LEU  60   8.079  13.436   9.052
  447   1HD1  LEU  60          1HD1      LEU  60   8.793  15.332  10.473
  448   2HD1  LEU  60          2HD1      LEU  60   7.533  14.907  11.633
  449   3HD1  LEU  60          3HD1      LEU  60   7.094  15.426  10.007
  450   1HD2  LEU  60          1HD2      LEU  60   9.938  13.169  10.634
  451   2HD2  LEU  60          2HD2      LEU  60   9.057  11.658  10.411
  452   3HD2  LEU  60          3HD2      LEU  60   8.808  12.617  11.872
  453    H    GLU  61           H        GLU  61   4.080  12.176   9.436
  454    HA   GLU  61           HA       GLU  61   1.927  11.474   9.766
  455   1HB   GLU  61          2HB       GLU  61   3.185   8.750   9.325
  456   2HB   GLU  61          1HB       GLU  61   1.475   9.131   9.155
  457   1HG   GLU  61          2HG       GLU  61   3.679  10.331   7.486
  458   2HG   GLU  61          1HG       GLU  61   2.681   8.962   7.001
  459    H    HIS  62           H        HIS  62   1.119   8.832  10.894
  460    HA   HIS  62           HA       HIS  62   1.701   9.296  13.730
  461   1HB   HIS  62          2HB       HIS  62  -0.208   7.340  12.417
  462   2HB   HIS  62          1HB       HIS  62  -0.054   7.611  14.149
  463    HD1  HIS  62           HD1      HIS  62  -0.132  10.619  14.360
  464    HD2  HIS  62           HD2      HIS  62  -2.581   8.486  11.764
  465    HE1  HIS  62           HE1      HIS  62  -2.087  12.116  13.896
  466    HE2  HIS  62           HE2      HIS  62  -3.658  10.712  12.531
  467    H    HIS  63           H        HIS  63   3.538   8.100  11.593
  468    HA   HIS  63           HA       HIS  63   3.964   5.356  12.108
  469   1HB   HIS  63          2HB       HIS  63   4.762   6.752  10.119
  470   2HB   HIS  63          1HB       HIS  63   6.044   7.348  11.162
  471    HD1  HIS  63           HD1      HIS  63   5.838   5.224   8.522
  472    HD2  HIS  63           HD2      HIS  63   7.224   4.618  12.400
  473    HE1  HIS  63           HE1      HIS  63   7.399   3.260   8.386
  474    HE2  HIS  63           HE2      HIS  63   8.305   2.978  10.715
  475    H    HIS  64           H        HIS  64   4.245   4.777  14.221
  476    HA   HIS  64           HA       HIS  64   6.178   6.293  15.857
  477   1HB   HIS  64          2HB       HIS  64   5.007   5.209  17.809
  478   2HB   HIS  64          1HB       HIS  64   4.009   6.309  16.864
  479    HD1  HIS  64           HD1      HIS  64   2.160   5.216  15.350
  480    HD2  HIS  64           HD2      HIS  64   4.109   2.576  17.902
  481    HE1  HIS  64           HE1      HIS  64   0.744   3.151  15.385
  482    HE2  HIS  64           HE2      HIS  64   2.011   1.514  16.814
  483    H    HIS  65           H        HIS  65   8.044   5.377  16.456
  484    HA   HIS  65           HA       HIS  65   8.645   2.647  15.682
  485   1HB   HIS  65          2HB       HIS  65  10.936   3.155  16.368
  486   2HB   HIS  65          1HB       HIS  65  10.310   4.456  15.363
  487    HD1  HIS  65           HD1      HIS  65  10.845   3.678  19.050
  488    HD2  HIS  65           HD2      HIS  65  10.594   6.943  16.480
  489    HE1  HIS  65           HE1      HIS  65  11.394   5.685  20.453
  490    HE2  HIS  65           HE2      HIS  65  11.096   7.652  18.920
  491    H    HIS  66           H        HIS  66   6.677   2.972  17.809
  492    HA   HIS  66           HA       HIS  66   6.060   2.137  19.810
  493   1HB   HIS  66          2HB       HIS  66   6.993   0.023  19.229
  494   2HB   HIS  66          1HB       HIS  66   8.634   0.586  19.513
  495    HD1  HIS  66           HD1      HIS  66   9.529  -0.460  21.560
  496    HD2  HIS  66           HD2      HIS  66   5.482   0.388  21.933
  497    HE1  HIS  66           HE1      HIS  66   8.916  -1.132  23.896
  498    HE2  HIS  66           HE2      HIS  66   6.526  -0.400  24.159
  499    H    HIS  67           H        HIS  67   5.940   3.263  21.612
  500    HA   HIS  67           HA       HIS  67   8.209   4.807  22.563
  501   1HB   HIS  67          2HB       HIS  67   6.529   5.593  24.315
  502   2HB   HIS  67          1HB       HIS  67   6.181   6.007  22.644
  503    HD1  HIS  67           HD1      HIS  67   5.185   3.318  25.148
  504    HD2  HIS  67           HD2      HIS  67   3.637   5.405  21.910
  505    HE1  HIS  67           HE1      HIS  67   2.799   2.582  24.953
  506    HE2  HIS  67           HE2      HIS  67   1.830   4.042  23.162
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -18.391   5.297  15.950
    2   2H    MET   1          2H        MET   1 -18.003   4.009  16.977
    3   3H    MET   1          3H        MET   1 -19.370   4.955  17.287
    4    HA   MET   1           HA       MET   1 -19.965   2.811  16.337
    5   1HB   MET   1          2HB       MET   1 -20.500   5.256  14.637
    6   2HB   MET   1          1HB       MET   1 -21.347   3.728  14.432
    7   1HG   MET   1          2HG       MET   1 -21.366   5.462  16.898
    8   2HG   MET   1          1HG       MET   1 -22.682   5.265  15.740
    9   1HE   MET   1          1HE       MET   1 -23.110   4.868  18.874
   10   2HE   MET   1          2HE       MET   1 -24.093   3.403  18.879
   11   3HE   MET   1          3HE       MET   1 -24.385   4.655  17.672
   12    H    THR   2           H        THR   2 -17.080   3.712  15.251
   13    HA   THR   2           HA       THR   2 -17.241   2.520  12.570
   14    HB   THR   2           HB       THR   2 -14.861   3.199  12.353
   15    HG1  THR   2           HG1      THR   2 -14.163   4.714  14.121
   16   1HG2  THR   2          1HG2      THR   2 -16.626   4.743  11.642
   17   2HG2  THR   2          2HG2      THR   2 -15.242   5.622  12.288
   18   3HG2  THR   2          3HG2      THR   2 -16.697   5.424  13.264
   19    H    ILE   3           H        ILE   3 -16.468   0.513  12.076
   20    HA   ILE   3           HA       ILE   3 -15.342  -1.167  14.143
   21    HB   ILE   3           HB       ILE   3 -15.326  -2.967  12.584
   22   1HG1  ILE   3          2HG1      ILE   3 -14.351  -1.739  10.633
   23   2HG1  ILE   3          1HG1      ILE   3 -15.697  -2.783  10.194
   24   1HG2  ILE   3          1HG2      ILE   3 -17.512  -2.387  13.440
   25   2HG2  ILE   3          2HG2      ILE   3 -17.656  -2.993  11.790
   26   3HG2  ILE   3          3HG2      ILE   3 -17.769  -1.261  12.105
   27   1HD1  ILE   3          1HD1      ILE   3 -15.724   0.214  10.450
   28   2HD1  ILE   3          2HD1      ILE   3 -17.160  -0.772  10.178
   29   3HD1  ILE   3          3HD1      ILE   3 -15.870  -0.742   8.978
   30    H    GLN   4           H        GLN   4 -14.130   0.928  11.723
   31    HA   GLN   4           HA       GLN   4 -12.075   1.664  11.170
   32   1HB   GLN   4          2HB       GLN   4 -11.194   0.103  13.603
   33   2HB   GLN   4          1HB       GLN   4 -10.162   1.201  12.697
   34   1HG   GLN   4          2HG       GLN   4 -11.756   3.038  13.204
   35   2HG   GLN   4          1HG       GLN   4 -12.658   1.919  14.226
   36   1HE2  GLN   4          1HE2      GLN   4 -10.216   0.604  15.190
   37   2HE2  GLN   4          2HE2      GLN   4  -9.500   1.707  16.306
   38    H    ALA   5           H        ALA   5 -11.698   0.800   9.210
   39    HA   ALA   5           HA       ALA   5 -10.295  -1.797   9.078
   40   1HB   ALA   5          1HB       ALA   5 -12.389  -1.739   7.813
   41   2HB   ALA   5          2HB       ALA   5 -11.001  -1.920   6.738
   42   3HB   ALA   5          3HB       ALA   5 -11.803  -0.356   6.894
   43    HA   PRO   6           HA       PRO   6  -6.915   1.195   8.260
   44   1HB   PRO   6          2HB       PRO   6  -5.219  -1.113   8.977
   45   2HB   PRO   6          1HB       PRO   6  -5.269   0.506   9.677
   46   1HG   PRO   6          2HG       PRO   6  -6.208  -1.638  11.004
   47   2HG   PRO   6          1HG       PRO   6  -6.958  -0.037  11.154
   48   1HD   PRO   6          2HD       PRO   6  -7.845  -2.396   9.519
   49   2HD   PRO   6          1HD       PRO   6  -8.813  -1.282  10.507
   50    H    GLU   7           H        GLU   7  -7.494   1.056   6.000
   51    HA   GLU   7           HA       GLU   7  -6.511  -1.036   4.345
   52   1HB   GLU   7          2HB       GLU   7  -7.151   0.379   2.460
   53   2HB   GLU   7          1HB       GLU   7  -8.423   0.366   3.675
   54   1HG   GLU   7          2HG       GLU   7  -7.585   2.533   4.528
   55   2HG   GLU   7          1HG       GLU   7  -6.385   2.549   3.239
   56    H    THR   8           H        THR   8  -5.159   1.707   5.679
   57    HA   THR   8           HA       THR   8  -2.997   2.045   3.762
   58    HB   THR   8           HB       THR   8  -3.387   3.404   6.450
   59    HG1  THR   8           HG1      THR   8  -5.065   4.102   5.264
   60   1HG2  THR   8          1HG2      THR   8  -1.658   4.163   4.088
   61   2HG2  THR   8          2HG2      THR   8  -1.081   3.542   5.634
   62   3HG2  THR   8          3HG2      THR   8  -1.872   5.114   5.558
   63    H    LYS   9           H        LYS   9  -1.432   0.495   3.802
   64    HA   LYS   9           HA       LYS   9  -0.482  -0.448   6.444
   65   1HB   LYS   9          2HB       LYS   9  -0.668  -2.048   3.877
   66   2HB   LYS   9          1HB       LYS   9  -0.120  -2.652   5.441
   67   1HG   LYS   9          2HG       LYS   9  -2.317  -2.332   6.392
   68   2HG   LYS   9          1HG       LYS   9  -2.881  -1.563   4.912
   69   1HD   LYS   9          2HD       LYS   9  -2.434  -3.726   3.715
   70   2HD   LYS   9          1HD       LYS   9  -2.080  -4.453   5.287
   71   1HE   LYS   9          2HE       LYS   9  -4.701  -3.228   4.409
   72   2HE   LYS   9          1HE       LYS   9  -4.369  -4.941   4.645
   73   1HZ   LYS   9          1HZ       LYS   9  -3.926  -4.421   7.012
   74   2HZ   LYS   9          2HZ       LYS   9  -5.522  -4.122   6.544
   75   3HZ   LYS   9          3HZ       LYS   9  -4.448  -2.836   6.741
   76    H    ILE  10           H        ILE  10   1.578  -0.085   6.849
   77    HA   ILE  10           HA       ILE  10   3.222   1.207   4.847
   78    HB   ILE  10           HB       ILE  10   3.776   0.629   7.766
   79   1HG1  ILE  10          2HG1      ILE  10   1.864   2.152   7.425
   80   2HG1  ILE  10          1HG1      ILE  10   3.238   2.998   8.133
   81   1HG2  ILE  10          1HG2      ILE  10   5.852   0.897   6.550
   82   2HG2  ILE  10          2HG2      ILE  10   5.560   2.316   7.557
   83   3HG2  ILE  10          3HG2      ILE  10   5.264   2.391   5.818
   84   1HD1  ILE  10          1HD1      ILE  10   2.164   4.360   6.452
   85   2HD1  ILE  10          2HD1      ILE  10   2.380   3.091   5.243
   86   3HD1  ILE  10          3HD1      ILE  10   3.787   3.914   5.923
   87    H    VAL  11           H        VAL  11   4.655   0.193   3.591
   88    HA   VAL  11           HA       VAL  11   6.053  -2.206   4.604
   89    HB   VAL  11           HB       VAL  11   6.024  -3.169   2.323
   90   1HG1  VAL  11          1HG1      VAL  11   4.342  -3.892   3.932
   91   2HG1  VAL  11          2HG1      VAL  11   3.676  -3.879   2.298
   92   3HG1  VAL  11          3HG1      VAL  11   3.272  -2.583   3.425
   93   1HG2  VAL  11          1HG2      VAL  11   5.778  -1.118   1.027
   94   2HG2  VAL  11          2HG2      VAL  11   4.152  -0.889   1.670
   95   3HG2  VAL  11          3HG2      VAL  11   4.496  -2.262   0.620
   96    H    ASP  12           H        ASP  12   8.229  -2.480   3.875
   97    HA   ASP  12           HA       ASP  12   9.517   0.014   3.069
   98   1HB   ASP  12          2HB       ASP  12  11.610  -1.060   3.690
   99   2HB   ASP  12          1HB       ASP  12  10.425  -1.281   4.974
  100    H    LYS  13           H        LYS  13   8.486  -2.868   1.565
  101    HA   LYS  13           HA       LYS  13  10.435  -2.654  -0.617
  102   1HB   LYS  13          2HB       LYS  13   8.309  -4.737  -0.066
  103   2HB   LYS  13          1HB       LYS  13   9.423  -4.779  -1.428
  104   1HG   LYS  13          2HG       LYS  13  11.316  -4.921   0.134
  105   2HG   LYS  13          1HG       LYS  13  10.185  -4.902   1.488
  106   1HD   LYS  13          2HD       LYS  13   9.169  -6.988   0.652
  107   2HD   LYS  13          1HD       LYS  13  10.329  -7.009  -0.678
  108   1HE   LYS  13          2HE       LYS  13  12.170  -7.141   0.966
  109   2HE   LYS  13          1HE       LYS  13  10.985  -7.187   2.268
  110   1HZ   LYS  13          1HZ       LYS  13  11.242  -9.199   0.102
  111   2HZ   LYS  13          2HZ       LYS  13  10.129  -9.253   1.373
  112   3HZ   LYS  13          3HZ       LYS  13  11.779  -9.393   1.691
  113    H    SER  14           H        SER  14   9.891  -2.186  -2.726
  114    HA   SER  14           HA       SER  14   7.461  -0.664  -3.123
  115   1HB   SER  14          2HB       SER  14   9.607  -1.359  -5.148
  116   2HB   SER  14          1HB       SER  14   8.368  -0.114  -5.313
  117    HG   SER  14           HG       SER  14  10.070   1.006  -4.606
  118    H    ARG  15           H        ARG  15   8.529  -3.892  -3.824
  119    HA   ARG  15           HA       ARG  15   6.030  -4.328  -5.332
  120   1HB   ARG  15          2HB       ARG  15   7.143  -6.314  -6.346
  121   2HB   ARG  15          1HB       ARG  15   7.869  -4.774  -6.785
  122   1HG   ARG  15          2HG       ARG  15   9.569  -5.207  -4.957
  123   2HG   ARG  15          1HG       ARG  15   8.935  -6.854  -4.895
  124   1HD   ARG  15          2HD       ARG  15  10.924  -6.661  -6.344
  125   2HD   ARG  15          1HD       ARG  15   9.494  -7.196  -7.231
  126    HE   ARG  15           HE       ARG  15   9.777  -4.371  -7.362
  127   1HH1  ARG  15          1HH1      ARG  15  11.122  -7.268  -8.665
  128   2HH1  ARG  15          2HH1      ARG  15  11.575  -6.504 -10.146
  129   1HH2  ARG  15          1HH2      ARG  15  10.367  -3.417  -9.252
  130   2HH2  ARG  15          2HH2      ARG  15  11.171  -4.345 -10.472
  131    H    VAL  16           H        VAL  16   4.538  -5.440  -4.339
  132    HA   VAL  16           HA       VAL  16   5.276  -7.164  -2.049
  133    HB   VAL  16           HB       VAL  16   2.750  -5.516  -2.366
  134   1HG1  VAL  16          1HG1      VAL  16   3.739  -7.160  -0.029
  135   2HG1  VAL  16          2HG1      VAL  16   2.371  -7.550  -1.072
  136   3HG1  VAL  16          3HG1      VAL  16   2.307  -6.132  -0.026
  137   1HG2  VAL  16          1HG2      VAL  16   3.648  -4.105  -0.569
  138   2HG2  VAL  16          2HG2      VAL  16   4.701  -4.088  -1.982
  139   3HG2  VAL  16          3HG2      VAL  16   5.138  -5.049  -0.569
  140    H    ALA  17           H        ALA  17   4.276  -9.143  -1.838
  141    HA   ALA  17           HA       ALA  17   2.793 -10.127  -4.164
  142   1HB   ALA  17          1HB       ALA  17   4.719 -11.421  -3.389
  143   2HB   ALA  17          2HB       ALA  17   3.226 -12.353  -3.260
  144   3HB   ALA  17          3HB       ALA  17   3.945 -11.638  -1.818
  145    H    CYS  18           H        CYS  18   0.647  -9.826  -4.063
  146    HA   CYS  18           HA       CYS  18  -0.788  -9.961  -1.539
  147   1HB   CYS  18          2HB       CYS  18  -1.769  -9.494  -4.364
  148   2HB   CYS  18          1HB       CYS  18  -2.795  -9.463  -2.934
  149    HG   CYS  18           HG       CYS  18  -1.279  -7.311  -1.782
  150    H    ASP  19           H        ASP  19  -0.693 -12.095  -0.857
  151    HA   ASP  19           HA       ASP  19  -1.658 -14.221  -2.568
  152   1HB   ASP  19          2HB       ASP  19  -0.908 -14.198   0.371
  153   2HB   ASP  19          1HB       ASP  19  -1.380 -15.637  -0.528
  154    H    GLY  20           H        GLY  20  -2.743 -13.572   0.771
  155   1HA   GLY  20          2HA       GLY  20  -5.231 -12.554   0.420
  156   2HA   GLY  20          1HA       GLY  20  -5.462 -14.252   0.045
  157    H    GLY  21           H        GLY  21  -6.976 -13.526   1.993
  158   1HA   GLY  21          2HA       GLY  21  -5.705 -13.818   4.589
  159   2HA   GLY  21          1HA       GLY  21  -7.427 -13.662   4.278
  160    H    GLU  22           H        GLU  22  -8.684 -15.466   4.310
  161    HA   GLU  22           HA       GLU  22  -7.532 -18.035   4.900
  162   1HB   GLU  22          2HB       GLU  22 -10.376 -17.195   4.271
  163   2HB   GLU  22          1HB       GLU  22  -9.920 -18.837   4.699
  164   1HG   GLU  22          2HG       GLU  22 -10.836 -17.700   6.620
  165   2HG   GLU  22          1HG       GLU  22  -9.129 -18.044   6.888
  166    H    GLY  23           H        GLY  23  -8.158 -20.008   3.572
  167   1HA   GLY  23          2HA       GLY  23  -6.954 -20.095   1.135
  168   2HA   GLY  23          1HA       GLY  23  -8.238 -21.197   1.595
  169    H    ALA  24           H        ALA  24 -10.473 -19.660   1.559
  170    HA   ALA  24           HA       ALA  24 -11.126 -19.463  -1.173
  171   1HB   ALA  24          1HB       ALA  24 -13.244 -18.505  -0.418
  172   2HB   ALA  24          2HB       ALA  24 -12.564 -18.247   1.190
  173   3HB   ALA  24          3HB       ALA  24 -12.786 -19.887   0.576
  174    H    LEU  25           H        LEU  25  -9.961 -17.053   1.105
  175    HA   LEU  25           HA       LEU  25 -10.397 -14.852  -0.770
  176   1HB   LEU  25          2HB       LEU  25  -9.139 -14.871   1.982
  177   2HB   LEU  25          1HB       LEU  25  -9.491 -13.435   1.038
  178    HG   LEU  25           HG       LEU  25 -11.533 -15.368   2.158
  179   1HD1  LEU  25          1HD1      LEU  25 -10.483 -13.964   3.863
  180   2HD1  LEU  25          2HD1      LEU  25 -12.170 -13.524   3.612
  181   3HD1  LEU  25          3HD1      LEU  25 -10.886 -12.521   2.934
  182   1HD2  LEU  25          1HD2      LEU  25 -12.279 -14.455   0.032
  183   2HD2  LEU  25          2HD2      LEU  25 -11.925 -12.818   0.590
  184   3HD2  LEU  25          3HD2      LEU  25 -13.201 -13.758   1.364
  185    H    GLY  26           H        GLY  26  -8.141 -17.210  -0.503
  186   1HA   GLY  26          2HA       GLY  26  -5.720 -15.683  -0.829
  187   2HA   GLY  26          1HA       GLY  26  -5.893 -17.418  -1.011
  188    H    HIS  27           H        HIS  27  -4.274 -16.028  -2.709
  189    HA   HIS  27           HA       HIS  27  -5.667 -16.313  -5.282
  190   1HB   HIS  27          2HB       HIS  27  -3.922 -13.950  -4.515
  191   2HB   HIS  27          1HB       HIS  27  -4.533 -14.263  -6.138
  192    HD1  HIS  27           HD1      HIS  27  -5.622 -13.107  -2.746
  193    HD2  HIS  27           HD2      HIS  27  -7.243 -13.655  -6.530
  194    HE1  HIS  27           HE1      HIS  27  -7.849 -11.955  -2.692
  195    HE2  HIS  27           HE2      HIS  27  -8.912 -12.550  -4.896
  196    HA   PRO  28           HA       PRO  28  -2.097 -18.609  -6.428
  197   1HB   PRO  28          2HB       PRO  28  -1.858 -18.162  -9.091
  198   2HB   PRO  28          1HB       PRO  28  -3.205 -19.074  -8.397
  199   1HG   PRO  28          2HG       PRO  28  -3.107 -16.194  -9.239
  200   2HG   PRO  28          1HG       PRO  28  -4.358 -17.410  -9.565
  201   1HD   PRO  28          2HD       PRO  28  -4.605 -15.570  -7.591
  202   2HD   PRO  28          1HD       PRO  28  -5.290 -17.202  -7.458
  203    H    ARG  29           H        ARG  29  -1.484 -15.739  -5.545
  204    HA   ARG  29           HA       ARG  29   0.394 -14.677  -5.055
  205   1HB   ARG  29          2HB       ARG  29   1.676 -16.647  -5.004
  206   2HB   ARG  29          1HB       ARG  29   1.579 -16.866  -6.739
  207   1HG   ARG  29          2HG       ARG  29   3.016 -14.493  -5.634
  208   2HG   ARG  29          1HG       ARG  29   3.786 -16.077  -5.637
  209   1HD   ARG  29          2HD       ARG  29   2.959 -16.123  -8.124
  210   2HD   ARG  29          1HD       ARG  29   2.939 -14.377  -7.925
  211    HE   ARG  29           HE       ARG  29   5.414 -15.464  -7.059
  212   1HH1  ARG  29          1HH1      ARG  29   3.657 -14.733  -9.932
  213   2HH1  ARG  29          2HH1      ARG  29   5.085 -14.511 -10.877
  214   1HH2  ARG  29          1HH2      ARG  29   7.234 -15.178  -8.287
  215   2HH2  ARG  29          2HH2      ARG  29   7.082 -14.734  -9.947
  216    H    VAL  30           H        VAL  30  -0.175 -12.839  -5.783
  217    HA   VAL  30           HA       VAL  30   0.549 -12.039  -8.543
  218    HB   VAL  30           HB       VAL  30  -1.626 -10.839  -6.799
  219   1HG1  VAL  30          1HG1      VAL  30  -2.256  -9.571  -8.811
  220   2HG1  VAL  30          2HG1      VAL  30  -0.865 -10.242  -9.667
  221   3HG1  VAL  30          3HG1      VAL  30  -0.619  -9.181  -8.278
  222   1HG2  VAL  30          1HG2      VAL  30  -3.203 -11.819  -8.424
  223   2HG2  VAL  30          2HG2      VAL  30  -2.270 -13.052  -7.576
  224   3HG2  VAL  30          3HG2      VAL  30  -1.856 -12.620  -9.235
  225    H    TRP  31           H        TRP  31   2.011 -10.411  -8.747
  226    HA   TRP  31           HA       TRP  31   2.903  -9.063  -6.286
  227   1HB   TRP  31          2HB       TRP  31   4.321  -9.652  -8.885
  228   2HB   TRP  31          1HB       TRP  31   4.982  -8.554  -7.674
  229    HD1  TRP  31           HD       TRP  31   4.087 -12.276  -8.135
  230    HE1  TRP  31           HE1      TRP  31   5.435 -13.645  -6.422
  231    HE3  TRP  31           HE3      TRP  31   6.215  -8.434  -5.525
  232    HZ2  TRP  31           HZ2      TRP  31   7.176 -13.162  -4.260
  233    HZ3  TRP  31           HZ3      TRP  31   7.713  -8.971  -3.645
  234    HH2  TRP  31           HH       TRP  31   8.182 -11.288  -3.026
  235    H    LEU  32           H        LEU  32   2.469  -7.003  -5.990
  236    HA   LEU  32           HA       LEU  32   1.702  -5.305  -8.269
  237   1HB   LEU  32          2HB       LEU  32   1.208  -5.030  -5.298
  238   2HB   LEU  32          1HB       LEU  32   0.882  -3.740  -6.439
  239    HG   LEU  32           HG       LEU  32  -0.715  -5.282  -7.619
  240   1HD1  LEU  32          1HD1      LEU  32  -1.548  -7.238  -6.395
  241   2HD1  LEU  32          2HD1      LEU  32  -0.281  -7.018  -5.189
  242   3HD1  LEU  32          3HD1      LEU  32   0.146  -7.418  -6.851
  243   1HD2  LEU  32          1HD2      LEU  32  -1.293  -4.665  -4.721
  244   2HD2  LEU  32          2HD2      LEU  32  -2.498  -5.002  -5.964
  245   3HD2  LEU  32          3HD2      LEU  32  -1.491  -3.560  -6.085
  246    H    GLN  33           H        GLN  33   2.595  -3.207  -8.504
  247    HA   GLN  33           HA       GLN  33   5.219  -2.808  -7.175
  248   1HB   GLN  33          2HB       GLN  33   5.413  -3.506  -9.550
  249   2HB   GLN  33          1HB       GLN  33   4.442  -2.124 -10.031
  250   1HG   GLN  33          2HG       GLN  33   6.738  -1.627 -10.457
  251   2HG   GLN  33          1HG       GLN  33   6.204  -0.629  -9.105
  252   1HE2  GLN  33          1HE2      GLN  33   7.060  -1.006  -7.066
  253   2HE2  GLN  33          2HE2      GLN  33   8.437  -2.018  -6.812
  254    H    ILE  34           H        ILE  34   4.956  -1.188  -5.777
  255    HA   ILE  34           HA       ILE  34   3.025   0.834  -5.845
  256    HB   ILE  34           HB       ILE  34   5.722   0.868  -4.461
  257   1HG1  ILE  34          2HG1      ILE  34   3.003   0.018  -3.424
  258   2HG1  ILE  34          1HG1      ILE  34   4.321  -1.070  -3.840
  259   1HG2  ILE  34          1HG2      ILE  34   4.727   2.516  -2.936
  260   2HG2  ILE  34          2HG2      ILE  34   3.260   2.532  -3.914
  261   3HG2  ILE  34          3HG2      ILE  34   4.780   3.111  -4.595
  262   1HD1  ILE  34          1HD1      ILE  34   4.341   0.983  -1.637
  263   2HD1  ILE  34          2HD1      ILE  34   5.682  -0.087  -2.061
  264   3HD1  ILE  34          3HD1      ILE  34   4.173  -0.763  -1.448
  265    HA   PRO  35           HA       PRO  35   5.033   3.699  -8.716
  266   1HB   PRO  35          2HB       PRO  35   3.081   5.600  -8.684
  267   2HB   PRO  35          1HB       PRO  35   2.978   4.124  -9.642
  268   1HG   PRO  35          2HG       PRO  35   1.600   4.834  -7.118
  269   2HG   PRO  35          1HG       PRO  35   1.071   3.771  -8.429
  270   1HD   PRO  35          2HD       PRO  35   2.146   2.964  -5.958
  271   2HD   PRO  35          1HD       PRO  35   1.924   1.942  -7.388
  272    H    GLU  36           H        GLU  36   6.646   4.962  -8.076
  273    HA   GLU  36           HA       GLU  36   7.081   5.629  -5.406
  274   1HB   GLU  36          2HB       GLU  36   8.416   6.748  -7.882
  275   2HB   GLU  36          1HB       GLU  36   9.009   6.979  -6.246
  276   1HG   GLU  36          2HG       GLU  36  10.292   5.247  -7.245
  277   2HG   GLU  36          1HG       GLU  36   9.240   4.502  -6.045
  278    H    ASP  37           H        ASP  37   5.822   7.650  -8.029
  279    HA   ASP  37           HA       ASP  37   6.076  10.069  -6.472
  280   1HB   ASP  37          2HB       ASP  37   6.376   9.926  -8.972
  281   2HB   ASP  37          1HB       ASP  37   4.627   9.736  -9.101
  282    H    THR  38           H        THR  38   3.833   7.631  -6.330
  283    HA   THR  38           HA       THR  38   1.734   9.478  -5.355
  284    HB   THR  38           HB       THR  38   0.159   7.678  -5.414
  285    HG1  THR  38           HG1      THR  38   0.757   5.547  -5.702
  286   1HG2  THR  38          1HG2      THR  38   0.619   8.668  -7.611
  287   2HG2  THR  38          2HG2      THR  38   0.207   6.960  -7.763
  288   3HG2  THR  38          3HG2      THR  38   1.890   7.477  -7.890
  289    H    GLY  39           H        GLY  39   3.564   6.563  -4.495
  290   1HA   GLY  39          2HA       GLY  39   4.681   6.320  -2.399
  291   2HA   GLY  39          1HA       GLY  39   3.506   7.404  -1.671
  292    H    TRP  40           H        TRP  40   1.824   5.290  -3.622
  293    HA   TRP  40           HA       TRP  40   1.592   3.112  -1.732
  294   1HB   TRP  40          2HB       TRP  40  -0.799   3.531  -1.208
  295   2HB   TRP  40          1HB       TRP  40   0.258   4.789  -0.574
  296    HD1  TRP  40           HD       TRP  40   0.090   7.226  -1.707
  297    HE1  TRP  40           HE1      TRP  40  -1.757   8.332  -3.115
  298    HE3  TRP  40           HE3      TRP  40  -2.608   3.051  -2.968
  299    HZ2  TRP  40           HZ2      TRP  40  -4.050   7.550  -4.559
  300    HZ3  TRP  40           HZ3      TRP  40  -4.615   3.326  -4.363
  301    HH2  TRP  40           HH       TRP  40  -5.319   5.532  -5.141
  302    H    VAL  41           H        VAL  41   0.199   1.402  -2.445
  303    HA   VAL  41           HA       VAL  41  -0.969   1.690  -5.138
  304    HB   VAL  41           HB       VAL  41   1.213   0.507  -5.345
  305   1HG1  VAL  41          1HG1      VAL  41   1.477  -1.753  -4.461
  306   2HG1  VAL  41          2HG1      VAL  41  -0.082  -1.631  -3.647
  307   3HG1  VAL  41          3HG1      VAL  41   1.254  -0.588  -3.156
  308   1HG2  VAL  41          1HG2      VAL  41   0.383  -1.370  -6.687
  309   2HG2  VAL  41          2HG2      VAL  41  -0.585   0.079  -6.951
  310   3HG2  VAL  41          3HG2      VAL  41  -1.202  -1.219  -5.928
  311    H    GLU  42           H        GLU  42  -2.933   0.646  -5.423
  312    HA   GLU  42           HA       GLU  42  -4.056  -0.631  -3.013
  313   1HB   GLU  42          2HB       GLU  42  -5.158   1.454  -3.828
  314   2HB   GLU  42          1HB       GLU  42  -5.548   0.627  -5.329
  315   1HG   GLU  42          2HG       GLU  42  -6.997  -0.905  -4.196
  316   2HG   GLU  42          1HG       GLU  42  -6.474  -0.312  -2.619
  317    H    CYS  43           H        CYS  43  -4.756  -2.683  -3.061
  318    HA   CYS  43           HA       CYS  43  -4.167  -4.278  -5.421
  319   1HB   CYS  43          2HB       CYS  43  -3.423  -5.089  -3.244
  320   2HB   CYS  43          1HB       CYS  43  -5.082  -5.089  -2.652
  321    HG   CYS  43           HG       CYS  43  -3.446  -7.476  -4.142
  322    HA   PRO  44           HA       PRO  44  -8.514  -4.225  -6.620
  323   1HB   PRO  44          2HB       PRO  44  -8.280  -5.664  -8.890
  324   2HB   PRO  44          1HB       PRO  44  -7.701  -3.996  -8.777
  325   1HG   PRO  44          2HG       PRO  44  -6.145  -6.556  -8.551
  326   2HG   PRO  44          1HG       PRO  44  -5.749  -5.089  -9.466
  327   1HD   PRO  44          2HD       PRO  44  -4.674  -5.635  -7.028
  328   2HD   PRO  44          1HD       PRO  44  -4.967  -3.979  -7.598
  329    H    TYR  45           H        TYR  45  -6.628  -6.937  -5.730
  330    HA   TYR  45           HA       TYR  45  -8.882  -8.810  -5.943
  331   1HB   TYR  45          2HB       TYR  45  -5.991  -9.338  -5.214
  332   2HB   TYR  45          1HB       TYR  45  -7.232 -10.561  -5.473
  333    HD1  TYR  45           HD1      TYR  45  -8.412 -10.474  -7.833
  334    HD2  TYR  45           HD2      TYR  45  -4.595  -8.773  -6.994
  335    HE1  TYR  45           HE1      TYR  45  -7.856 -10.544 -10.228
  336    HE2  TYR  45           HE2      TYR  45  -4.035  -8.841  -9.389
  337    HH   TYR  45           HH       TYR  45  -6.297  -9.303 -11.801
  338    H    CYS  46           H        CYS  46  -6.720  -7.378  -3.514
  339    HA   CYS  46           HA       CYS  46  -8.418  -8.573  -1.405
  340   1HB   CYS  46          2HB       CYS  46  -6.094  -9.420  -1.398
  341   2HB   CYS  46          1HB       CYS  46  -5.502  -7.779  -1.188
  342    HG   CYS  46           HG       CYS  46  -7.411  -7.852   1.252
  343    H    ASP  47           H        ASP  47  -7.935  -5.727  -2.924
  344    HA   ASP  47           HA       ASP  47  -8.448  -3.562  -2.498
  345   1HB   ASP  47          2HB       ASP  47 -10.121  -4.915  -0.377
  346   2HB   ASP  47          1HB       ASP  47 -10.294  -3.221  -0.836
  347    H    CYS  48           H        CYS  48  -6.105  -4.685  -1.013
  348    HA   CYS  48           HA       CYS  48  -6.008  -2.954   1.350
  349   1HB   CYS  48          2HB       CYS  48  -4.024  -4.992   0.304
  350   2HB   CYS  48          1HB       CYS  48  -3.815  -4.052   1.779
  351    HG   CYS  48           HG       CYS  48  -6.665  -5.843   1.546
  352    H    LYS  49           H        LYS  49  -4.528  -1.265   1.600
  353    HA   LYS  49           HA       LYS  49  -3.342  -0.262  -0.913
  354   1HB   LYS  49          2HB       LYS  49  -5.206   1.077  -0.016
  355   2HB   LYS  49          1HB       LYS  49  -4.336   1.277   1.496
  356   1HG   LYS  49          2HG       LYS  49  -2.650   2.607   0.424
  357   2HG   LYS  49          1HG       LYS  49  -3.330   2.269  -1.170
  358   1HD   LYS  49          2HD       LYS  49  -4.759   3.742   1.054
  359   2HD   LYS  49          1HD       LYS  49  -3.961   4.510  -0.321
  360   1HE   LYS  49          2HE       LYS  49  -5.504   3.541  -1.865
  361   2HE   LYS  49          1HE       LYS  49  -6.172   2.475  -0.629
  362   1HZ   LYS  49          1HZ       LYS  49  -6.384   5.436  -0.574
  363   2HZ   LYS  49          2HZ       LYS  49  -7.134   4.344   0.478
  364   3HZ   LYS  49          3HZ       LYS  49  -7.590   4.403  -1.146
  365    H    TYR  50           H        TYR  50  -1.211  -0.662  -0.916
  366    HA   TYR  50           HA       TYR  50   0.280  -0.794   1.594
  367   1HB   TYR  50          2HB       TYR  50   1.222  -1.423  -1.217
  368   2HB   TYR  50          1HB       TYR  50   2.039  -1.838   0.288
  369    HD1  TYR  50           HD1      TYR  50   1.200  -3.664   1.703
  370    HD2  TYR  50           HD2      TYR  50  -0.705  -2.691  -1.981
  371    HE1  TYR  50           HE1      TYR  50  -0.007  -5.807   1.764
  372    HE2  TYR  50           HE2      TYR  50  -1.916  -4.826  -1.926
  373    HH   TYR  50           HH       TYR  50  -1.956  -6.862   0.856
  374    H    VAL  51           H        VAL  51   1.080   1.082   2.335
  375    HA   VAL  51           HA       VAL  51   2.038   3.129   0.469
  376    HB   VAL  51           HB       VAL  51   1.745   3.242   3.483
  377   1HG1  VAL  51          1HG1      VAL  51   3.484   4.771   2.715
  378   2HG1  VAL  51          2HG1      VAL  51   2.056   5.676   3.216
  379   3HG1  VAL  51          3HG1      VAL  51   2.392   5.436   1.501
  380   1HG2  VAL  51          1HG2      VAL  51  -0.195   4.691   3.006
  381   2HG2  VAL  51          2HG2      VAL  51  -0.409   3.060   2.367
  382   3HG2  VAL  51          3HG2      VAL  51   0.016   4.385   1.281
  383    H    LEU  52           H        LEU  52   4.142   3.631   0.167
  384    HA   LEU  52           HA       LEU  52   6.118   1.770   1.162
  385   1HB   LEU  52          2HB       LEU  52   6.036   2.503  -1.203
  386   2HB   LEU  52          1HB       LEU  52   6.437   4.132  -0.696
  387    HG   LEU  52           HG       LEU  52   8.621   3.302   0.160
  388   1HD1  LEU  52          1HD1      LEU  52   8.017   1.003   0.642
  389   2HD1  LEU  52          2HD1      LEU  52   9.373   1.049  -0.484
  390   3HD1  LEU  52          3HD1      LEU  52   7.750   0.686  -1.073
  391   1HD2  LEU  52          1HD2      LEU  52   8.466   4.256  -2.082
  392   2HD2  LEU  52          2HD2      LEU  52   8.069   2.671  -2.745
  393   3HD2  LEU  52          3HD2      LEU  52   9.659   2.957  -2.034
  394    H    LYS  53           H        LYS  53   7.149   2.070   3.035
  395    HA   LYS  53           HA       LYS  53   7.238   4.526   4.454
  396   1HB   LYS  53          2HB       LYS  53   7.408   2.108   5.355
  397   2HB   LYS  53          1HB       LYS  53   9.109   2.206   4.941
  398   1HG   LYS  53          2HG       LYS  53   7.903   4.320   6.687
  399   2HG   LYS  53          1HG       LYS  53   8.263   2.737   7.367
  400   1HD   LYS  53          2HD       LYS  53  10.292   3.618   7.788
  401   2HD   LYS  53          1HD       LYS  53  10.606   3.293   6.085
  402   1HE   LYS  53          2HE       LYS  53  11.283   5.554   6.683
  403   2HE   LYS  53          1HE       LYS  53   9.952   5.590   5.530
  404   1HZ   LYS  53          1HZ       LYS  53   9.669   7.205   7.322
  405   2HZ   LYS  53          2HZ       LYS  53   9.673   5.962   8.466
  406   3HZ   LYS  53          3HZ       LYS  53   8.425   6.060   7.329
  407    H    GLY  54           H        GLY  54   8.420   6.234   3.898
  408   1HA   GLY  54          2HA       GLY  54  10.665   7.187   3.687
  409   2HA   GLY  54          1HA       GLY  54  11.091   5.806   2.686
  410    H    SER  55           H        SER  55   8.074   6.464   1.716
  411    HA   SER  55           HA       SER  55   8.948   7.940  -0.617
  412   1HB   SER  55          2HB       SER  55   7.355   6.110  -0.899
  413   2HB   SER  55          1HB       SER  55   6.200   6.919   0.160
  414    HG   SER  55           HG       SER  55   6.602   7.262  -2.481
  415    H    LYS  56           H        LYS  56   7.119   9.604  -1.395
  416    HA   LYS  56           HA       LYS  56   7.613  11.980  -0.046
  417   1HB   LYS  56          2HB       LYS  56   5.833  12.933  -1.502
  418   2HB   LYS  56          1HB       LYS  56   6.990  11.939  -2.374
  419   1HG   LYS  56          2HG       LYS  56   5.320  10.038  -2.138
  420   2HG   LYS  56          1HG       LYS  56   4.158  11.259  -1.617
  421   1HD   LYS  56          2HD       LYS  56   5.627  11.210  -4.259
  422   2HD   LYS  56          1HD       LYS  56   3.939  10.771  -4.007
  423   1HE   LYS  56          2HE       LYS  56   3.492  13.082  -3.235
  424   2HE   LYS  56          1HE       LYS  56   5.168  13.495  -3.595
  425   1HZ   LYS  56          1HZ       LYS  56   3.744  14.141  -5.406
  426   2HZ   LYS  56          2HZ       LYS  56   3.135  12.567  -5.551
  427   3HZ   LYS  56          3HZ       LYS  56   4.754  12.887  -5.916
  428    H    ALA  57           H        ALA  57   4.715   9.920   0.148
  429    HA   ALA  57           HA       ALA  57   3.181  11.657   1.776
  430   1HB   ALA  57          1HB       ALA  57   2.197   9.853   0.443
  431   2HB   ALA  57          2HB       ALA  57   1.732   9.730   2.140
  432   3HB   ALA  57          3HB       ALA  57   2.971   8.658   1.484
  433    H    ASP  58           H        ASP  58   5.751   9.506   2.509
  434    HA   ASP  58           HA       ASP  58   5.102   9.090   5.284
  435   1HB   ASP  58          2HB       ASP  58   6.278   7.364   4.064
  436   2HB   ASP  58          1HB       ASP  58   7.559   8.485   3.623
  437    H    ALA  59           H        ALA  59   6.671  11.575   3.518
  438    HA   ALA  59           HA       ALA  59   8.540  12.359   5.576
  439   1HB   ALA  59          1HB       ALA  59   9.126  14.179   4.051
  440   2HB   ALA  59          2HB       ALA  59   7.780  13.732   3.003
  441   3HB   ALA  59          3HB       ALA  59   9.126  12.618   3.231
  442    H    LEU  60           H        LEU  60   6.355  12.419   6.960
  443    HA   LEU  60           HA       LEU  60   4.863  14.839   6.915
  444   1HB   LEU  60          2HB       LEU  60   4.236  14.124   9.291
  445   2HB   LEU  60          1HB       LEU  60   3.782  13.071   7.967
  446    HG   LEU  60           HG       LEU  60   5.822  11.669   8.504
  447   1HD1  LEU  60          1HD1      LEU  60   7.103  13.300   9.776
  448   2HD1  LEU  60          2HD1      LEU  60   6.775  11.872  10.755
  449   3HD1  LEU  60          3HD1      LEU  60   5.847  13.349  11.016
  450   1HD2  LEU  60          1HD2      LEU  60   3.568  10.998   9.148
  451   2HD2  LEU  60          2HD2      LEU  60   3.704  11.926  10.642
  452   3HD2  LEU  60          3HD2      LEU  60   4.741  10.525  10.378
  453    H    GLU  61           H        GLU  61   4.792  16.176   9.137
  454    HA   GLU  61           HA       GLU  61   7.378  17.489   9.170
  455   1HB   GLU  61          2HB       GLU  61   6.248  19.290  10.398
  456   2HB   GLU  61          1HB       GLU  61   5.412  18.874   8.911
  457   1HG   GLU  61          2HG       GLU  61   3.723  17.664  10.142
  458   2HG   GLU  61          1HG       GLU  61   4.592  17.934  11.654
  459    H    HIS  62           H        HIS  62   8.889  17.139  10.591
  460    HA   HIS  62           HA       HIS  62   8.477  17.240  13.401
  461   1HB   HIS  62          2HB       HIS  62   7.860  14.848  12.997
  462   2HB   HIS  62          1HB       HIS  62   9.461  14.578  12.315
  463    HD1  HIS  62           HD1      HIS  62   7.695  15.169  15.562
  464    HD2  HIS  62           HD2      HIS  62  11.530  14.352  14.192
  465    HE1  HIS  62           HE1      HIS  62   9.034  14.601  17.606
  466    HE2  HIS  62           HE2      HIS  62  11.385  14.327  16.768
  467    H    HIS  63           H        HIS  63   9.985  18.938  13.228
  468    HA   HIS  63           HA       HIS  63  12.721  18.198  12.462
  469   1HB   HIS  63          2HB       HIS  63  12.829  20.200  10.934
  470   2HB   HIS  63          1HB       HIS  63  11.807  18.885  10.361
  471    HD1  HIS  63           HD1      HIS  63  11.546  22.339  11.896
  472    HD2  HIS  63           HD2      HIS  63   9.151  19.552   9.954
  473    HE1  HIS  63           HE1      HIS  63   9.392  23.524  11.413
  474    HE2  HIS  63           HE2      HIS  63   7.923  21.799  10.329
  475    H    HIS  64           H        HIS  64  14.166  20.208  12.544
  476    HA   HIS  64           HA       HIS  64  13.450  22.159  14.610
  477   1HB   HIS  64          2HB       HIS  64  15.785  21.750  15.628
  478   2HB   HIS  64          1HB       HIS  64  14.526  20.576  15.996
  479    HD1  HIS  64           HD1      HIS  64  14.971  18.182  15.356
  480    HD2  HIS  64           HD2      HIS  64  17.713  20.809  13.674
  481    HE1  HIS  64           HE1      HIS  64  16.714  16.738  14.285
  482    HE2  HIS  64           HE2      HIS  64  18.426  18.342  13.394
  483    H    HIS  65           H        HIS  65  15.325  23.880  14.751
  484    HA   HIS  65           HA       HIS  65  15.757  24.858  12.108
  485   1HB   HIS  65          2HB       HIS  65  16.603  25.797  14.829
  486   2HB   HIS  65          1HB       HIS  65  17.300  26.535  13.396
  487    HD1  HIS  65           HD1      HIS  65  14.619  27.009  15.676
  488    HD2  HIS  65           HD2      HIS  65  15.068  27.461  11.571
  489    HE1  HIS  65           HE1      HIS  65  12.807  28.593  14.968
  490    HE2  HIS  65           HE2      HIS  65  13.203  28.973  12.521
  491    H    HIS  66           H        HIS  66  16.940  23.273  11.017
  492    HA   HIS  66           HA       HIS  66  19.754  22.935  11.776
  493   1HB   HIS  66          2HB       HIS  66  18.283  21.023  10.893
  494   2HB   HIS  66          1HB       HIS  66  18.395  21.801   9.319
  495    HD1  HIS  66           HD1      HIS  66  20.409  21.224   7.939
  496    HD2  HIS  66           HD2      HIS  66  20.895  20.197  11.937
  497    HE1  HIS  66           HE1      HIS  66  22.550  19.921   8.045
  498    HE2  HIS  66           HE2      HIS  66  22.903  19.455  10.487
  499    H    HIS  67           H        HIS  67  17.712  24.744   9.689
  500    HA   HIS  67           HA       HIS  67  20.036  25.983   8.347
  501   1HB   HIS  67          2HB       HIS  67  17.117  26.047   7.508
  502   2HB   HIS  67          1HB       HIS  67  18.456  26.786   6.636
  503    HD1  HIS  67           HD1      HIS  67  19.686  25.343   4.994
  504    HD2  HIS  67           HD2      HIS  67  17.165  23.151   7.461
  505    HE1  HIS  67           HE1      HIS  67  19.633  23.032   4.019
  506    HE2  HIS  67           HE2      HIS  67  17.948  21.789   5.405
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1 -11.070 -15.873   8.132
    2   2H    MET   1          2H        MET   1 -12.469 -16.604   7.530
    3   3H    MET   1          3H        MET   1 -12.132 -14.992   7.152
    4    HA   MET   1           HA       MET   1 -10.552 -17.349   6.310
    5   1HB   MET   1          2HB       MET   1 -12.339 -15.503   4.707
    6   2HB   MET   1          1HB       MET   1 -11.343 -16.787   4.033
    7   1HG   MET   1          2HG       MET   1 -13.660 -17.482   4.215
    8   2HG   MET   1          1HG       MET   1 -12.633 -18.449   5.272
    9   1HE   MET   1          1HE       MET   1 -15.806 -18.369   5.518
   10   2HE   MET   1          2HE       MET   1 -16.018 -18.234   7.264
   11   3HE   MET   1          3HE       MET   1 -14.789 -19.315   6.604
   12    H    THR   2           H        THR   2 -10.983 -13.806   5.917
   13    HA   THR   2           HA       THR   2  -8.060 -13.616   5.446
   14    HB   THR   2           HB       THR   2 -10.059 -11.611   4.351
   15    HG1  THR   2           HG1      THR   2 -10.538 -13.062   2.883
   16   1HG2  THR   2          1HG2      THR   2  -8.207 -11.024   2.853
   17   2HG2  THR   2          2HG2      THR   2  -7.196 -12.244   3.621
   18   3HG2  THR   2          3HG2      THR   2  -7.743 -10.845   4.544
   19    H    ILE   3           H        ILE   3  -6.935 -12.229   6.753
   20    HA   ILE   3           HA       ILE   3  -8.136 -10.954   8.980
   21    HB   ILE   3           HB       ILE   3  -5.740 -11.628   8.887
   22   1HG1  ILE   3          2HG1      ILE   3  -4.836  -9.628  10.060
   23   2HG1  ILE   3          1HG1      ILE   3  -6.213  -8.689   9.498
   24   1HG2  ILE   3          1HG2      ILE   3  -5.403  -9.213   7.100
   25   2HG2  ILE   3          2HG2      ILE   3  -5.250 -10.897   6.602
   26   3HG2  ILE   3          3HG2      ILE   3  -4.104 -10.209   7.751
   27   1HD1  ILE   3          1HD1      ILE   3  -6.508  -9.372  11.801
   28   2HD1  ILE   3          2HD1      ILE   3  -6.320 -11.065  11.347
   29   3HD1  ILE   3          3HD1      ILE   3  -7.713 -10.148  10.773
   30    H    GLN   4           H        GLN   4  -7.742 -10.012   5.728
   31    HA   GLN   4           HA       GLN   4  -8.555  -8.317   4.494
   32   1HB   GLN   4          2HB       GLN   4  -9.794  -7.363   7.081
   33   2HB   GLN   4          1HB       GLN   4 -10.123  -6.672   5.498
   34   1HG   GLN   4          2HG       GLN   4 -11.057  -8.801   4.751
   35   2HG   GLN   4          1HG       GLN   4 -10.700  -9.515   6.324
   36   1HE2  GLN   4          1HE2      GLN   4 -12.718  -7.277   4.592
   37   2HE2  GLN   4          2HE2      GLN   4 -13.928  -7.114   5.818
   38    H    ALA   5           H        ALA   5  -8.153  -6.379   7.442
   39    HA   ALA   5           HA       ALA   5  -7.070  -4.397   7.775
   40   1HB   ALA   5          1HB       ALA   5  -4.661  -4.432   7.371
   41   2HB   ALA   5          2HB       ALA   5  -4.848  -5.840   6.323
   42   3HB   ALA   5          3HB       ALA   5  -5.211  -5.965   8.044
   43    HA   PRO   6           HA       PRO   6  -7.673  -3.054   3.293
   44   1HB   PRO   6          2HB       PRO   6 -10.148  -2.059   3.361
   45   2HB   PRO   6          1HB       PRO   6  -9.875  -3.806   3.296
   46   1HG   PRO   6          2HG       PRO   6 -10.567  -2.084   5.653
   47   2HG   PRO   6          1HG       PRO   6 -11.206  -3.675   5.206
   48   1HD   PRO   6          2HD       PRO   6  -9.207  -3.252   7.073
   49   2HD   PRO   6          1HD       PRO   6  -9.469  -4.777   6.206
   50    H    GLU   7           H        GLU   7  -6.343  -1.646   5.458
   51    HA   GLU   7           HA       GLU   7  -7.140   1.140   4.883
   52   1HB   GLU   7          2HB       GLU   7  -7.275  -0.110   7.359
   53   2HB   GLU   7          1HB       GLU   7  -5.731   0.720   7.440
   54   1HG   GLU   7          2HG       GLU   7  -8.237   2.157   6.616
   55   2HG   GLU   7          1HG       GLU   7  -7.838   1.911   8.312
   56    H    THR   8           H        THR   8  -4.891   2.273   6.264
   57    HA   THR   8           HA       THR   8  -2.928   2.158   4.212
   58    HB   THR   8           HB       THR   8  -2.766   3.455   6.947
   59    HG1  THR   8           HG1      THR   8  -4.481   4.278   5.676
   60   1HG2  THR   8          1HG2      THR   8  -1.049   4.897   5.913
   61   2HG2  THR   8          2HG2      THR   8  -1.119   3.914   4.450
   62   3HG2  THR   8          3HG2      THR   8  -0.552   3.206   5.961
   63    H    LYS   9           H        LYS   9  -1.275   0.778   4.007
   64    HA   LYS   9           HA       LYS   9  -0.256  -0.595   6.413
   65   1HB   LYS   9          2HB       LYS   9  -1.570  -1.989   4.665
   66   2HB   LYS   9          1HB       LYS   9  -0.145  -1.799   3.652
   67   1HG   LYS   9          2HG       LYS   9   0.021  -3.897   4.776
   68   2HG   LYS   9          1HG       LYS   9   1.213  -2.812   5.491
   69   1HD   LYS   9          2HD       LYS   9  -0.238  -2.399   7.388
   70   2HD   LYS   9          1HD       LYS   9  -1.528  -3.352   6.654
   71   1HE   LYS   9          2HE       LYS   9  -0.401  -4.639   8.378
   72   2HE   LYS   9          1HE       LYS   9  -0.108  -5.356   6.796
   73   1HZ   LYS   9          1HZ       LYS   9   2.065  -4.335   6.758
   74   2HZ   LYS   9          2HZ       LYS   9   1.900  -5.260   8.159
   75   3HZ   LYS   9          3HZ       LYS   9   1.777  -3.580   8.241
   76    H    ILE  10           H        ILE  10   1.575   0.473   6.859
   77    HA   ILE  10           HA       ILE  10   3.241   1.601   4.765
   78    HB   ILE  10           HB       ILE  10   3.639   1.605   7.772
   79   1HG1  ILE  10          2HG1      ILE  10   2.499   3.734   5.927
   80   2HG1  ILE  10          1HG1      ILE  10   1.578   2.768   7.078
   81   1HG2  ILE  10          1HG2      ILE  10   4.999   3.234   5.620
   82   2HG2  ILE  10          2HG2      ILE  10   5.737   1.946   6.570
   83   3HG2  ILE  10          3HG2      ILE  10   5.223   3.438   7.357
   84   1HD1  ILE  10          1HD1      ILE  10   3.731   4.763   7.765
   85   2HD1  ILE  10          2HD1      ILE  10   2.812   3.795   8.921
   86   3HD1  ILE  10          3HD1      ILE  10   1.990   4.999   7.930
   87    H    VAL  11           H        VAL  11   4.398   0.092   3.678
   88    HA   VAL  11           HA       VAL  11   5.851  -1.966   5.224
   89    HB   VAL  11           HB       VAL  11   5.899  -3.303   3.138
   90   1HG1  VAL  11          1HG1      VAL  11   4.140  -3.707   4.773
   91   2HG1  VAL  11          2HG1      VAL  11   3.518  -3.933   3.140
   92   3HG1  VAL  11          3HG1      VAL  11   3.136  -2.461   4.035
   93   1HG2  VAL  11          1HG2      VAL  11   5.747  -1.462   1.519
   94   2HG2  VAL  11          2HG2      VAL  11   4.088  -1.144   2.026
   95   3HG2  VAL  11          3HG2      VAL  11   4.490  -2.669   1.235
   96    H    ASP  12           H        ASP  12   7.986  -2.569   4.522
   97    HA   ASP  12           HA       ASP  12   9.546  -0.272   3.645
   98   1HB   ASP  12          2HB       ASP  12  10.346  -2.990   4.715
   99   2HB   ASP  12          1HB       ASP  12  11.495  -1.734   4.272
  100    H    LYS  13           H        LYS  13   7.879  -2.133   1.806
  101    HA   LYS  13           HA       LYS  13  10.004  -2.673  -0.148
  102   1HB   LYS  13          2HB       LYS  13   8.836  -4.793  -0.765
  103   2HB   LYS  13          1HB       LYS  13   9.539  -4.801   0.849
  104   1HG   LYS  13          2HG       LYS  13   7.311  -4.312   1.795
  105   2HG   LYS  13          1HG       LYS  13   6.626  -4.402   0.167
  106   1HD   LYS  13          2HD       LYS  13   7.324  -6.726  -0.024
  107   2HD   LYS  13          1HD       LYS  13   8.103  -6.644   1.556
  108   1HE   LYS  13          2HE       LYS  13   5.931  -6.251   2.613
  109   2HE   LYS  13          1HE       LYS  13   5.146  -6.304   1.034
  110   1HZ   LYS  13          1HZ       LYS  13   5.755  -8.582   0.793
  111   2HZ   LYS  13          2HZ       LYS  13   5.013  -8.407   2.303
  112   3HZ   LYS  13          3HZ       LYS  13   6.692  -8.552   2.196
  113    H    SER  14           H        SER  14   9.481  -2.408  -2.306
  114    HA   SER  14           HA       SER  14   7.117  -0.785  -2.839
  115   1HB   SER  14          2HB       SER  14   9.438  -1.547  -4.630
  116   2HB   SER  14          1HB       SER  14   8.164  -0.404  -5.049
  117    HG   SER  14           HG       SER  14   9.449   1.005  -4.172
  118    H    ARG  15           H        ARG  15   8.188  -4.037  -3.427
  119    HA   ARG  15           HA       ARG  15   5.937  -4.466  -5.283
  120   1HB   ARG  15          2HB       ARG  15   8.478  -6.058  -4.878
  121   2HB   ARG  15          1HB       ARG  15   7.158  -6.548  -5.938
  122   1HG   ARG  15          2HG       ARG  15   7.464  -4.619  -7.331
  123   2HG   ARG  15          1HG       ARG  15   8.643  -3.939  -6.208
  124   1HD   ARG  15          2HD       ARG  15  10.179  -5.758  -6.679
  125   2HD   ARG  15          1HD       ARG  15   8.987  -6.518  -7.735
  126    HE   ARG  15           HE       ARG  15   9.204  -4.323  -9.053
  127   1HH1  ARG  15          1HH1      ARG  15  11.801  -5.782  -7.315
  128   2HH1  ARG  15          2HH1      ARG  15  13.003  -5.157  -8.383
  129   1HH2  ARG  15          1HH2      ARG  15  10.739  -3.552 -10.413
  130   2HH2  ARG  15          2HH2      ARG  15  12.407  -3.916 -10.133
  131    H    VAL  16           H        VAL  16   4.180  -5.183  -4.308
  132    HA   VAL  16           HA       VAL  16   4.415  -7.098  -2.061
  133    HB   VAL  16           HB       VAL  16   2.139  -5.177  -2.636
  134   1HG1  VAL  16          1HG1      VAL  16   1.321  -5.806  -0.411
  135   2HG1  VAL  16          2HG1      VAL  16   2.630  -6.981  -0.263
  136   3HG1  VAL  16          3HG1      VAL  16   1.386  -7.196  -1.495
  137   1HG2  VAL  16          1HG2      VAL  16   2.920  -3.933  -0.669
  138   2HG2  VAL  16          2HG2      VAL  16   4.149  -3.973  -1.934
  139   3HG2  VAL  16          3HG2      VAL  16   4.300  -5.024  -0.525
  140    H    ALA  17           H        ALA  17   2.993  -8.882  -1.997
  141    HA   ALA  17           HA       ALA  17   2.131  -9.772  -4.637
  142   1HB   ALA  17          1HB       ALA  17   3.557 -11.244  -3.296
  143   2HB   ALA  17          2HB       ALA  17   2.003 -11.995  -3.658
  144   3HB   ALA  17          3HB       ALA  17   2.306 -11.325  -2.054
  145    H    CYS  18           H        CYS  18   0.133  -9.158  -5.203
  146    HA   CYS  18           HA       CYS  18  -2.044  -8.999  -3.271
  147   1HB   CYS  18          2HB       CYS  18  -1.919  -8.423  -6.238
  148   2HB   CYS  18          1HB       CYS  18  -3.362  -8.210  -5.252
  149    HG   CYS  18           HG       CYS  18  -0.419  -6.558  -4.689
  150    H    ASP  19           H        ASP  19  -4.154  -9.744  -5.131
  151    HA   ASP  19           HA       ASP  19  -5.491 -11.504  -5.570
  152   1HB   ASP  19          2HB       ASP  19  -3.481 -12.133  -7.034
  153   2HB   ASP  19          1HB       ASP  19  -3.043 -13.263  -5.755
  154    H    GLY  20           H        GLY  20  -6.457 -11.513  -3.551
  155   1HA   GLY  20          2HA       GLY  20  -5.737 -13.777  -1.829
  156   2HA   GLY  20          1HA       GLY  20  -5.776 -12.186  -1.100
  157    H    GLY  21           H        GLY  21  -7.428 -14.705  -0.695
  158   1HA   GLY  21          2HA       GLY  21  -9.714 -13.692   0.287
  159   2HA   GLY  21          1HA       GLY  21 -10.112 -13.799  -1.416
  160    H    GLU  22           H        GLU  22  -8.432 -16.327  -1.604
  161    HA   GLU  22           HA       GLU  22 -10.046 -18.259  -0.128
  162   1HB   GLU  22          2HB       GLU  22 -11.431 -17.591  -2.102
  163   2HB   GLU  22          1HB       GLU  22 -10.137 -18.133  -3.159
  164   1HG   GLU  22          2HG       GLU  22 -10.402 -20.422  -2.198
  165   2HG   GLU  22          1HG       GLU  22 -11.811 -19.828  -1.318
  166    H    GLY  23           H        GLY  23  -9.360 -20.574  -0.710
  167   1HA   GLY  23          2HA       GLY  23  -6.697 -21.104  -0.483
  168   2HA   GLY  23          1HA       GLY  23  -7.815 -22.186  -1.295
  169    H    ALA  24           H        ALA  24  -8.366 -21.218  -3.641
  170    HA   ALA  24           HA       ALA  24  -6.012 -21.405  -5.192
  171   1HB   ALA  24          1HB       ALA  24  -8.716 -20.360  -6.038
  172   2HB   ALA  24          2HB       ALA  24  -8.240 -22.059  -6.011
  173   3HB   ALA  24          3HB       ALA  24  -7.435 -20.934  -7.105
  174    H    LEU  25           H        LEU  25  -7.595 -18.702  -3.747
  175    HA   LEU  25           HA       LEU  25  -6.017 -16.763  -5.306
  176   1HB   LEU  25          2HB       LEU  25  -8.344 -16.329  -3.418
  177   2HB   LEU  25          1HB       LEU  25  -7.534 -15.073  -4.334
  178    HG   LEU  25           HG       LEU  25  -9.105 -17.366  -5.529
  179   1HD1  LEU  25          1HD1      LEU  25 -10.743 -15.649  -6.141
  180   2HD1  LEU  25          2HD1      LEU  25  -9.807 -14.442  -5.260
  181   3HD1  LEU  25          3HD1      LEU  25 -10.560 -15.780  -4.392
  182   1HD2  LEU  25          1HD2      LEU  25  -7.289 -16.637  -6.986
  183   2HD2  LEU  25          2HD2      LEU  25  -7.828 -14.963  -6.841
  184   3HD2  LEU  25          3HD2      LEU  25  -8.853 -16.154  -7.642
  185    H    GLY  26           H        GLY  26  -4.950 -18.497  -3.091
  186   1HA   GLY  26          2HA       GLY  26  -4.615 -16.731  -0.816
  187   2HA   GLY  26          1HA       GLY  26  -3.933 -18.332  -1.004
  188    H    HIS  27           H        HIS  27  -3.614 -15.308  -2.854
  189    HA   HIS  27           HA       HIS  27  -1.807 -14.225  -3.709
  190   1HB   HIS  27          2HB       HIS  27  -0.656 -14.878  -0.983
  191   2HB   HIS  27          1HB       HIS  27  -0.064 -13.625  -2.071
  192    HD1  HIS  27           HD1      HIS  27  -1.536 -11.488  -2.327
  193    HD2  HIS  27           HD2      HIS  27  -2.958 -14.229   0.451
  194    HE1  HIS  27           HE1      HIS  27  -3.336 -10.280  -1.052
  195    HE2  HIS  27           HE2      HIS  27  -4.048 -11.903   0.734
  196    HA   PRO  28           HA       PRO  28   0.402 -18.267  -4.821
  197   1HB   PRO  28          2HB       PRO  28  -0.310 -17.243  -7.525
  198   2HB   PRO  28          1HB       PRO  28  -0.417 -18.885  -6.877
  199   1HG   PRO  28          2HG       PRO  28  -2.616 -17.433  -7.222
  200   2HG   PRO  28          1HG       PRO  28  -2.432 -18.468  -5.793
  201   1HD   PRO  28          2HD       PRO  28  -2.092 -15.492  -6.034
  202   2HD   PRO  28          1HD       PRO  28  -2.883 -16.435  -4.751
  203    H    ARG  29           H        ARG  29   0.495 -15.438  -6.995
  204    HA   ARG  29           HA       ARG  29   2.942 -14.429  -6.187
  205   1HB   ARG  29          2HB       ARG  29   3.577 -16.755  -7.294
  206   2HB   ARG  29          1HB       ARG  29   3.436 -15.829  -8.783
  207   1HG   ARG  29          2HG       ARG  29   5.699 -15.766  -8.116
  208   2HG   ARG  29          1HG       ARG  29   5.037 -14.174  -7.809
  209   1HD   ARG  29          2HD       ARG  29   4.957 -14.525  -5.487
  210   2HD   ARG  29          1HD       ARG  29   5.133 -16.270  -5.657
  211    HE   ARG  29           HE       ARG  29   7.407 -14.823  -6.627
  212   1HH1  ARG  29          1HH1      ARG  29   5.924 -16.086  -3.773
  213   2HH1  ARG  29          2HH1      ARG  29   7.426 -16.244  -2.933
  214   1HH2  ARG  29          1HH2      ARG  29   9.325 -15.032  -5.523
  215   2HH2  ARG  29          2HH2      ARG  29   9.319 -15.683  -3.922
  216    H    VAL  30           H        VAL  30   1.709 -12.654  -6.495
  217    HA   VAL  30           HA       VAL  30   1.556 -11.607  -9.246
  218    HB   VAL  30           HB       VAL  30  -0.651 -11.260  -7.191
  219   1HG1  VAL  30          1HG1      VAL  30  -1.878 -10.136  -8.994
  220   2HG1  VAL  30          2HG1      VAL  30  -0.478 -10.301 -10.055
  221   3HG1  VAL  30          3HG1      VAL  30  -0.378  -9.291  -8.612
  222   1HG2  VAL  30          1HG2      VAL  30  -2.044 -12.591  -8.713
  223   2HG2  VAL  30          2HG2      VAL  30  -0.672 -13.519  -8.110
  224   3HG2  VAL  30          3HG2      VAL  30  -0.643 -12.873  -9.749
  225    H    TRP  31           H        TRP  31   3.062 -10.016  -9.180
  226    HA   TRP  31           HA       TRP  31   3.470  -8.515  -6.693
  227   1HB   TRP  31          2HB       TRP  31   5.140  -8.624  -9.217
  228   2HB   TRP  31          1HB       TRP  31   5.575  -7.765  -7.744
  229    HD1  TRP  31           HD       TRP  31   5.487 -11.245  -9.263
  230    HE1  TRP  31           HE1      TRP  31   6.723 -12.874  -7.704
  231    HE3  TRP  31           HE3      TRP  31   6.112  -8.181  -5.215
  232    HZ2  TRP  31           HZ2      TRP  31   7.812 -12.865  -5.100
  233    HZ3  TRP  31           HZ3      TRP  31   7.260  -9.073  -3.231
  234    HH2  TRP  31           HH       TRP  31   8.091 -11.365  -3.173
  235    H    LEU  32           H        LEU  32   2.612  -6.551  -6.422
  236    HA   LEU  32           HA       LEU  32   2.145  -4.850  -8.785
  237   1HB   LEU  32          2HB       LEU  32   0.930  -4.890  -6.045
  238   2HB   LEU  32          1HB       LEU  32   0.920  -3.406  -6.974
  239    HG   LEU  32           HG       LEU  32  -0.294  -4.588  -8.796
  240   1HD1  LEU  32          1HD1      LEU  32  -0.423  -6.867  -6.826
  241   2HD1  LEU  32          2HD1      LEU  32   0.411  -6.862  -8.379
  242   3HD1  LEU  32          3HD1      LEU  32  -1.348  -6.752  -8.322
  243   1HD2  LEU  32          1HD2      LEU  32  -2.461  -4.683  -7.637
  244   2HD2  LEU  32          2HD2      LEU  32  -1.526  -3.257  -7.191
  245   3HD2  LEU  32          3HD2      LEU  32  -1.626  -4.628  -6.084
  246    H    GLN  33           H        GLN  33   3.278  -3.056  -9.117
  247    HA   GLN  33           HA       GLN  33   5.552  -2.492  -7.362
  248   1HB   GLN  33          2HB       GLN  33   6.038  -2.813  -9.703
  249   2HB   GLN  33          1HB       GLN  33   4.824  -1.638 -10.173
  250   1HG   GLN  33          2HG       GLN  33   6.992  -0.673 -10.456
  251   2HG   GLN  33          1HG       GLN  33   6.181   0.140  -9.122
  252   1HE2  GLN  33          1HE2      GLN  33   7.057   0.018  -7.095
  253   2HE2  GLN  33          2HE2      GLN  33   8.584  -0.718  -6.768
  254    H    ILE  34           H        ILE  34   5.248  -1.024  -5.798
  255    HA   ILE  34           HA       ILE  34   3.389   1.110  -5.836
  256    HB   ILE  34           HB       ILE  34   5.919   0.794  -4.198
  257   1HG1  ILE  34          2HG1      ILE  34   3.021   0.228  -3.510
  258   2HG1  ILE  34          1HG1      ILE  34   4.256  -0.988  -3.814
  259   1HG2  ILE  34          1HG2      ILE  34   4.917   2.466  -2.676
  260   2HG2  ILE  34          2HG2      ILE  34   3.627   2.729  -3.849
  261   3HG2  ILE  34          3HG2      ILE  34   5.291   3.130  -4.266
  262   1HD1  ILE  34          1HD1      ILE  34   5.484  -0.202  -1.835
  263   2HD1  ILE  34          2HD1      ILE  34   3.856  -0.755  -1.449
  264   3HD1  ILE  34          3HD1      ILE  34   4.202   0.970  -1.524
  265    HA   PRO  35           HA       PRO  35   5.903   3.732  -8.527
  266   1HB   PRO  35          2HB       PRO  35   4.024   5.545  -9.120
  267   2HB   PRO  35          1HB       PRO  35   3.935   3.899  -9.761
  268   1HG   PRO  35          2HG       PRO  35   2.476   5.108  -7.436
  269   2HG   PRO  35          1HG       PRO  35   1.848   4.054  -8.715
  270   1HD   PRO  35          2HD       PRO  35   2.581   3.176  -6.204
  271   2HD   PRO  35          1HD       PRO  35   2.565   2.147  -7.650
  272    H    GLU  36           H        GLU  36   7.301   5.313  -7.940
  273    HA   GLU  36           HA       GLU  36   7.241   6.734  -5.525
  274   1HB   GLU  36          2HB       GLU  36   9.279   6.433  -6.874
  275   2HB   GLU  36          1HB       GLU  36   8.616   7.471  -8.127
  276   1HG   GLU  36          2HG       GLU  36   8.593   9.342  -6.475
  277   2HG   GLU  36          1HG       GLU  36   9.404   8.279  -5.328
  278    H    ASP  37           H        ASP  37   5.645   7.289  -8.508
  279    HA   ASP  37           HA       ASP  37   5.120  10.039  -8.430
  280   1HB   ASP  37          2HB       ASP  37   3.298   7.902  -9.553
  281   2HB   ASP  37          1HB       ASP  37   3.432   9.579 -10.080
  282    H    THR  38           H        THR  38   3.472   7.328  -6.874
  283    HA   THR  38           HA       THR  38   1.475   9.173  -5.702
  284    HB   THR  38           HB       THR  38   0.041   7.274  -5.280
  285    HG1  THR  38           HG1      THR  38   0.712   5.157  -5.689
  286   1HG2  THR  38          1HG2      THR  38  -0.369   6.437  -7.552
  287   2HG2  THR  38          2HG2      THR  38   1.205   7.043  -8.063
  288   3HG2  THR  38          3HG2      THR  38  -0.050   8.174  -7.563
  289    H    GLY  39           H        GLY  39   3.565   6.415  -4.894
  290   1HA   GLY  39          2HA       GLY  39   4.897   6.316  -2.913
  291   2HA   GLY  39          1HA       GLY  39   3.773   7.414  -2.130
  292    H    TRP  40           H        TRP  40   1.914   5.240  -3.765
  293    HA   TRP  40           HA       TRP  40   1.950   3.086  -1.823
  294   1HB   TRP  40          2HB       TRP  40  -0.395   3.441  -1.095
  295   2HB   TRP  40          1HB       TRP  40   0.664   4.757  -0.594
  296    HD1  TRP  40           HD       TRP  40   0.298   7.149  -1.769
  297    HE1  TRP  40           HE1      TRP  40  -1.707   8.150  -3.033
  298    HE3  TRP  40           HE3      TRP  40  -2.326   2.855  -2.673
  299    HZ2  TRP  40           HZ2      TRP  40  -4.090   7.244  -4.252
  300    HZ3  TRP  40           HZ3      TRP  40  -4.458   3.007  -3.893
  301    HH2  TRP  40           HH       TRP  40  -5.323   5.158  -4.666
  302    H    VAL  41           H        VAL  41   0.246   1.422  -2.293
  303    HA   VAL  41           HA       VAL  41  -0.989   1.612  -4.947
  304    HB   VAL  41           HB       VAL  41   1.215   0.457  -5.256
  305   1HG1  VAL  41          1HG1      VAL  41   1.509  -1.822  -4.435
  306   2HG1  VAL  41          2HG1      VAL  41  -0.012  -1.712  -3.548
  307   3HG1  VAL  41          3HG1      VAL  41   1.349  -0.684  -3.098
  308   1HG2  VAL  41          1HG2      VAL  41  -1.243  -1.223  -5.781
  309   2HG2  VAL  41          2HG2      VAL  41   0.318  -1.409  -6.582
  310   3HG2  VAL  41          3HG2      VAL  41  -0.617   0.069  -6.810
  311    H    GLU  42           H        GLU  42  -2.885   0.411  -5.158
  312    HA   GLU  42           HA       GLU  42  -3.927  -0.745  -2.655
  313   1HB   GLU  42          2HB       GLU  42  -6.151  -0.298  -3.545
  314   2HB   GLU  42          1HB       GLU  42  -5.176   1.165  -3.612
  315   1HG   GLU  42          2HG       GLU  42  -4.737   0.729  -6.003
  316   2HG   GLU  42          1HG       GLU  42  -5.791  -0.678  -5.919
  317    H    CYS  43           H        CYS  43  -4.705  -2.834  -2.578
  318    HA   CYS  43           HA       CYS  43  -4.341  -4.480  -4.986
  319   1HB   CYS  43          2HB       CYS  43  -4.495  -6.421  -3.494
  320   2HB   CYS  43          1HB       CYS  43  -3.261  -5.297  -2.939
  321    HG   CYS  43           HG       CYS  43  -4.123  -5.590  -0.531
  322    HA   PRO  44           HA       PRO  44  -8.802  -4.131  -5.526
  323   1HB   PRO  44          2HB       PRO  44  -8.987  -5.576  -7.812
  324   2HB   PRO  44          1HB       PRO  44  -8.335  -3.933  -7.774
  325   1HG   PRO  44          2HG       PRO  44  -6.858  -6.549  -7.782
  326   2HG   PRO  44          1HG       PRO  44  -6.556  -5.093  -8.758
  327   1HD   PRO  44          2HD       PRO  44  -5.116  -5.654  -6.542
  328   2HD   PRO  44          1HD       PRO  44  -5.508  -3.987  -7.010
  329    H    TYR  45           H        TYR  45  -7.320  -6.569  -4.125
  330    HA   TYR  45           HA       TYR  45  -9.647  -8.383  -4.235
  331   1HB   TYR  45          2HB       TYR  45  -6.714  -8.938  -3.899
  332   2HB   TYR  45          1HB       TYR  45  -7.889 -10.050  -3.208
  333    HD1  TYR  45           HD1      TYR  45  -9.418 -11.310  -4.678
  334    HD2  TYR  45           HD2      TYR  45  -6.352  -8.832  -6.294
  335    HE1  TYR  45           HE1      TYR  45  -9.650 -12.445  -6.845
  336    HE2  TYR  45           HE2      TYR  45  -6.578  -9.966  -8.465
  337    HH   TYR  45           HH       TYR  45  -7.415 -12.358  -9.211
  338    H    CYS  46           H        CYS  46  -7.137  -7.097  -2.048
  339    HA   CYS  46           HA       CYS  46  -8.852  -7.794   0.244
  340   1HB   CYS  46          2HB       CYS  46  -6.478  -8.673   0.092
  341   2HB   CYS  46          1HB       CYS  46  -5.934  -7.014   0.321
  342    HG   CYS  46           HG       CYS  46  -6.779  -6.734   2.872
  343    H    ASP  47           H        ASP  47  -8.091  -5.130  -1.622
  344    HA   ASP  47           HA       ASP  47  -8.520  -2.905  -1.455
  345   1HB   ASP  47          2HB       ASP  47 -10.018  -3.787   1.019
  346   2HB   ASP  47          1HB       ASP  47 -10.058  -2.143   0.388
  347    H    CYS  48           H        CYS  48  -6.173  -4.181   0.057
  348    HA   CYS  48           HA       CYS  48  -5.659  -2.363   2.242
  349   1HB   CYS  48          2HB       CYS  48  -3.709  -4.232   0.870
  350   2HB   CYS  48          1HB       CYS  48  -3.540  -3.507   2.464
  351    HG   CYS  48           HG       CYS  48  -5.399  -5.039   3.722
  352    H    LYS  49           H        LYS  49  -4.490  -0.515   2.223
  353    HA   LYS  49           HA       LYS  49  -3.471   0.467  -0.358
  354   1HB   LYS  49          2HB       LYS  49  -5.100   1.884   0.817
  355   2HB   LYS  49          1HB       LYS  49  -4.059   1.930   2.232
  356   1HG   LYS  49          2HG       LYS  49  -2.351   3.127   0.921
  357   2HG   LYS  49          1HG       LYS  49  -3.423   3.099  -0.480
  358   1HD   LYS  49          2HD       LYS  49  -5.089   4.402   0.756
  359   2HD   LYS  49          1HD       LYS  49  -4.040   4.416   2.175
  360   1HE   LYS  49          2HE       LYS  49  -2.348   5.661   0.896
  361   2HE   LYS  49          1HE       LYS  49  -3.408   5.646  -0.512
  362   1HZ   LYS  49          1HZ       LYS  49  -3.569   7.736   0.662
  363   2HZ   LYS  49          2HZ       LYS  49  -4.007   6.942   2.091
  364   3HZ   LYS  49          3HZ       LYS  49  -5.040   6.908   0.754
  365    H    TYR  50           H        TYR  50  -1.408  -0.364  -0.561
  366    HA   TYR  50           HA       TYR  50   0.332  -0.596   1.747
  367   1HB   TYR  50          2HB       TYR  50   0.893  -1.224  -1.163
  368   2HB   TYR  50          1HB       TYR  50   1.883  -1.704   0.211
  369    HD1  TYR  50           HD2      TYR  50   0.884  -3.309   1.915
  370    HD2  TYR  50           HD1      TYR  50  -0.939  -2.547  -1.860
  371    HE1  TYR  50           HE2      TYR  50  -0.432  -5.373   2.137
  372    HE2  TYR  50           HE1      TYR  50  -2.259  -4.606  -1.642
  373    HH   TYR  50           HH       TYR  50  -2.505  -6.336   1.281
  374    H    VAL  51           H        VAL  51   1.186   1.274   2.447
  375    HA   VAL  51           HA       VAL  51   2.193   3.266   0.560
  376    HB   VAL  51           HB       VAL  51   2.029   3.298   3.587
  377   1HG1  VAL  51          1HG1      VAL  51   3.914   4.658   2.851
  378   2HG1  VAL  51          2HG1      VAL  51   2.603   5.689   3.423
  379   3HG1  VAL  51          3HG1      VAL  51   2.882   5.496   1.694
  380   1HG2  VAL  51          1HG2      VAL  51   0.248   4.956   3.234
  381   2HG2  VAL  51          2HG2      VAL  51  -0.151   3.408   2.492
  382   3HG2  VAL  51          3HG2      VAL  51   0.404   4.747   1.488
  383    H    LEU  52           H        LEU  52   4.271   3.407  -0.027
  384    HA   LEU  52           HA       LEU  52   6.240   1.601   0.985
  385   1HB   LEU  52          2HB       LEU  52   6.234   2.293  -1.350
  386   2HB   LEU  52          1HB       LEU  52   6.493   3.962  -0.881
  387    HG   LEU  52           HG       LEU  52   8.723   3.377  -0.004
  388   1HD1  LEU  52          1HD1      LEU  52   8.304   1.062   0.626
  389   2HD1  LEU  52          2HD1      LEU  52   9.690   1.172  -0.460
  390   3HD1  LEU  52          3HD1      LEU  52   8.133   0.615  -1.071
  391   1HD2  LEU  52          1HD2      LEU  52   8.254   2.503  -2.860
  392   2HD2  LEU  52          2HD2      LEU  52   9.812   2.959  -2.165
  393   3HD2  LEU  52          3HD2      LEU  52   8.525   4.155  -2.304
  394    H    LYS  53           H        LYS  53   7.206   1.853   2.877
  395    HA   LYS  53           HA       LYS  53   7.239   4.225   4.384
  396   1HB   LYS  53          2HB       LYS  53   7.392   1.886   5.276
  397   2HB   LYS  53          1HB       LYS  53   9.061   1.832   4.717
  398   1HG   LYS  53          2HG       LYS  53   9.694   3.573   6.239
  399   2HG   LYS  53          1HG       LYS  53   8.011   3.858   6.689
  400   1HD   LYS  53          2HD       LYS  53   7.904   1.560   7.609
  401   2HD   LYS  53          1HD       LYS  53   9.613   1.348   7.224
  402   1HE   LYS  53          2HE       LYS  53   8.457   3.401   9.120
  403   2HE   LYS  53          1HE       LYS  53   9.293   1.917   9.581
  404   1HZ   LYS  53          1HZ       LYS  53  11.250   2.801   8.347
  405   2HZ   LYS  53          2HZ       LYS  53  10.839   3.672   9.733
  406   3HZ   LYS  53          3HZ       LYS  53  10.433   4.276   8.201
  407    H    GLY  54           H        GLY  54   8.474   5.985   4.183
  408   1HA   GLY  54          2HA       GLY  54  10.558   7.126   3.933
  409   2HA   GLY  54          1HA       GLY  54  11.165   5.772   2.997
  410    H    SER  55           H        SER  55   8.154   6.216   1.823
  411    HA   SER  55           HA       SER  55   9.120   7.778  -0.454
  412   1HB   SER  55          2HB       SER  55   7.912   5.669  -0.890
  413   2HB   SER  55          1HB       SER  55   6.488   6.319  -0.078
  414    HG   SER  55           HG       SER  55   7.229   6.616  -2.623
  415    H    LYS  56           H        LYS  56   7.019   9.059  -1.471
  416    HA   LYS  56           HA       LYS  56   6.882  11.383   0.190
  417   1HB   LYS  56          2HB       LYS  56   5.392  10.841  -2.387
  418   2HB   LYS  56          1HB       LYS  56   5.717  12.415  -1.665
  419   1HG   LYS  56          2HG       LYS  56   8.163  11.932  -1.925
  420   2HG   LYS  56          1HG       LYS  56   7.715  10.492  -2.842
  421   1HD   LYS  56          2HD       LYS  56   6.524  11.929  -4.462
  422   2HD   LYS  56          1HD       LYS  56   7.043  13.352  -3.554
  423   1HE   LYS  56          2HE       LYS  56   8.801  11.367  -4.997
  424   2HE   LYS  56          1HE       LYS  56   8.520  13.052  -5.430
  425   1HZ   LYS  56          1HZ       LYS  56   9.607  13.721  -3.372
  426   2HZ   LYS  56          2HZ       LYS  56  10.642  12.770  -4.313
  427   3HZ   LYS  56          3HZ       LYS  56   9.879  12.102  -2.962
  428    H    ALA  57           H        ALA  57   4.928   8.615  -0.010
  429    HA   ALA  57           HA       ALA  57   2.592   9.939   1.158
  430   1HB   ALA  57          1HB       ALA  57   2.195   8.196  -0.507
  431   2HB   ALA  57          2HB       ALA  57   1.545   7.721   1.063
  432   3HB   ALA  57          3HB       ALA  57   3.063   7.029   0.492
  433    H    ASP  58           H        ASP  58   5.503   8.965   2.263
  434    HA   ASP  58           HA       ASP  58   4.490   8.260   4.942
  435   1HB   ASP  58          2HB       ASP  58   5.458   6.304   3.667
  436   2HB   ASP  58          1HB       ASP  58   7.002   7.147   3.651
  437    H    ALA  59           H        ALA  59   7.053   8.304   6.219
  438    HA   ALA  59           HA       ALA  59   8.625   9.658   7.131
  439   1HB   ALA  59          1HB       ALA  59   9.575  11.501   5.870
  440   2HB   ALA  59          2HB       ALA  59   8.235  11.449   4.727
  441   3HB   ALA  59          3HB       ALA  59   9.369  10.100   4.816
  442    H    LEU  60           H        LEU  60   6.098   9.779   8.090
  443    HA   LEU  60           HA       LEU  60   5.025  12.408   8.241
  444   1HB   LEU  60          2HB       LEU  60   4.568  10.014  10.029
  445   2HB   LEU  60          1HB       LEU  60   3.645  11.504  10.103
  446    HG   LEU  60           HG       LEU  60   3.055  11.035   7.627
  447   1HD1  LEU  60          1HD1      LEU  60   3.008   8.636   7.037
  448   2HD1  LEU  60          2HD1      LEU  60   4.005   8.298   8.450
  449   3HD1  LEU  60          3HD1      LEU  60   4.637   9.297   7.143
  450   1HD2  LEU  60          1HD2      LEU  60   1.163   9.624   8.275
  451   2HD2  LEU  60          2HD2      LEU  60   1.441  10.907   9.450
  452   3HD2  LEU  60          3HD2      LEU  60   1.957   9.258   9.808
  453    H    GLU  61           H        GLU  61   7.557  10.801   9.961
  454    HA   GLU  61           HA       GLU  61   7.655  12.612  12.189
  455   1HB   GLU  61          2HB       GLU  61   9.721  10.704  11.054
  456   2HB   GLU  61          1HB       GLU  61   9.958  11.643  12.519
  457   1HG   GLU  61          2HG       GLU  61   8.003  10.514  13.527
  458   2HG   GLU  61          1HG       GLU  61   7.858   9.523  12.073
  459    H    HIS  62           H        HIS  62   7.353  14.397  10.368
  460    HA   HIS  62           HA       HIS  62   9.571  15.152   8.774
  461   1HB   HIS  62          2HB       HIS  62   7.217  15.811   8.315
  462   2HB   HIS  62          1HB       HIS  62   7.238  16.836   9.742
  463    HD1  HIS  62           HD1      HIS  62   8.116  19.177   9.454
  464    HD2  HIS  62           HD2      HIS  62   8.926  16.749   6.182
  465    HE1  HIS  62           HE1      HIS  62   8.998  20.709   7.682
  466    HE2  HIS  62           HE2      HIS  62   9.320  19.249   5.663
  467    H    HIS  63           H        HIS  63   8.647  15.732  12.053
  468    HA   HIS  63           HA       HIS  63  10.535  17.850  12.510
  469   1HB   HIS  63          2HB       HIS  63   9.849  17.694  14.854
  470   2HB   HIS  63          1HB       HIS  63   8.442  17.710  13.799
  471    HD1  HIS  63           HD1      HIS  63   6.970  15.600  13.756
  472    HD2  HIS  63           HD2      HIS  63  10.289  15.264  16.232
  473    HE1  HIS  63           HE1      HIS  63   6.612  13.503  15.080
  474    HE2  HIS  63           HE2      HIS  63   8.715  13.220  16.424
  475    H    HIS  64           H        HIS  64  10.655  14.397  12.561
  476    HA   HIS  64           HA       HIS  64  13.182  14.427  14.095
  477   1HB   HIS  64          2HB       HIS  64  11.405  13.227  15.277
  478   2HB   HIS  64          1HB       HIS  64  11.112  12.223  13.861
  479    HD1  HIS  64           HD1      HIS  64  12.064   9.973  14.156
  480    HD2  HIS  64           HD2      HIS  64  14.369  12.854  16.065
  481    HE1  HIS  64           HE1      HIS  64  13.946   8.720  15.235
  482    HE2  HIS  64           HE2      HIS  64  15.438  10.504  16.183
  483    H    HIS  65           H        HIS  65  14.813  14.357  12.650
  484    HA   HIS  65           HA       HIS  65  14.471  12.839  10.156
  485   1HB   HIS  65          2HB       HIS  65  16.652  14.805  10.884
  486   2HB   HIS  65          1HB       HIS  65  16.318  14.142   9.285
  487    HD1  HIS  65           HD1      HIS  65  15.877  17.130  11.047
  488    HD2  HIS  65           HD2      HIS  65  13.366  14.873   8.632
  489    HE1  HIS  65           HE1      HIS  65  14.068  18.697  10.315
  490    HE2  HIS  65           HE2      HIS  65  12.466  17.267   9.015
  491    H    HIS  66           H        HIS  66  16.875  13.232  12.780
  492    HA   HIS  66           HA       HIS  66  18.487  11.029  11.951
  493   1HB   HIS  66          2HB       HIS  66  19.456  12.734  13.358
  494   2HB   HIS  66          1HB       HIS  66  18.251  12.457  14.610
  495    HD1  HIS  66           HD1      HIS  66  18.840  10.791  16.383
  496    HD2  HIS  66           HD2      HIS  66  21.328  10.502  13.066
  497    HE1  HIS  66           HE1      HIS  66  20.630   9.154  17.023
  498    HE2  HIS  66           HE2      HIS  66  22.094   8.953  14.993
  499    H    HIS  67           H        HIS  67  17.461   9.110  11.720
  500    HA   HIS  67           HA       HIS  67  15.569   8.221  13.781
  501   1HB   HIS  67          2HB       HIS  67  15.089   6.377  12.052
  502   2HB   HIS  67          1HB       HIS  67  14.591   8.017  11.653
  503    HD1  HIS  67           HD1      HIS  67  17.377   5.563  10.858
  504    HD2  HIS  67           HD2      HIS  67  15.594   8.975   9.294
  505    HE1  HIS  67           HE1      HIS  67  18.385   5.863   8.580
  506    HE2  HIS  67           HE2      HIS  67  17.205   7.856   7.604
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -17.754  -7.578   8.643
    2   2H    MET   1          2H        MET   1 -16.136  -7.098   8.621
    3   3H    MET   1          3H        MET   1 -17.337  -6.028   8.097
    4    HA   MET   1           HA       MET   1 -18.274  -5.925  10.302
    5   1HB   MET   1          2HB       MET   1 -16.025  -7.836  10.943
    6   2HB   MET   1          1HB       MET   1 -16.859  -6.908  12.185
    7   1HG   MET   1          2HG       MET   1 -17.729  -9.206  11.930
    8   2HG   MET   1          1HG       MET   1 -18.953  -7.963  11.644
    9   1HE   MET   1          1HE       MET   1 -20.645  -9.461  10.364
   10   2HE   MET   1          2HE       MET   1 -19.623 -10.843  10.759
   11   3HE   MET   1          3HE       MET   1 -20.185 -10.608   9.105
   12    H    THR   2           H        THR   2 -15.122  -5.536   8.911
   13    HA   THR   2           HA       THR   2 -14.354  -3.357  10.654
   14    HB   THR   2           HB       THR   2 -12.606  -2.880   8.895
   15    HG1  THR   2           HG1      THR   2 -12.586  -3.939   7.059
   16   1HG2  THR   2          1HG2      THR   2 -11.278  -4.906   9.335
   17   2HG2  THR   2          2HG2      THR   2 -12.729  -5.739   9.896
   18   3HG2  THR   2          3HG2      THR   2 -12.104  -4.355  10.794
   19    H    ILE   3           H        ILE   3 -14.324  -1.134  10.093
   20    HA   ILE   3           HA       ILE   3 -16.565  -0.163   8.679
   21    HB   ILE   3           HB       ILE   3 -14.051   1.220   9.639
   22   1HG1  ILE   3          2HG1      ILE   3 -15.671   2.303  11.232
   23   2HG1  ILE   3          1HG1      ILE   3 -16.928   1.249  10.602
   24   1HG2  ILE   3          1HG2      ILE   3 -15.148   3.380   9.167
   25   2HG2  ILE   3          2HG2      ILE   3 -16.436   2.523   8.320
   26   3HG2  ILE   3          3HG2      ILE   3 -14.786   2.472   7.700
   27   1HD1  ILE   3          1HD1      ILE   3 -14.430   0.363  12.035
   28   2HD1  ILE   3          2HD1      ILE   3 -15.689  -0.700  11.410
   29   3HD1  ILE   3          3HD1      ILE   3 -16.056   0.429  12.712
   30    H    GLN   4           H        GLN   4 -13.386  -1.027   7.660
   31    HA   GLN   4           HA       GLN   4 -12.328  -1.123   5.686
   32   1HB   GLN   4          2HB       GLN   4 -15.193  -1.092   4.760
   33   2HB   GLN   4          1HB       GLN   4 -13.885  -1.093   3.585
   34   1HG   GLN   4          2HG       GLN   4 -14.316  -3.190   5.714
   35   2HG   GLN   4          1HG       GLN   4 -14.762  -3.346   4.016
   36   1HE2  GLN   4          1HE2      GLN   4 -12.928  -4.972   5.577
   37   2HE2  GLN   4          2HE2      GLN   4 -11.393  -4.868   4.791
   38    H    ALA   5           H        ALA   5 -11.311   0.903   6.135
   39    HA   ALA   5           HA       ALA   5 -11.481   2.734   3.978
   40   1HB   ALA   5          1HB       ALA   5 -12.142   4.766   5.179
   41   2HB   ALA   5          2HB       ALA   5 -12.459   3.809   6.626
   42   3HB   ALA   5          3HB       ALA   5 -13.435   3.563   5.181
   43    HA   PRO   6           HA       PRO   6  -7.867   4.032   6.752
   44   1HB   PRO   6          2HB       PRO   6  -7.730   3.517   9.362
   45   2HB   PRO   6          1HB       PRO   6  -8.858   4.734   8.752
   46   1HG   PRO   6          2HG       PRO   6  -9.401   1.931   9.644
   47   2HG   PRO   6          1HG       PRO   6 -10.375   3.392   9.879
   48   1HD   PRO   6          2HD       PRO   6 -10.753   1.446   7.876
   49   2HD   PRO   6          1HD       PRO   6 -11.483   3.063   7.919
   50    H    GLU   7           H        GLU   7  -8.381   1.260   5.723
   51    HA   GLU   7           HA       GLU   7  -6.507  -0.376   7.258
   52   1HB   GLU   7          2HB       GLU   7  -8.406  -1.055   5.008
   53   2HB   GLU   7          1HB       GLU   7  -7.271  -2.211   5.699
   54   1HG   GLU   7          2HG       GLU   7  -8.319  -1.980   7.879
   55   2HG   GLU   7          1HG       GLU   7  -9.409  -0.750   7.246
   56    H    THR   8           H        THR   8  -4.596   0.585   6.781
   57    HA   THR   8           HA       THR   8  -3.571   0.255   4.035
   58    HB   THR   8           HB       THR   8  -2.970   2.541   5.940
   59    HG1  THR   8           HG1      THR   8  -4.226   3.746   4.632
   60   1HG2  THR   8          1HG2      THR   8  -0.982   1.897   4.644
   61   2HG2  THR   8          2HG2      THR   8  -1.599   3.470   4.137
   62   3HG2  THR   8          3HG2      THR   8  -1.907   2.041   3.150
   63    H    LYS   9           H        LYS   9  -1.329  -0.300   3.860
   64    HA   LYS   9           HA       LYS   9  -0.179  -1.411   6.346
   65   1HB   LYS   9          2HB       LYS   9  -0.106  -2.589   3.553
   66   2HB   LYS   9          1HB       LYS   9   0.799  -3.221   4.924
   67   1HG   LYS   9          2HG       LYS   9  -1.272  -3.719   6.097
   68   2HG   LYS   9          1HG       LYS   9  -2.208  -3.020   4.775
   69   1HD   LYS   9          2HD       LYS   9  -1.327  -4.741   3.251
   70   2HD   LYS   9          1HD       LYS   9  -0.401  -5.442   4.579
   71   1HE   LYS   9          2HE       LYS   9  -2.504  -5.902   5.781
   72   2HE   LYS   9          1HE       LYS   9  -3.412  -5.230   4.428
   73   1HZ   LYS   9          1HZ       LYS   9  -3.266  -7.691   4.441
   74   2HZ   LYS   9          2HZ       LYS   9  -1.595  -7.571   4.201
   75   3HZ   LYS   9          3HZ       LYS   9  -2.661  -6.996   3.024
   76    H    ILE  10           H        ILE  10   1.799  -0.731   6.843
   77    HA   ILE  10           HA       ILE  10   3.212   1.019   4.967
   78    HB   ILE  10           HB       ILE  10   3.900   0.433   7.859
   79   1HG1  ILE  10          2HG1      ILE  10   1.640   1.391   7.686
   80   2HG1  ILE  10          1HG1      ILE  10   2.763   2.540   8.404
   81   1HG2  ILE  10          1HG2      ILE  10   5.177   2.518   7.733
   82   2HG2  ILE  10          2HG2      ILE  10   4.735   2.694   6.034
   83   3HG2  ILE  10          3HG2      ILE  10   5.752   1.344   6.546
   84   1HD1  ILE  10          1HD1      ILE  10   1.256   3.622   6.844
   85   2HD1  ILE  10          2HD1      ILE  10   1.803   2.559   5.550
   86   3HD1  ILE  10          3HD1      ILE  10   2.922   3.718   6.272
   87    H    VAL  11           H        VAL  11   4.373  -0.183   3.532
   88    HA   VAL  11           HA       VAL  11   5.827  -2.559   4.484
   89    HB   VAL  11           HB       VAL  11   6.030  -3.181   2.110
   90   1HG1  VAL  11          1HG1      VAL  11   4.080  -3.933   3.393
   91   2HG1  VAL  11          2HG1      VAL  11   3.664  -3.667   1.700
   92   3HG1  VAL  11          3HG1      VAL  11   3.202  -2.480   2.920
   93   1HG2  VAL  11          1HG2      VAL  11   6.125  -0.951   1.124
   94   2HG2  VAL  11          2HG2      VAL  11   4.448  -0.655   1.589
   95   3HG2  VAL  11          3HG2      VAL  11   4.828  -1.890   0.387
   96    H    ASP  12           H        ASP  12   7.978  -2.996   3.747
   97    HA   ASP  12           HA       ASP  12   9.670  -0.624   3.611
   98   1HB   ASP  12          2HB       ASP  12  10.397  -3.556   3.863
   99   2HB   ASP  12          1HB       ASP  12  11.525  -2.210   3.985
  100    H    LYS  13           H        LYS  13   8.724  -3.352   1.610
  101    HA   LYS  13           HA       LYS  13  10.753  -2.782  -0.405
  102   1HB   LYS  13          2HB       LYS  13   8.636  -4.932  -0.233
  103   2HB   LYS  13          1HB       LYS  13   9.783  -4.779  -1.560
  104   1HG   LYS  13          2HG       LYS  13  11.633  -5.089   0.054
  105   2HG   LYS  13          1HG       LYS  13  10.445  -5.326   1.334
  106   1HD   LYS  13          2HD       LYS  13   9.557  -7.283   0.174
  107   2HD   LYS  13          1HD       LYS  13  10.695  -7.032  -1.151
  108   1HE   LYS  13          2HE       LYS  13  11.473  -8.789   0.359
  109   2HE   LYS  13          1HE       LYS  13  12.568  -7.408   0.371
  110   1HZ   LYS  13          1HZ       LYS  13  10.478  -7.922   2.413
  111   2HZ   LYS  13          2HZ       LYS  13  11.626  -6.683   2.442
  112   3HZ   LYS  13          3HZ       LYS  13  12.115  -8.290   2.597
  113    H    SER  14           H        SER  14  10.326  -2.247  -2.549
  114    HA   SER  14           HA       SER  14   7.918  -0.759  -3.103
  115   1HB   SER  14          2HB       SER  14  10.170  -1.558  -4.976
  116   2HB   SER  14          1HB       SER  14   8.917  -0.367  -5.316
  117    HG   SER  14           HG       SER  14  10.511   0.871  -4.594
  118    H    ARG  15           H        ARG  15   9.127  -3.968  -3.730
  119    HA   ARG  15           HA       ARG  15   6.893  -4.664  -5.480
  120   1HB   ARG  15          2HB       ARG  15   9.181  -6.313  -4.379
  121   2HB   ARG  15          1HB       ARG  15   7.954  -6.926  -5.482
  122   1HG   ARG  15          2HG       ARG  15   8.693  -5.476  -7.228
  123   2HG   ARG  15          1HG       ARG  15   9.769  -4.614  -6.129
  124   1HD   ARG  15          2HD       ARG  15  11.020  -6.170  -7.537
  125   2HD   ARG  15          1HD       ARG  15  11.109  -6.642  -5.842
  126    HE   ARG  15           HE       ARG  15   9.057  -7.932  -7.450
  127   1HH1  ARG  15          1HH1      ARG  15  12.193  -8.135  -6.030
  128   2HH1  ARG  15          2HH1      ARG  15  12.272  -9.855  -6.219
  129   1HH2  ARG  15          1HH2      ARG  15   9.171 -10.132  -7.642
  130   2HH2  ARG  15          2HH2      ARG  15  10.589 -10.962  -7.104
  131    H    VAL  16           H        VAL  16   4.987  -4.957  -4.479
  132    HA   VAL  16           HA       VAL  16   4.967  -6.255  -1.823
  133    HB   VAL  16           HB       VAL  16   2.923  -4.335  -2.961
  134   1HG1  VAL  16          1HG1      VAL  16   1.999  -4.314  -0.675
  135   2HG1  VAL  16          2HG1      VAL  16   3.151  -5.564  -0.207
  136   3HG1  VAL  16          3HG1      VAL  16   1.910  -5.915  -1.410
  137   1HG2  VAL  16          1HG2      VAL  16   3.786  -2.741  -1.290
  138   2HG2  VAL  16          2HG2      VAL  16   5.008  -3.183  -2.481
  139   3HG2  VAL  16          3HG2      VAL  16   5.057  -3.886  -0.864
  140    H    ALA  17           H        ALA  17   4.235  -8.289  -1.859
  141    HA   ALA  17           HA       ALA  17   2.487  -9.284  -3.921
  142   1HB   ALA  17          1HB       ALA  17   4.189 -10.719  -2.877
  143   2HB   ALA  17          2HB       ALA  17   2.570 -11.391  -2.702
  144   3HB   ALA  17          3HB       ALA  17   3.346 -10.592  -1.333
  145    H    CYS  18           H        CYS  18   0.436  -8.551  -3.927
  146    HA   CYS  18           HA       CYS  18  -0.811  -7.482  -1.600
  147   1HB   CYS  18          2HB       CYS  18  -1.976  -8.051  -4.329
  148   2HB   CYS  18          1HB       CYS  18  -2.747  -7.084  -3.076
  149    HG   CYS  18           HG       CYS  18   0.343  -6.058  -3.871
  150    H    ASP  19           H        ASP  19  -0.844  -9.261  -0.155
  151    HA   ASP  19           HA       ASP  19  -1.684 -11.134   0.861
  152   1HB   ASP  19          2HB       ASP  19  -4.173  -9.682  -0.046
  153   2HB   ASP  19          1HB       ASP  19  -4.184 -10.992   1.132
  154    H    GLY  20           H        GLY  20  -0.708 -12.457  -0.956
  155   1HA   GLY  20          2HA       GLY  20  -2.765 -14.255  -1.928
  156   2HA   GLY  20          1HA       GLY  20  -1.921 -13.363  -3.181
  157    H    GLY  21           H        GLY  21  -2.072 -16.197  -2.726
  158   1HA   GLY  21          2HA       GLY  21   0.694 -16.850  -3.133
  159   2HA   GLY  21          1HA       GLY  21   0.060 -17.501  -1.624
  160    H    GLU  22           H        GLU  22  -0.163 -19.663  -2.045
  161    HA   GLU  22           HA       GLU  22  -1.442 -20.554  -4.502
  162   1HB   GLU  22          2HB       GLU  22  -0.331 -22.036  -2.114
  163   2HB   GLU  22          1HB       GLU  22  -1.130 -22.844  -3.457
  164   1HG   GLU  22          2HG       GLU  22   0.551 -22.169  -4.987
  165   2HG   GLU  22          1HG       GLU  22   1.255 -21.047  -3.826
  166    H    GLY  23           H        GLY  23  -3.561 -20.644  -4.718
  167   1HA   GLY  23          2HA       GLY  23  -5.814 -20.584  -4.227
  168   2HA   GLY  23          1HA       GLY  23  -5.416 -22.063  -3.384
  169    H    ALA  24           H        ALA  24  -5.282 -22.053  -1.118
  170    HA   ALA  24           HA       ALA  24  -7.201 -20.383   0.113
  171   1HB   ALA  24          1HB       ALA  24  -6.679 -21.580   2.160
  172   2HB   ALA  24          2HB       ALA  24  -5.201 -22.215   1.436
  173   3HB   ALA  24          3HB       ALA  24  -6.773 -22.697   0.800
  174    H    LEU  25           H        LEU  25  -3.832 -19.904  -0.335
  175    HA   LEU  25           HA       LEU  25  -3.411 -18.229   1.972
  176   1HB   LEU  25          2HB       LEU  25  -1.732 -18.571  -0.520
  177   2HB   LEU  25          1HB       LEU  25  -1.225 -17.736   0.940
  178    HG   LEU  25           HG       LEU  25  -1.861 -20.690   0.724
  179   1HD1  LEU  25          1HD1      LEU  25   0.237 -20.107  -0.351
  180   2HD1  LEU  25          2HD1      LEU  25   0.530 -21.000   1.139
  181   3HD1  LEU  25          3HD1      LEU  25   0.769 -19.253   1.098
  182   1HD2  LEU  25          1HD2      LEU  25  -1.042 -20.828   3.035
  183   2HD2  LEU  25          2HD2      LEU  25  -2.484 -19.821   2.912
  184   3HD2  LEU  25          3HD2      LEU  25  -0.898 -19.069   3.088
  185    H    GLY  26           H        GLY  26  -5.122 -17.693  -0.812
  186   1HA   GLY  26          2HA       GLY  26  -6.197 -15.405  -0.711
  187   2HA   GLY  26          1HA       GLY  26  -4.558 -14.780  -0.788
  188    H    HIS  27           H        HIS  27  -4.311 -13.848  -2.728
  189    HA   HIS  27           HA       HIS  27  -5.597 -14.960  -5.115
  190   1HB   HIS  27          2HB       HIS  27  -3.601 -12.705  -5.159
  191   2HB   HIS  27          1HB       HIS  27  -5.010 -12.958  -6.188
  192    HD1  HIS  27           HD1      HIS  27  -3.897 -11.306  -3.129
  193    HD2  HIS  27           HD2      HIS  27  -7.535 -12.385  -4.821
  194    HE1  HIS  27           HE1      HIS  27  -5.622 -10.098  -1.811
  195    HE2  HIS  27           HE2      HIS  27  -7.807 -10.611  -2.958
  196    HA   PRO  28           HA       PRO  28  -2.207 -17.454  -6.557
  197   1HB   PRO  28          2HB       PRO  28  -2.496 -16.314  -9.285
  198   2HB   PRO  28          1HB       PRO  28  -2.670 -17.986  -8.733
  199   1HG   PRO  28          2HG       PRO  28  -4.807 -16.542  -9.412
  200   2HG   PRO  28          1HG       PRO  28  -4.865 -17.666  -8.041
  201   1HD   PRO  28          2HD       PRO  28  -4.552 -14.676  -8.026
  202   2HD   PRO  28          1HD       PRO  28  -5.569 -15.705  -6.991
  203    H    ARG  29           H        ARG  29  -0.921 -15.602  -5.292
  204    HA   ARG  29           HA       ARG  29   0.870 -14.320  -5.021
  205   1HB   ARG  29          2HB       ARG  29   1.819 -16.548  -5.804
  206   2HB   ARG  29          1HB       ARG  29   2.085 -15.760  -7.351
  207   1HG   ARG  29          2HG       ARG  29   4.104 -15.626  -6.084
  208   2HG   ARG  29          1HG       ARG  29   3.420 -14.012  -6.162
  209   1HD   ARG  29          2HD       ARG  29   2.472 -14.300  -3.929
  210   2HD   ARG  29          1HD       ARG  29   3.127 -15.931  -3.846
  211    HE   ARG  29           HE       ARG  29   4.962 -13.673  -4.169
  212   1HH1  ARG  29          1HH1      ARG  29   3.788 -16.313  -2.302
  213   2HH1  ARG  29          2HH1      ARG  29   4.997 -16.140  -1.083
  214   1HH2  ARG  29          1HH2      ARG  29   6.535 -13.467  -2.581
  215   2HH2  ARG  29          2HH2      ARG  29   6.518 -14.533  -1.226
  216    H    VAL  30           H        VAL  30  -0.124 -12.496  -5.560
  217    HA   VAL  30           HA       VAL  30   0.345 -11.369  -8.247
  218    HB   VAL  30           HB       VAL  30  -1.368  -9.651  -7.637
  219   1HG1  VAL  30          1HG1      VAL  30  -2.262 -12.538  -7.496
  220   2HG1  VAL  30          2HG1      VAL  30  -1.960 -11.607  -8.966
  221   3HG1  VAL  30          3HG1      VAL  30  -3.290 -11.163  -7.898
  222   1HG2  VAL  30          1HG2      VAL  30  -2.841 -10.098  -5.705
  223   2HG2  VAL  30          2HG2      VAL  30  -1.188  -9.744  -5.208
  224   3HG2  VAL  30          3HG2      VAL  30  -1.772 -11.407  -5.204
  225    H    TRP  31           H        TRP  31   2.066 -10.098  -8.453
  226    HA   TRP  31           HA       TRP  31   3.052  -8.562  -6.140
  227   1HB   TRP  31          2HB       TRP  31   4.383  -9.334  -8.745
  228   2HB   TRP  31          1HB       TRP  31   5.114  -8.256  -7.561
  229    HD1  TRP  31           HD       TRP  31   4.381 -11.932  -8.219
  230    HE1  TRP  31           HE1      TRP  31   5.630 -13.347  -6.471
  231    HE3  TRP  31           HE3      TRP  31   5.943  -8.183  -5.105
  232    HZ2  TRP  31           HZ2      TRP  31   7.070 -12.931  -4.078
  233    HZ3  TRP  31           HZ3      TRP  31   7.254  -8.778  -3.106
  234    HH2  TRP  31           HH       TRP  31   7.805 -11.107  -2.607
  235    H    LEU  32           H        LEU  32   2.643  -6.435  -6.033
  236    HA   LEU  32           HA       LEU  32   2.330  -4.926  -8.556
  237   1HB   LEU  32          2HB       LEU  32   1.004  -4.547  -5.873
  238   2HB   LEU  32          1HB       LEU  32   1.106  -3.232  -7.026
  239    HG   LEU  32           HG       LEU  32  -0.125  -4.687  -8.679
  240   1HD1  LEU  32          1HD1      LEU  32  -1.409  -6.587  -7.807
  241   2HD1  LEU  32          2HD1      LEU  32  -0.563  -6.449  -6.266
  242   3HD1  LEU  32          3HD1      LEU  32   0.327  -6.869  -7.727
  243   1HD2  LEU  32          1HD2      LEU  32  -2.319  -4.314  -7.668
  244   2HD2  LEU  32          2HD2      LEU  32  -1.257  -2.928  -7.432
  245   3HD2  LEU  32          3HD2      LEU  32  -1.558  -4.046  -6.100
  246    H    GLN  33           H        GLN  33   3.640  -3.227  -8.923
  247    HA   GLN  33           HA       GLN  33   5.785  -2.685  -7.006
  248   1HB   GLN  33          2HB       GLN  33   6.514  -3.169  -9.235
  249   2HB   GLN  33          1HB       GLN  33   5.393  -2.009  -9.929
  250   1HG   GLN  33          2HG       GLN  33   7.575  -1.080 -10.039
  251   2HG   GLN  33          1HG       GLN  33   6.677  -0.191  -8.818
  252   1HE2  GLN  33          1HE2      GLN  33   8.088  -3.375  -8.311
  253   2HE2  GLN  33          2HE2      GLN  33   9.289  -2.850  -7.188
  254    H    ILE  34           H        ILE  34   5.544  -1.040  -5.615
  255    HA   ILE  34           HA       ILE  34   3.557   0.940  -5.756
  256    HB   ILE  34           HB       ILE  34   6.124   0.880  -4.160
  257   1HG1  ILE  34          2HG1      ILE  34   3.255   0.276  -3.384
  258   2HG1  ILE  34          1HG1      ILE  34   4.500  -0.931  -3.678
  259   1HG2  ILE  34          1HG2      ILE  34   5.122   2.620  -2.744
  260   2HG2  ILE  34          2HG2      ILE  34   3.758   2.735  -3.854
  261   3HG2  ILE  34          3HG2      ILE  34   5.373   3.190  -4.394
  262   1HD1  ILE  34          1HD1      ILE  34   4.541   1.138  -1.496
  263   2HD1  ILE  34          2HD1      ILE  34   5.762  -0.105  -1.776
  264   3HD1  ILE  34          3HD1      ILE  34   4.126  -0.564  -1.307
  265    HA   PRO  35           HA       PRO  35   5.608   3.706  -8.661
  266   1HB   PRO  35          2HB       PRO  35   3.579   5.401  -9.036
  267   2HB   PRO  35          1HB       PRO  35   3.495   3.737  -9.631
  268   1HG   PRO  35          2HG       PRO  35   2.311   4.914  -7.139
  269   2HG   PRO  35          1HG       PRO  35   1.548   3.847  -8.327
  270   1HD   PRO  35          2HD       PRO  35   2.617   2.973  -5.955
  271   2HD   PRO  35          1HD       PRO  35   2.493   1.959  -7.407
  272    H    GLU  36           H        GLU  36   6.826   5.560  -8.422
  273    HA   GLU  36           HA       GLU  36   7.045   6.757  -5.838
  274   1HB   GLU  36          2HB       GLU  36   8.987   6.492  -7.323
  275   2HB   GLU  36          1HB       GLU  36   8.273   7.622  -8.470
  276   1HG   GLU  36          2HG       GLU  36   8.397   9.400  -6.779
  277   2HG   GLU  36          1HG       GLU  36   9.132   8.265  -5.650
  278    H    ASP  37           H        ASP  37   5.364   7.637  -8.767
  279    HA   ASP  37           HA       ASP  37   4.961  10.373  -8.272
  280   1HB   ASP  37          2HB       ASP  37   2.946  10.065  -9.804
  281   2HB   ASP  37          1HB       ASP  37   4.514   9.598 -10.454
  282    H    THR  38           H        THR  38   3.404   7.580  -6.891
  283    HA   THR  38           HA       THR  38   1.510   9.332  -5.444
  284    HB   THR  38           HB       THR  38   0.207   7.351  -4.909
  285    HG1  THR  38           HG1      THR  38   0.892   5.308  -5.840
  286   1HG2  THR  38          1HG2      THR  38  -0.269   8.399  -7.070
  287   2HG2  THR  38          2HG2      THR  38  -0.508   6.651  -7.150
  288   3HG2  THR  38          3HG2      THR  38   0.944   7.375  -7.840
  289    H    GLY  39           H        GLY  39   3.604   6.497  -4.939
  290   1HA   GLY  39          2HA       GLY  39   5.135   6.256  -3.119
  291   2HA   GLY  39          1HA       GLY  39   4.179   7.402  -2.188
  292    H    TRP  40           H        TRP  40   2.083   5.389  -3.746
  293    HA   TRP  40           HA       TRP  40   2.061   3.231  -1.810
  294   1HB   TRP  40          2HB       TRP  40  -0.306   3.759  -1.100
  295   2HB   TRP  40          1HB       TRP  40   0.911   4.884  -0.505
  296    HD1  TRP  40           HD       TRP  40   0.632   7.396  -1.129
  297    HE1  TRP  40           HE1      TRP  40  -1.093   8.740  -2.475
  298    HE3  TRP  40           HE3      TRP  40  -1.946   3.519  -3.246
  299    HZ2  TRP  40           HZ2      TRP  40  -3.255   8.230  -4.199
  300    HZ3  TRP  40           HZ3      TRP  40  -3.824   4.039  -4.739
  301    HH2  TRP  40           HH       TRP  40  -4.467   6.345  -5.204
  302    H    VAL  41           H        VAL  41   0.385   1.617  -2.274
  303    HA   VAL  41           HA       VAL  41  -1.048   1.933  -4.808
  304    HB   VAL  41           HB       VAL  41   1.004   0.737  -5.422
  305   1HG1  VAL  41          1HG1      VAL  41   1.529  -1.478  -4.541
  306   2HG1  VAL  41          2HG1      VAL  41   0.153  -1.384  -3.442
  307   3HG1  VAL  41          3HG1      VAL  41   1.512  -0.278  -3.247
  308   1HG2  VAL  41          1HG2      VAL  41  -1.404  -1.094  -5.450
  309   2HG2  VAL  41          2HG2      VAL  41  -0.008  -1.191  -6.526
  310   3HG2  VAL  41          3HG2      VAL  41  -1.084   0.206  -6.604
  311    H    GLU  42           H        GLU  42  -3.141   1.570  -4.386
  312    HA   GLU  42           HA       GLU  42  -3.851  -0.339  -2.266
  313   1HB   GLU  42          2HB       GLU  42  -6.146   0.649  -2.436
  314   2HB   GLU  42          1HB       GLU  42  -4.899   1.766  -1.913
  315   1HG   GLU  42          2HG       GLU  42  -4.796   2.612  -4.277
  316   2HG   GLU  42          1HG       GLU  42  -6.222   1.630  -4.612
  317    H    CYS  43           H        CYS  43  -4.178  -2.339  -2.905
  318    HA   CYS  43           HA       CYS  43  -4.240  -2.910  -5.723
  319   1HB   CYS  43          2HB       CYS  43  -2.856  -4.244  -4.246
  320   2HB   CYS  43          1HB       CYS  43  -4.269  -4.745  -3.325
  321    HG   CYS  43           HG       CYS  43  -2.905  -6.207  -5.869
  322    HA   PRO  44           HA       PRO  44  -8.686  -3.507  -6.087
  323   1HB   PRO  44          2HB       PRO  44  -8.665  -4.599  -8.582
  324   2HB   PRO  44          1HB       PRO  44  -8.453  -2.868  -8.289
  325   1HG   PRO  44          2HG       PRO  44  -6.366  -4.972  -8.787
  326   2HG   PRO  44          1HG       PRO  44  -6.501  -3.344  -9.487
  327   1HD   PRO  44          2HD       PRO  44  -4.824  -3.887  -7.445
  328   2HD   PRO  44          1HD       PRO  44  -5.651  -2.321  -7.595
  329    H    TYR  45           H        TYR  45  -6.239  -5.937  -6.141
  330    HA   TYR  45           HA       TYR  45  -8.071  -8.180  -6.286
  331   1HB   TYR  45          2HB       TYR  45  -5.100  -8.120  -5.688
  332   2HB   TYR  45          1HB       TYR  45  -6.055  -9.567  -5.998
  333    HD1  TYR  45           HD2      TYR  45  -7.067  -9.888  -8.290
  334    HD2  TYR  45           HD1      TYR  45  -4.223  -6.821  -7.477
  335    HE1  TYR  45           HE2      TYR  45  -6.626  -9.660 -10.698
  336    HE2  TYR  45           HE1      TYR  45  -3.782  -6.586  -9.880
  337    HH   TYR  45           HH       TYR  45  -5.766  -7.940 -12.256
  338    H    CYS  46           H        CYS  46  -6.070  -6.616  -3.780
  339    HA   CYS  46           HA       CYS  46  -7.186  -8.414  -1.738
  340   1HB   CYS  46          2HB       CYS  46  -5.481  -7.543  -0.252
  341   2HB   CYS  46          1HB       CYS  46  -4.734  -7.994  -1.783
  342    HG   CYS  46           HG       CYS  46  -3.387  -5.784  -1.539
  343    H    ASP  47           H        ASP  47  -7.606  -5.239  -2.947
  344    HA   ASP  47           HA       ASP  47  -9.052  -3.563  -2.423
  345   1HB   ASP  47          2HB       ASP  47 -10.559  -5.573  -1.933
  346   2HB   ASP  47          1HB       ASP  47 -10.173  -5.322  -0.236
  347    H    CYS  48           H        CYS  48  -6.447  -4.097  -0.927
  348    HA   CYS  48           HA       CYS  48  -6.940  -2.278   1.353
  349   1HB   CYS  48          2HB       CYS  48  -6.326  -4.511   2.163
  350   2HB   CYS  48          1HB       CYS  48  -4.872  -4.482   1.172
  351    HG   CYS  48           HG       CYS  48  -5.503  -2.381   3.805
  352    H    LYS  49           H        LYS  49  -5.206  -0.803   1.909
  353    HA   LYS  49           HA       LYS  49  -3.800   0.113  -0.507
  354   1HB   LYS  49          2HB       LYS  49  -5.363   1.632   0.803
  355   2HB   LYS  49          1HB       LYS  49  -4.164   1.621   2.088
  356   1HG   LYS  49          2HG       LYS  49  -2.505   2.522   0.432
  357   2HG   LYS  49          1HG       LYS  49  -3.839   2.697  -0.708
  358   1HD   LYS  49          2HD       LYS  49  -3.494   4.089   1.948
  359   2HD   LYS  49          1HD       LYS  49  -3.475   4.819   0.345
  360   1HE   LYS  49          2HE       LYS  49  -5.843   3.577   1.750
  361   2HE   LYS  49          1HE       LYS  49  -5.588   5.286   1.415
  362   1HZ   LYS  49          1HZ       LYS  49  -5.630   4.680  -0.998
  363   2HZ   LYS  49          2HZ       LYS  49  -7.092   4.464  -0.187
  364   3HZ   LYS  49          3HZ       LYS  49  -6.129   3.128  -0.542
  365    H    TYR  50           H        TYR  50  -1.589   0.161  -0.655
  366    HA   TYR  50           HA       TYR  50  -0.032  -0.570   1.757
  367   1HB   TYR  50          2HB       TYR  50   0.738  -1.006  -1.140
  368   2HB   TYR  50          1HB       TYR  50   1.636  -1.544   0.273
  369    HD1  TYR  50           HD1      TYR  50   0.650  -3.351   1.734
  370    HD2  TYR  50           HD2      TYR  50  -1.029  -2.302  -2.040
  371    HE1  TYR  50           HE1      TYR  50  -0.551  -5.497   1.670
  372    HE2  TYR  50           HE2      TYR  50  -2.232  -4.439  -2.106
  373    HH   TYR  50           HH       TYR  50  -2.531  -6.485   0.587
  374    H    VAL  51           H        VAL  51   0.956   1.199   2.582
  375    HA   VAL  51           HA       VAL  51   1.988   3.257   0.740
  376    HB   VAL  51           HB       VAL  51   1.611   3.267   3.740
  377   1HG1  VAL  51          1HG1      VAL  51   3.698   4.433   3.303
  378   2HG1  VAL  51          2HG1      VAL  51   2.440   5.601   3.712
  379   3HG1  VAL  51          3HG1      VAL  51   2.934   5.386   2.032
  380   1HG2  VAL  51          1HG2      VAL  51   0.070   5.110   3.264
  381   2HG2  VAL  51          2HG2      VAL  51  -0.395   3.653   2.387
  382   3HG2  VAL  51          3HG2      VAL  51   0.420   4.965   1.540
  383    H    LEU  52           H        LEU  52   4.069   3.430   0.231
  384    HA   LEU  52           HA       LEU  52   6.017   1.608   1.312
  385   1HB   LEU  52          2HB       LEU  52   5.989   2.221  -1.070
  386   2HB   LEU  52          1HB       LEU  52   6.330   3.888  -0.651
  387    HG   LEU  52           HG       LEU  52   8.534   3.217   0.230
  388   1HD1  LEU  52          1HD1      LEU  52   7.799   0.459  -0.749
  389   2HD1  LEU  52          2HD1      LEU  52   7.992   0.947   0.936
  390   3HD1  LEU  52          3HD1      LEU  52   9.382   0.958  -0.151
  391   1HD2  LEU  52          1HD2      LEU  52   9.590   2.729  -1.906
  392   2HD2  LEU  52          2HD2      LEU  52   8.301   3.910  -2.117
  393   3HD2  LEU  52          3HD2      LEU  52   8.038   2.231  -2.583
  394    H    LYS  53           H        LYS  53   7.017   1.955   3.169
  395    HA   LYS  53           HA       LYS  53   7.024   4.397   4.579
  396   1HB   LYS  53          2HB       LYS  53   7.188   2.182   5.636
  397   2HB   LYS  53          1HB       LYS  53   8.782   1.961   4.933
  398   1HG   LYS  53          2HG       LYS  53   9.690   3.736   6.292
  399   2HG   LYS  53          1HG       LYS  53   8.084   4.143   6.902
  400   1HD   LYS  53          2HD       LYS  53   9.420   2.790   8.502
  401   2HD   LYS  53          1HD       LYS  53   7.914   2.006   8.021
  402   1HE   LYS  53          2HE       LYS  53   9.256   0.750   6.287
  403   2HE   LYS  53          1HE       LYS  53  10.708   1.390   7.060
  404   1HZ   LYS  53          1HZ       LYS  53   8.650  -0.267   8.416
  405   2HZ   LYS  53          2HZ       LYS  53  10.108   0.269   9.086
  406   3HZ   LYS  53          3HZ       LYS  53  10.121  -0.848   7.816
  407    H    GLY  54           H        GLY  54   8.257   6.153   4.346
  408   1HA   GLY  54          2HA       GLY  54  10.233   7.381   4.069
  409   2HA   GLY  54          1HA       GLY  54  11.012   5.960   3.396
  410    H    SER  55           H        SER  55   7.949   6.646   2.012
  411    HA   SER  55           HA       SER  55   9.289   7.691  -0.410
  412   1HB   SER  55          2HB       SER  55   7.596   6.669  -1.722
  413   2HB   SER  55          1HB       SER  55   7.990   5.478  -0.482
  414    HG   SER  55           HG       SER  55   6.027   5.630   0.261
  415    H    LYS  56           H        LYS  56   7.148   8.623  -1.818
  416    HA   LYS  56           HA       LYS  56   6.719  11.224  -0.838
  417   1HB   LYS  56          2HB       LYS  56   6.690  10.687  -3.223
  418   2HB   LYS  56          1HB       LYS  56   5.267   9.679  -3.007
  419   1HG   LYS  56          2HG       LYS  56   3.962  11.664  -2.375
  420   2HG   LYS  56          1HG       LYS  56   5.393  12.669  -2.611
  421   1HD   LYS  56          2HD       LYS  56   5.461  12.031  -4.978
  422   2HD   LYS  56          1HD       LYS  56   4.050  10.994  -4.745
  423   1HE   LYS  56          2HE       LYS  56   2.715  12.965  -4.135
  424   2HE   LYS  56          1HE       LYS  56   4.124  13.996  -4.383
  425   1HZ   LYS  56          1HZ       LYS  56   4.154  13.342  -6.701
  426   2HZ   LYS  56          2HZ       LYS  56   2.654  14.008  -6.295
  427   3HZ   LYS  56          3HZ       LYS  56   2.816  12.338  -6.465
  428    H    ALA  57           H        ALA  57   5.026   8.280  -0.227
  429    HA   ALA  57           HA       ALA  57   2.607   9.640   0.719
  430   1HB   ALA  57          1HB       ALA  57   2.382   7.589  -0.618
  431   2HB   ALA  57          2HB       ALA  57   1.667   7.420   0.985
  432   3HB   ALA  57          3HB       ALA  57   3.235   6.688   0.635
  433    H    ASP  58           H        ASP  58   5.561   9.061   2.006
  434    HA   ASP  58           HA       ASP  58   4.500   8.749   4.741
  435   1HB   ASP  58          2HB       ASP  58   5.484   6.617   3.877
  436   2HB   ASP  58          1HB       ASP  58   7.022   7.445   3.685
  437    H    ALA  59           H        ALA  59   6.372   9.313   6.373
  438    HA   ALA  59           HA       ALA  59   7.606  10.954   7.329
  439   1HB   ALA  59          1HB       ALA  59   9.397  11.996   6.060
  440   2HB   ALA  59          2HB       ALA  59   8.671  11.463   4.546
  441   3HB   ALA  59          3HB       ALA  59   9.308  10.275   5.683
  442    H    LEU  60           H        LEU  60   5.599  12.029   7.781
  443    HA   LEU  60           HA       LEU  60   4.397  13.918   6.046
  444   1HB   LEU  60          2HB       LEU  60   4.183  13.713   9.054
  445   2HB   LEU  60          1HB       LEU  60   3.082  14.582   8.002
  446    HG   LEU  60           HG       LEU  60   3.497  11.583   8.009
  447   1HD1  LEU  60          1HD1      LEU  60   1.193  13.239   9.037
  448   2HD1  LEU  60          2HD1      LEU  60   2.362  12.361  10.022
  449   3HD1  LEU  60          3HD1      LEU  60   1.253  11.477   8.975
  450   1HD2  LEU  60          1HD2      LEU  60   2.909  12.421   5.795
  451   2HD2  LEU  60          2HD2      LEU  60   1.530  13.283   6.474
  452   3HD2  LEU  60          3HD2      LEU  60   1.567  11.520   6.503
  453    H    GLU  61           H        GLU  61   6.119  14.553   9.112
  454    HA   GLU  61           HA       GLU  61   6.480  17.316   8.534
  455   1HB   GLU  61          2HB       GLU  61   8.133  17.127  10.539
  456   2HB   GLU  61          1HB       GLU  61   6.411  16.916  10.803
  457   1HG   GLU  61          2HG       GLU  61   7.541  15.262  12.073
  458   2HG   GLU  61          1HG       GLU  61   6.765  14.444  10.723
  459    H    HIS  62           H        HIS  62   8.458  14.488   7.964
  460    HA   HIS  62           HA       HIS  62   9.940  14.135   6.290
  461   1HB   HIS  62          2HB       HIS  62   8.651  15.880   5.032
  462   2HB   HIS  62          1HB       HIS  62   9.763  17.094   5.654
  463    HD1  HIS  62           HD1      HIS  62  11.801  17.514   4.279
  464    HD2  HIS  62           HD2      HIS  62  10.007  13.880   3.362
  465    HE1  HIS  62           HE1      HIS  62  13.041  16.639   2.283
  466    HE2  HIS  62           HE2      HIS  62  11.830  14.526   1.645
  467    H    HIS  63           H        HIS  63  10.632  15.212   9.096
  468    HA   HIS  63           HA       HIS  63  13.220  16.398   8.629
  469   1HB   HIS  63          2HB       HIS  63  11.796  16.844  10.686
  470   2HB   HIS  63          1HB       HIS  63  12.255  15.243  11.250
  471    HD1  HIS  63           HD1      HIS  63  14.561  14.989  12.279
  472    HD2  HIS  63           HD2      HIS  63  13.914  18.748  10.637
  473    HE1  HIS  63           HE1      HIS  63  16.473  16.403  13.074
  474    HE2  HIS  63           HE2      HIS  63  15.968  18.709  12.206
  475    H    HIS  64           H        HIS  64  11.954  13.246   8.700
  476    HA   HIS  64           HA       HIS  64  14.473  11.889   9.104
  477   1HB   HIS  64          2HB       HIS  64  12.275  10.807   9.575
  478   2HB   HIS  64          1HB       HIS  64  11.897  10.867   7.857
  479    HD1  HIS  64           HD1      HIS  64  11.933   8.477   7.191
  480    HD2  HIS  64           HD2      HIS  64  15.234   9.492   9.501
  481    HE1  HIS  64           HE1      HIS  64  13.395   6.437   7.211
  482    HE2  HIS  64           HE2      HIS  64  15.452   7.131   8.473
  483    H    HIS  65           H        HIS  65  15.992  12.580   7.660
  484    HA   HIS  65           HA       HIS  65  15.193  13.355   4.975
  485   1HB   HIS  65          2HB       HIS  65  17.346  14.421   4.806
  486   2HB   HIS  65          1HB       HIS  65  16.666  14.798   6.387
  487    HD1  HIS  65           HD1      HIS  65  19.510  13.074   4.735
  488    HD2  HIS  65           HD2      HIS  65  18.007  13.568   8.577
  489    HE1  HIS  65           HE1      HIS  65  21.318  12.262   6.273
  490    HE2  HIS  65           HE2      HIS  65  20.297  12.365   8.570
  491    H    HIS  66           H        HIS  66  15.869  12.498   3.077
  492    HA   HIS  66           HA       HIS  66  18.171  10.939   2.708
  493   1HB   HIS  66          2HB       HIS  66  17.328   8.739   2.282
  494   2HB   HIS  66          1HB       HIS  66  16.729   9.207   3.867
  495    HD1  HIS  66           HD1      HIS  66  15.657   8.029   0.590
  496    HD2  HIS  66           HD2      HIS  66  13.888   9.931   3.835
  497    HE1  HIS  66           HE1      HIS  66  13.189   7.785   0.244
  498    HE2  HIS  66           HE2      HIS  66  12.141   8.835   2.267
  499    H    HIS  67           H        HIS  67  18.761  11.368   0.655
  500    HA   HIS  67           HA       HIS  67  16.630  11.808  -1.356
  501   1HB   HIS  67          2HB       HIS  67  19.292  13.229  -1.105
  502   2HB   HIS  67          1HB       HIS  67  18.221  13.385  -2.493
  503    HD1  HIS  67           HD1      HIS  67  19.098  15.711  -0.484
  504    HD2  HIS  67           HD2      HIS  67  15.450  13.725  -0.546
  505    HE1  HIS  67           HE1      HIS  67  17.461  17.270   0.603
  506    HE2  HIS  67           HE2      HIS  67  15.230  16.134   0.362
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -19.258   6.390   2.450
    2   2H    MET   1          2H        MET   1 -18.293   7.681   2.967
    3   3H    MET   1          3H        MET   1 -19.972   7.840   2.939
    4    HA   MET   1           HA       MET   1 -19.073   7.498   5.198
    5   1HB   MET   1          2HB       MET   1 -20.868   5.299   4.126
    6   2HB   MET   1          1HB       MET   1 -20.709   5.745   5.820
    7   1HG   MET   1          2HG       MET   1 -21.645   7.931   5.370
    8   2HG   MET   1          1HG       MET   1 -21.718   7.576   3.645
    9   1HE   MET   1          1HE       MET   1 -22.717   4.522   3.646
   10   2HE   MET   1          2HE       MET   1 -23.339   5.777   2.573
   11   3HE   MET   1          3HE       MET   1 -24.456   4.781   3.501
   12    H    THR   2           H        THR   2 -17.060   6.278   3.302
   13    HA   THR   2           HA       THR   2 -16.670   3.527   4.088
   14    HB   THR   2           HB       THR   2 -14.624   5.214   2.632
   15    HG1  THR   2           HG1      THR   2 -17.095   4.172   1.662
   16   1HG2  THR   2          1HG2      THR   2 -13.974   2.916   3.193
   17   2HG2  THR   2          2HG2      THR   2 -14.183   3.093   1.451
   18   3HG2  THR   2          3HG2      THR   2 -15.432   2.299   2.413
   19    H    ILE   3           H        ILE   3 -16.453   5.635   6.232
   20    HA   ILE   3           HA       ILE   3 -15.224   6.101   8.088
   21    HB   ILE   3           HB       ILE   3 -13.433   3.812   7.202
   22   1HG1  ILE   3          2HG1      ILE   3 -15.753   3.071   7.422
   23   2HG1  ILE   3          1HG1      ILE   3 -14.782   2.420   8.740
   24   1HG2  ILE   3          1HG2      ILE   3 -13.778   5.063   9.935
   25   2HG2  ILE   3          2HG2      ILE   3 -12.359   5.206   8.895
   26   3HG2  ILE   3          3HG2      ILE   3 -12.800   3.638   9.569
   27   1HD1  ILE   3          1HD1      ILE   3 -16.949   3.160   9.527
   28   2HD1  ILE   3          2HD1      ILE   3 -16.646   4.783   8.911
   29   3HD1  ILE   3          3HD1      ILE   3 -15.667   4.144  10.232
   30    H    GLN   4           H        GLN   4 -14.093   6.529   5.017
   31    HA   GLN   4           HA       GLN   4 -12.493   7.733   3.989
   32   1HB   GLN   4          2HB       GLN   4 -12.547   9.118   6.675
   33   2HB   GLN   4          1HB       GLN   4 -11.573   9.704   5.335
   34   1HG   GLN   4          2HG       GLN   4 -13.647  10.932   5.461
   35   2HG   GLN   4          1HG       GLN   4 -13.607   9.975   3.984
   36   1HE2  GLN   4          1HE2      GLN   4 -15.086  10.383   7.092
   37   2HE2  GLN   4          2HE2      GLN   4 -16.421   9.322   6.820
   38    H    ALA   5           H        ALA   5 -11.688   5.307   5.578
   39    HA   ALA   5           HA       ALA   5  -8.797   5.815   5.538
   40   1HB   ALA   5          1HB       ALA   5 -10.168   4.347   7.787
   41   2HB   ALA   5          2HB       ALA   5  -9.534   5.987   7.884
   42   3HB   ALA   5          3HB       ALA   5  -8.435   4.634   7.621
   43    HA   PRO   6           HA       PRO   6  -9.444   1.894   3.223
   44   1HB   PRO   6          2HB       PRO   6  -7.150   2.969   1.701
   45   2HB   PRO   6          1HB       PRO   6  -8.707   2.381   1.110
   46   1HG   PRO   6          2HG       PRO   6  -8.071   4.998   1.067
   47   2HG   PRO   6          1HG       PRO   6  -9.732   4.440   1.355
   48   1HD   PRO   6          2HD       PRO   6  -7.684   5.397   3.333
   49   2HD   PRO   6          1HD       PRO   6  -9.425   5.748   3.253
   50    H    GLU   7           H        GLU   7  -8.695   0.711   4.955
   51    HA   GLU   7           HA       GLU   7  -6.673   0.571   6.561
   52   1HB   GLU   7          2HB       GLU   7  -8.315  -1.278   6.083
   53   2HB   GLU   7          1HB       GLU   7  -7.227  -1.850   4.831
   54   1HG   GLU   7          2HG       GLU   7  -6.290  -1.533   7.665
   55   2HG   GLU   7          1HG       GLU   7  -7.169  -2.967   7.153
   56    H    THR   8           H        THR   8  -4.680   1.316   6.363
   57    HA   THR   8           HA       THR   8  -3.167   0.848   3.877
   58    HB   THR   8           HB       THR   8  -2.932   3.014   5.982
   59    HG1  THR   8           HG1      THR   8  -4.568   2.881   4.055
   60   1HG2  THR   8          1HG2      THR   8  -1.267   2.630   3.487
   61   2HG2  THR   8          2HG2      THR   8  -0.698   2.471   5.148
   62   3HG2  THR   8          3HG2      THR   8  -1.226   4.042   4.545
   63    H    LYS   9           H        LYS   9  -1.051   0.143   3.891
   64    HA   LYS   9           HA       LYS   9   0.139  -0.609   6.486
   65   1HB   LYS   9          2HB       LYS   9  -0.020  -2.282   3.973
   66   2HB   LYS   9          1HB       LYS   9   1.161  -2.595   5.238
   67   1HG   LYS   9          2HG       LYS   9  -0.655  -2.942   6.847
   68   2HG   LYS   9          1HG       LYS   9  -1.833  -2.644   5.569
   69   1HD   LYS   9          2HD       LYS   9  -1.044  -4.582   4.340
   70   2HD   LYS   9          1HD       LYS   9   0.227  -4.855   5.532
   71   1HE   LYS   9          2HE       LYS   9  -1.604  -6.391   5.919
   72   2HE   LYS   9          1HE       LYS   9  -1.502  -5.243   7.252
   73   1HZ   LYS   9          1HZ       LYS   9  -3.429  -5.130   4.992
   74   2HZ   LYS   9          2HZ       LYS   9  -3.312  -3.975   6.218
   75   3HZ   LYS   9          3HZ       LYS   9  -3.781  -5.558   6.587
   76    H    ILE  10           H        ILE  10   1.913   0.553   6.744
   77    HA   ILE  10           HA       ILE  10   3.299   1.707   4.463
   78    HB   ILE  10           HB       ILE  10   3.919   1.983   7.417
   79   1HG1  ILE  10          2HG1      ILE  10   2.363   3.814   5.560
   80   2HG1  ILE  10          1HG1      ILE  10   1.664   2.828   6.838
   81   1HG2  ILE  10          1HG2      ILE  10   4.842   3.621   5.048
   82   2HG2  ILE  10          2HG2      ILE  10   5.833   2.484   5.963
   83   3HG2  ILE  10          3HG2      ILE  10   5.222   3.943   6.743
   84   1HD1  ILE  10          1HD1      ILE  10   3.576   5.123   7.203
   85   2HD1  ILE  10          2HD1      ILE  10   2.912   4.126   8.497
   86   3HD1  ILE  10          3HD1      ILE  10   1.842   5.134   7.526
   87    H    VAL  11           H        VAL  11   4.427   0.145   3.412
   88    HA   VAL  11           HA       VAL  11   6.148  -1.671   4.976
   89    HB   VAL  11           HB       VAL  11   6.183  -3.106   2.948
   90   1HG1  VAL  11          1HG1      VAL  11   4.584  -3.542   4.735
   91   2HG1  VAL  11          2HG1      VAL  11   3.879  -3.930   3.166
   92   3HG1  VAL  11          3HG1      VAL  11   3.427  -2.437   3.994
   93   1HG2  VAL  11          1HG2      VAL  11   5.781  -1.401   1.248
   94   2HG2  VAL  11          2HG2      VAL  11   4.152  -1.137   1.873
   95   3HG2  VAL  11          3HG2      VAL  11   4.576  -2.683   1.134
   96    H    ASP  12           H        ASP  12   8.282  -2.094   4.323
   97    HA   ASP  12           HA       ASP  12   9.696   0.224   3.403
   98   1HB   ASP  12          2HB       ASP  12  10.728  -2.552   4.052
   99   2HB   ASP  12          1HB       ASP  12  11.709  -1.100   3.878
  100    H    LYS  13           H        LYS  13   8.420  -2.559   1.878
  101    HA   LYS  13           HA       LYS  13  10.295  -2.346  -0.380
  102   1HB   LYS  13          2HB       LYS  13   9.788  -4.690  -0.863
  103   2HB   LYS  13          1HB       LYS  13  10.392  -4.494   0.774
  104   1HG   LYS  13          2HG       LYS  13   7.931  -4.473   1.490
  105   2HG   LYS  13          1HG       LYS  13   7.586  -5.084  -0.128
  106   1HD   LYS  13          2HD       LYS  13   9.308  -6.384   1.987
  107   2HD   LYS  13          1HD       LYS  13   7.745  -6.944   1.399
  108   1HE   LYS  13          2HE       LYS  13  10.308  -6.791  -0.197
  109   2HE   LYS  13          1HE       LYS  13   9.556  -8.256   0.431
  110   1HZ   LYS  13          1HZ       LYS  13   8.484  -6.453  -1.665
  111   2HZ   LYS  13          2HZ       LYS  13   7.601  -7.715  -0.977
  112   3HZ   LYS  13          3HZ       LYS  13   9.006  -8.049  -1.855
  113    H    SER  14           H        SER  14   9.534  -2.233  -2.491
  114    HA   SER  14           HA       SER  14   6.885  -1.137  -2.813
  115   1HB   SER  14          2HB       SER  14   7.549  -0.938  -5.229
  116   2HB   SER  14          1HB       SER  14   8.643  -0.140  -4.109
  117    HG   SER  14           HG       SER  14   9.997  -1.269  -5.359
  118    H    ARG  15           H        ARG  15   8.476  -4.161  -3.766
  119    HA   ARG  15           HA       ARG  15   6.213  -5.038  -5.316
  120   1HB   ARG  15          2HB       ARG  15   8.704  -6.473  -4.409
  121   2HB   ARG  15          1HB       ARG  15   7.449  -7.235  -5.377
  122   1HG   ARG  15          2HG       ARG  15   9.061  -4.814  -6.172
  123   2HG   ARG  15          1HG       ARG  15   9.301  -6.465  -6.736
  124   1HD   ARG  15          2HD       ARG  15   7.185  -6.485  -7.846
  125   2HD   ARG  15          1HD       ARG  15   6.733  -4.942  -7.119
  126    HE   ARG  15           HE       ARG  15   8.531  -3.931  -8.471
  127   1HH1  ARG  15          1HH1      ARG  15   7.371  -7.039  -9.443
  128   2HH1  ARG  15          2HH1      ARG  15   7.679  -6.739 -11.115
  129   1HH2  ARG  15          1HH2      ARG  15   8.940  -3.585 -10.602
  130   2HH2  ARG  15          2HH2      ARG  15   8.571  -4.807 -11.767
  131    H    VAL  16           H        VAL  16   4.517  -6.117  -4.701
  132    HA   VAL  16           HA       VAL  16   4.472  -7.613  -2.172
  133    HB   VAL  16           HB       VAL  16   2.426  -5.468  -2.835
  134   1HG1  VAL  16          1HG1      VAL  16   1.368  -7.385  -1.785
  135   2HG1  VAL  16          2HG1      VAL  16   1.430  -6.036  -0.650
  136   3HG1  VAL  16          3HG1      VAL  16   2.569  -7.374  -0.492
  137   1HG2  VAL  16          1HG2      VAL  16   3.210  -4.328  -0.815
  138   2HG2  VAL  16          2HG2      VAL  16   4.522  -4.516  -1.980
  139   3HG2  VAL  16          3HG2      VAL  16   4.435  -5.576  -0.574
  140    H    ALA  17           H        ALA  17   3.547  -9.560  -2.534
  141    HA   ALA  17           HA       ALA  17   2.088 -10.075  -4.973
  142   1HB   ALA  17          1HB       ALA  17   1.982 -12.388  -4.185
  143   2HB   ALA  17          2HB       ALA  17   2.605 -11.889  -2.610
  144   3HB   ALA  17          3HB       ALA  17   3.621 -11.746  -4.043
  145    H    CYS  18           H        CYS  18  -0.024  -9.485  -5.168
  146    HA   CYS  18           HA       CYS  18  -1.880 -10.211  -3.024
  147   1HB   CYS  18          2HB       CYS  18  -1.192  -7.895  -2.507
  148   2HB   CYS  18          1HB       CYS  18  -1.757  -7.383  -4.092
  149    HG   CYS  18           HG       CYS  18  -3.453  -6.874  -1.675
  150    H    ASP  19           H        ASP  19  -2.948 -11.664  -4.296
  151    HA   ASP  19           HA       ASP  19  -4.797 -10.492  -6.236
  152   1HB   ASP  19          2HB       ASP  19  -2.932 -11.445  -7.555
  153   2HB   ASP  19          1HB       ASP  19  -3.208 -13.013  -6.803
  154    H    GLY  20           H        GLY  20  -5.894 -10.784  -4.042
  155   1HA   GLY  20          2HA       GLY  20  -7.943 -12.556  -4.092
  156   2HA   GLY  20          1HA       GLY  20  -6.668 -13.476  -3.300
  157    H    GLY  21           H        GLY  21  -8.542 -13.357  -1.634
  158   1HA   GLY  21          2HA       GLY  21  -8.998 -10.993  -0.156
  159   2HA   GLY  21          1HA       GLY  21  -9.205 -12.626   0.456
  160    H    GLU  22           H        GLU  22  -6.615 -13.559   0.286
  161    HA   GLU  22           HA       GLU  22  -4.678 -11.761   1.370
  162   1HB   GLU  22          2HB       GLU  22  -6.411 -13.083   3.255
  163   2HB   GLU  22          1HB       GLU  22  -4.793 -13.744   3.428
  164   1HG   GLU  22          2HG       GLU  22  -5.562 -10.831   3.607
  165   2HG   GLU  22          1HG       GLU  22  -5.129 -11.890   4.951
  166    H    GLY  23           H        GLY  23  -2.692 -13.191   2.207
  167   1HA   GLY  23          2HA       GLY  23  -1.617 -14.703   0.200
  168   2HA   GLY  23          1HA       GLY  23  -1.199 -14.921   1.888
  169    H    ALA  24           H        ALA  24  -3.376 -16.079   2.978
  170    HA   ALA  24           HA       ALA  24  -3.317 -18.748   1.855
  171   1HB   ALA  24          1HB       ALA  24  -4.527 -19.379   3.893
  172   2HB   ALA  24          2HB       ALA  24  -4.680 -17.677   4.328
  173   3HB   ALA  24          3HB       ALA  24  -3.086 -18.430   4.258
  174    H    LEU  25           H        LEU  25  -5.163 -16.113   1.202
  175    HA   LEU  25           HA       LEU  25  -7.480 -17.739   0.367
  176   1HB   LEU  25          2HB       LEU  25  -7.716 -15.969   2.339
  177   2HB   LEU  25          1HB       LEU  25  -7.803 -14.825   1.015
  178    HG   LEU  25           HG       LEU  25  -9.687 -17.163   1.444
  179   1HD1  LEU  25          1HD1      LEU  25  -9.980 -15.424   3.121
  180   2HD1  LEU  25          2HD1      LEU  25 -11.347 -15.465   2.009
  181   3HD1  LEU  25          3HD1      LEU  25 -10.124 -14.208   1.852
  182   1HD2  LEU  25          1HD2      LEU  25 -11.042 -16.163  -0.337
  183   2HD2  LEU  25          2HD2      LEU  25  -9.450 -16.629  -0.931
  184   3HD2  LEU  25          3HD2      LEU  25  -9.802 -14.934  -0.597
  185    H    GLY  26           H        GLY  26  -5.523 -17.646  -1.320
  186   1HA   GLY  26          2HA       GLY  26  -6.060 -17.199  -3.744
  187   2HA   GLY  26          1HA       GLY  26  -6.168 -15.510  -3.273
  188    H    HIS  27           H        HIS  27  -4.518 -14.730  -4.527
  189    HA   HIS  27           HA       HIS  27  -2.402 -13.997  -4.922
  190   1HB   HIS  27          2HB       HIS  27  -1.833 -15.430  -2.316
  191   2HB   HIS  27          1HB       HIS  27  -0.652 -14.440  -3.168
  192    HD1  HIS  27           HD1      HIS  27  -4.298 -13.531  -2.637
  193    HD2  HIS  27           HD2      HIS  27  -0.509 -12.353  -1.411
  194    HE1  HIS  27           HE1      HIS  27  -4.637 -11.382  -1.382
  195    HE2  HIS  27           HE2      HIS  27  -2.352 -10.761  -0.531
  196    HA   PRO  28           HA       PRO  28  -1.312 -18.342  -6.634
  197   1HB   PRO  28          2HB       PRO  28  -1.588 -17.525  -9.271
  198   2HB   PRO  28          1HB       PRO  28  -2.806 -18.416  -8.352
  199   1HG   PRO  28          2HG       PRO  28  -2.612 -15.482  -8.897
  200   2HG   PRO  28          1HG       PRO  28  -4.044 -16.528  -8.880
  201   1HD   PRO  28          2HD       PRO  28  -3.486 -14.894  -6.826
  202   2HD   PRO  28          1HD       PRO  28  -4.187 -16.504  -6.556
  203    H    ARG  29           H        ARG  29  -0.636 -15.326  -8.431
  204    HA   ARG  29           HA       ARG  29   1.827 -14.817  -7.315
  205   1HB   ARG  29          2HB       ARG  29   2.279 -17.004  -8.754
  206   2HB   ARG  29          1HB       ARG  29   2.440 -15.827 -10.054
  207   1HG   ARG  29          2HG       ARG  29   4.594 -16.249  -9.099
  208   2HG   ARG  29          1HG       ARG  29   4.110 -14.616  -8.684
  209   1HD   ARG  29          2HD       ARG  29   3.501 -15.280  -6.464
  210   2HD   ARG  29          1HD       ARG  29   3.718 -16.983  -6.858
  211    HE   ARG  29           HE       ARG  29   6.153 -15.682  -7.272
  212   1HH1  ARG  29          1HH1      ARG  29   4.018 -16.444  -4.674
  213   2HH1  ARG  29          2HH1      ARG  29   5.300 -16.574  -3.521
  214   1HH2  ARG  29          1HH2      ARG  29   7.793 -15.852  -5.758
  215   2HH2  ARG  29          2HH2      ARG  29   7.397 -16.257  -4.125
  216    H    VAL  30           H        VAL  30   0.882 -12.871  -7.408
  217    HA   VAL  30           HA       VAL  30   1.201 -11.378  -9.922
  218    HB   VAL  30           HB       VAL  30  -1.231 -11.181  -8.118
  219   1HG1  VAL  30          1HG1      VAL  30  -2.041  -9.461  -9.689
  220   2HG1  VAL  30          2HG1      VAL  30  -0.489  -9.507 -10.524
  221   3HG1  VAL  30          3HG1      VAL  30  -0.573  -8.959  -8.850
  222   1HG2  VAL  30          1HG2      VAL  30  -2.503 -11.860 -10.096
  223   2HG2  VAL  30          2HG2      VAL  30  -1.309 -13.084  -9.665
  224   3HG2  VAL  30          3HG2      VAL  30  -1.008 -11.995 -11.023
  225    H    TRP  31           H        TRP  31   2.574  -9.744  -9.560
  226    HA   TRP  31           HA       TRP  31   2.972  -8.843  -6.786
  227   1HB   TRP  31          2HB       TRP  31   4.841  -8.720  -9.164
  228   2HB   TRP  31          1HB       TRP  31   5.224  -8.150  -7.541
  229    HD1  TRP  31           HD       TRP  31   4.751 -11.369  -9.554
  230    HE1  TRP  31           HE1      TRP  31   5.738 -13.332  -8.217
  231    HE3  TRP  31           HE3      TRP  31   5.751  -8.933  -5.171
  232    HZ2  TRP  31           HZ2      TRP  31   6.799 -13.781  -5.637
  233    HZ3  TRP  31           HZ3      TRP  31   6.750 -10.200  -3.320
  234    HH2  TRP  31           HH       TRP  31   7.261 -12.574  -3.546
  235    H    LEU  32           H        LEU  32   2.170  -6.939  -6.270
  236    HA   LEU  32           HA       LEU  32   1.604  -4.878  -8.205
  237   1HB   LEU  32          2HB       LEU  32   1.374  -4.996  -5.194
  238   2HB   LEU  32          1HB       LEU  32   1.014  -3.544  -6.108
  239    HG   LEU  32           HG       LEU  32  -0.789  -4.741  -7.299
  240   1HD1  LEU  32          1HD1      LEU  32  -1.552  -6.929  -6.504
  241   2HD1  LEU  32          2HD1      LEU  32  -0.145  -7.036  -5.446
  242   3HD1  LEU  32          3HD1      LEU  32   0.067  -7.014  -7.197
  243   1HD2  LEU  32          1HD2      LEU  32  -2.340  -4.901  -5.394
  244   2HD2  LEU  32          2HD2      LEU  32  -1.338  -3.453  -5.332
  245   3HD2  LEU  32          3HD2      LEU  32  -0.968  -4.825  -4.286
  246    H    GLN  33           H        GLN  33   2.512  -2.782  -8.197
  247    HA   GLN  33           HA       GLN  33   5.283  -2.615  -7.140
  248   1HB   GLN  33          2HB       GLN  33   5.307  -2.911  -9.552
  249   2HB   GLN  33          1HB       GLN  33   4.134  -1.623  -9.768
  250   1HG   GLN  33          2HG       GLN  33   6.256  -0.766 -10.385
  251   2HG   GLN  33          1HG       GLN  33   5.837  -0.027  -8.841
  252   1HE2  GLN  33          1HE2      GLN  33   7.039  -0.579  -7.013
  253   2HE2  GLN  33          2HE2      GLN  33   8.533  -1.441  -7.118
  254    H    ILE  34           H        ILE  34   5.209  -1.206  -5.464
  255    HA   ILE  34           HA       ILE  34   3.506   1.110  -5.435
  256    HB   ILE  34           HB       ILE  34   5.908   0.510  -3.688
  257   1HG1  ILE  34          2HG1      ILE  34   2.957   0.013  -3.182
  258   2HG1  ILE  34          1HG1      ILE  34   4.154  -1.233  -3.524
  259   1HG2  ILE  34          1HG2      ILE  34   4.850   2.121  -2.127
  260   2HG2  ILE  34          2HG2      ILE  34   3.646   2.488  -3.362
  261   3HG2  ILE  34          3HG2      ILE  34   5.345   2.866  -3.648
  262   1HD1  ILE  34          1HD1      ILE  34   5.318  -0.700  -1.456
  263   2HD1  ILE  34          2HD1      ILE  34   3.627  -1.097  -1.148
  264   3HD1  ILE  34          3HD1      ILE  34   4.156   0.583  -1.123
  265    HA   PRO  35           HA       PRO  35   6.544   3.340  -7.961
  266   1HB   PRO  35          2HB       PRO  35   4.894   5.121  -9.036
  267   2HB   PRO  35          1HB       PRO  35   4.740   3.405  -9.447
  268   1HG   PRO  35          2HG       PRO  35   3.136   5.033  -7.495
  269   2HG   PRO  35          1HG       PRO  35   2.566   3.876  -8.711
  270   1HD   PRO  35          2HD       PRO  35   2.947   3.273  -6.040
  271   2HD   PRO  35          1HD       PRO  35   2.961   2.073  -7.350
  272    H    GLU  36           H        GLU  36   7.612   5.356  -7.872
  273    HA   GLU  36           HA       GLU  36   7.404   6.863  -5.440
  274   1HB   GLU  36          2HB       GLU  36   8.957   7.468  -7.972
  275   2HB   GLU  36          1HB       GLU  36   9.158   8.289  -6.431
  276   1HG   GLU  36          2HG       GLU  36   9.884   6.172  -5.411
  277   2HG   GLU  36          1HG       GLU  36   9.723   5.375  -6.975
  278    H    ASP  37           H        ASP  37   5.959   7.032  -8.546
  279    HA   ASP  37           HA       ASP  37   5.203   9.711  -8.757
  280   1HB   ASP  37          2HB       ASP  37   4.888   7.985 -10.513
  281   2HB   ASP  37          1HB       ASP  37   3.624   7.245  -9.542
  282    H    THR  38           H        THR  38   3.343   7.019  -7.332
  283    HA   THR  38           HA       THR  38   1.489   8.878  -6.053
  284    HB   THR  38           HB       THR  38   0.199   6.916  -5.422
  285    HG1  THR  38           HG1      THR  38   0.994   4.821  -5.865
  286   1HG2  THR  38          1HG2      THR  38  -0.288   5.970  -7.632
  287   2HG2  THR  38          2HG2      THR  38   1.221   6.637  -8.256
  288   3HG2  THR  38          3HG2      THR  38  -0.070   7.719  -7.730
  289    H    GLY  39           H        GLY  39   3.730   6.280  -5.071
  290   1HA   GLY  39          2HA       GLY  39   5.026   6.310  -3.068
  291   2HA   GLY  39          1HA       GLY  39   3.896   7.464  -2.378
  292    H    TRP  40           H        TRP  40   2.121   5.130  -3.910
  293    HA   TRP  40           HA       TRP  40   2.070   3.126  -1.833
  294   1HB   TRP  40          2HB       TRP  40  -0.402   3.614  -1.318
  295   2HB   TRP  40          1HB       TRP  40   0.796   4.677  -0.589
  296    HD1  TRP  40           HD       TRP  40   0.600   7.209  -1.089
  297    HE1  TRP  40           HE1      TRP  40  -0.967   8.657  -2.519
  298    HE3  TRP  40           HE3      TRP  40  -1.811   3.507  -3.669
  299    HZ2  TRP  40           HZ2      TRP  40  -2.953   8.292  -4.479
  300    HZ3  TRP  40           HZ3      TRP  40  -3.536   4.149  -5.304
  301    HH2  TRP  40           HH       TRP  40  -4.093   6.492  -5.697
  302    H    VAL  41           H        VAL  41   0.200   1.532  -2.207
  303    HA   VAL  41           HA       VAL  41  -0.854   1.587  -4.950
  304    HB   VAL  41           HB       VAL  41   1.229   0.206  -4.974
  305   1HG1  VAL  41          1HG1      VAL  41   1.237  -1.994  -3.896
  306   2HG1  VAL  41          2HG1      VAL  41  -0.304  -1.626  -3.123
  307   3HG1  VAL  41          3HG1      VAL  41   1.135  -0.694  -2.709
  308   1HG2  VAL  41          1HG2      VAL  41  -1.338  -1.302  -5.499
  309   2HG2  VAL  41          2HG2      VAL  41   0.246  -1.713  -6.158
  310   3HG2  VAL  41          3HG2      VAL  41  -0.531  -0.196  -6.612
  311    H    GLU  42           H        GLU  42  -2.837   0.528  -5.216
  312    HA   GLU  42           HA       GLU  42  -4.219  -0.167  -2.707
  313   1HB   GLU  42          2HB       GLU  42  -5.358   0.643  -5.396
  314   2HB   GLU  42          1HB       GLU  42  -6.293   0.333  -3.936
  315   1HG   GLU  42          2HG       GLU  42  -5.374   2.250  -2.847
  316   2HG   GLU  42          1HG       GLU  42  -4.193   2.487  -4.136
  317    H    CYS  43           H        CYS  43  -5.190  -2.131  -2.434
  318    HA   CYS  43           HA       CYS  43  -4.619  -4.197  -4.434
  319   1HB   CYS  43          2HB       CYS  43  -5.637  -4.464  -1.594
  320   2HB   CYS  43          1HB       CYS  43  -5.174  -5.796  -2.647
  321    HG   CYS  43           HG       CYS  43  -3.036  -3.363  -1.561
  322    HA   PRO  44           HA       PRO  44  -8.936  -3.689  -5.730
  323   1HB   PRO  44          2HB       PRO  44  -8.815  -5.507  -7.781
  324   2HB   PRO  44          1HB       PRO  44  -8.255  -3.837  -7.910
  325   1HG   PRO  44          2HG       PRO  44  -6.671  -6.329  -7.410
  326   2HG   PRO  44          1HG       PRO  44  -6.298  -4.962  -8.477
  327   1HD   PRO  44          2HD       PRO  44  -5.149  -5.231  -6.050
  328   2HD   PRO  44          1HD       PRO  44  -5.546  -3.638  -6.726
  329    H    TYR  45           H        TYR  45  -7.402  -6.489  -4.466
  330    HA   TYR  45           HA       TYR  45  -9.977  -7.925  -4.296
  331   1HB   TYR  45          2HB       TYR  45  -7.179  -9.034  -3.973
  332   2HB   TYR  45          1HB       TYR  45  -8.671  -9.964  -3.930
  333    HD1  TYR  45           HD1      TYR  45  -9.959 -10.362  -5.994
  334    HD2  TYR  45           HD2      TYR  45  -6.242  -8.283  -6.075
  335    HE1  TYR  45           HE1      TYR  45  -9.825 -10.702  -8.427
  336    HE2  TYR  45           HE2      TYR  45  -6.102  -8.620  -8.502
  337    HH   TYR  45           HH       TYR  45  -6.996 -10.225 -10.182
  338    H    CYS  46           H        CYS  46  -6.981  -7.664  -2.343
  339    HA   CYS  46           HA       CYS  46  -8.315  -8.293   0.106
  340   1HB   CYS  46          2HB       CYS  46  -5.935  -8.823  -0.308
  341   2HB   CYS  46          1HB       CYS  46  -5.560  -7.104  -0.323
  342    HG   CYS  46           HG       CYS  46  -6.046  -9.171   2.265
  343    H    ASP  47           H        ASP  47  -7.968  -5.400  -1.638
  344    HA   ASP  47           HA       ASP  47  -8.784  -3.319  -1.329
  345   1HB   ASP  47          2HB       ASP  47 -10.601  -4.622  -0.066
  346   2HB   ASP  47          1HB       ASP  47  -9.785  -4.095   1.403
  347    H    CYS  48           H        CYS  48  -6.392  -4.634   0.569
  348    HA   CYS  48           HA       CYS  48  -5.765  -2.549   2.364
  349   1HB   CYS  48          2HB       CYS  48  -3.921  -4.571   1.067
  350   2HB   CYS  48          1HB       CYS  48  -3.508  -3.563   2.449
  351    HG   CYS  48           HG       CYS  48  -5.839  -4.754   3.862
  352    H    LYS  49           H        LYS  49  -4.302  -0.856   2.249
  353    HA   LYS  49           HA       LYS  49  -3.397  -0.065  -0.452
  354   1HB   LYS  49          2HB       LYS  49  -5.202   1.356   0.454
  355   2HB   LYS  49          1HB       LYS  49  -4.223   1.699   1.870
  356   1HG   LYS  49          2HG       LYS  49  -2.674   2.985   0.596
  357   2HG   LYS  49          1HG       LYS  49  -3.380   2.436  -0.928
  358   1HD   LYS  49          2HD       LYS  49  -5.458   3.607  -0.417
  359   2HD   LYS  49          1HD       LYS  49  -4.817   4.104   1.150
  360   1HE   LYS  49          2HE       LYS  49  -3.565   4.872  -1.487
  361   2HE   LYS  49          1HE       LYS  49  -4.764   5.860  -0.655
  362   1HZ   LYS  49          1HZ       LYS  49  -2.568   6.627  -0.131
  363   2HZ   LYS  49          2HZ       LYS  49  -2.097   5.091   0.392
  364   3HZ   LYS  49          3HZ       LYS  49  -3.256   5.957   1.260
  365    H    TYR  50           H        TYR  50  -1.244  -0.510  -0.560
  366    HA   TYR  50           HA       TYR  50   0.352  -0.449   1.890
  367   1HB   TYR  50          2HB       TYR  50   1.021  -1.409  -0.902
  368   2HB   TYR  50          1HB       TYR  50   2.130  -1.474   0.459
  369    HD1  TYR  50           HD2      TYR  50   1.784  -3.087   2.275
  370    HD2  TYR  50           HD1      TYR  50  -0.855  -2.958  -1.064
  371    HE1  TYR  50           HE2      TYR  50   0.906  -5.299   2.893
  372    HE2  TYR  50           HE1      TYR  50  -1.735  -5.174  -0.456
  373    HH   TYR  50           HH       TYR  50  -1.152  -6.645   2.536
  374    H    VAL  51           H        VAL  51   1.279   1.422   2.449
  375    HA   VAL  51           HA       VAL  51   2.194   3.297   0.373
  376    HB   VAL  51           HB       VAL  51   2.007   3.629   3.383
  377   1HG1  VAL  51          1HG1      VAL  51   3.891   4.930   2.538
  378   2HG1  VAL  51          2HG1      VAL  51   2.564   5.996   2.998
  379   3HG1  VAL  51          3HG1      VAL  51   2.862   5.645   1.295
  380   1HG2  VAL  51          1HG2      VAL  51   0.212   5.202   2.881
  381   2HG2  VAL  51          2HG2      VAL  51  -0.154   3.611   2.212
  382   3HG2  VAL  51          3HG2      VAL  51   0.410   4.903   1.153
  383    H    LEU  52           H        LEU  52   4.307   3.726  -0.054
  384    HA   LEU  52           HA       LEU  52   6.320   1.933   0.887
  385   1HB   LEU  52          2HB       LEU  52   6.330   2.910  -1.383
  386   2HB   LEU  52          1HB       LEU  52   6.626   4.493  -0.692
  387    HG   LEU  52           HG       LEU  52   8.802   3.689   0.182
  388   1HD1  LEU  52          1HD1      LEU  52   8.172   1.159  -1.343
  389   2HD1  LEU  52          2HD1      LEU  52   8.268   1.318   0.411
  390   3HD1  LEU  52          3HD1      LEU  52   9.710   1.552  -0.573
  391   1HD2  LEU  52          1HD2      LEU  52   8.430   3.285  -2.790
  392   2HD2  LEU  52          2HD2      LEU  52   9.960   3.594  -1.967
  393   3HD2  LEU  52          3HD2      LEU  52   8.703   4.828  -1.975
  394    H    LYS  53           H        LYS  53   7.416   2.061   2.698
  395    HA   LYS  53           HA       LYS  53   7.214   4.182   4.546
  396   1HB   LYS  53          2HB       LYS  53   7.563   1.833   5.162
  397   2HB   LYS  53          1HB       LYS  53   9.151   1.863   4.416
  398   1HG   LYS  53          2HG       LYS  53   9.976   3.375   6.094
  399   2HG   LYS  53          1HG       LYS  53   8.354   3.565   6.780
  400   1HD   LYS  53          2HD       LYS  53   8.302   1.265   7.465
  401   2HD   LYS  53          1HD       LYS  53   9.789   0.915   6.588
  402   1HE   LYS  53          2HE       LYS  53  11.007   2.419   8.125
  403   2HE   LYS  53          1HE       LYS  53   9.509   2.670   9.027
  404   1HZ   LYS  53          1HZ       LYS  53   9.443   0.304   9.509
  405   2HZ   LYS  53          2HZ       LYS  53  10.903   0.964  10.043
  406   3HZ   LYS  53          3HZ       LYS  53  10.860   0.054   8.621
  407    H    GLY  54           H        GLY  54   8.229   6.085   4.529
  408   1HA   GLY  54          2HA       GLY  54  10.049   7.559   4.432
  409   2HA   GLY  54          1HA       GLY  54  10.999   6.321   3.626
  410    H    SER  55           H        SER  55   7.885   6.783   2.294
  411    HA   SER  55           HA       SER  55   9.052   7.999  -0.096
  412   1HB   SER  55          2HB       SER  55   7.004   7.406  -1.222
  413   2HB   SER  55          1HB       SER  55   7.480   6.027  -0.233
  414    HG   SER  55           HG       SER  55   5.689   6.229   0.845
  415    H    LYS  56           H        LYS  56   7.361   9.508  -1.289
  416    HA   LYS  56           HA       LYS  56   7.059  11.941   0.028
  417   1HB   LYS  56          2HB       LYS  56   5.476  12.500  -1.827
  418   2HB   LYS  56          1HB       LYS  56   7.010  11.823  -2.368
  419   1HG   LYS  56          2HG       LYS  56   5.899   9.610  -2.590
  420   2HG   LYS  56          1HG       LYS  56   4.364  10.378  -2.188
  421   1HD   LYS  56          2HD       LYS  56   6.113  11.144  -4.533
  422   2HD   LYS  56          1HD       LYS  56   4.721  10.068  -4.629
  423   1HE   LYS  56          2HE       LYS  56   3.262  11.881  -3.865
  424   2HE   LYS  56          1HE       LYS  56   4.655  12.957  -3.753
  425   1HZ   LYS  56          1HZ       LYS  56   4.976  12.799  -6.111
  426   2HZ   LYS  56          2HZ       LYS  56   3.373  13.244  -5.809
  427   3HZ   LYS  56          3HZ       LYS  56   3.732  11.658  -6.257
  428    H    ALA  57           H        ALA  57   4.818   9.212  -0.174
  429    HA   ALA  57           HA       ALA  57   2.584  10.663   0.930
  430   1HB   ALA  57          1HB       ALA  57   2.252   8.854  -0.681
  431   2HB   ALA  57          2HB       ALA  57   1.417   8.522   0.837
  432   3HB   ALA  57          3HB       ALA  57   2.933   7.700   0.466
  433    H    ASP  58           H        ASP  58   5.084   8.550   2.186
  434    HA   ASP  58           HA       ASP  58   3.823   8.236   4.768
  435   1HB   ASP  58          2HB       ASP  58   5.172   6.415   3.956
  436   2HB   ASP  58          1HB       ASP  58   6.557   7.476   3.725
  437    H    ALA  59           H        ALA  59   6.498  10.130   3.436
  438    HA   ALA  59           HA       ALA  59   7.206  11.270   5.986
  439   1HB   ALA  59          1HB       ALA  59   8.825  12.592   4.714
  440   2HB   ALA  59          2HB       ALA  59   8.105  12.023   3.206
  441   3HB   ALA  59          3HB       ALA  59   8.911  10.883   4.283
  442    H    LEU  60           H        LEU  60   5.959  12.732   2.958
  443    HA   LEU  60           HA       LEU  60   4.810  14.638   2.522
  444   1HB   LEU  60          2HB       LEU  60   3.806  14.262   5.351
  445   2HB   LEU  60          1HB       LEU  60   3.136  15.402   4.200
  446    HG   LEU  60           HG       LEU  60   3.151  12.394   3.840
  447   1HD1  LEU  60          1HD1      LEU  60   0.756  12.505   4.290
  448   2HD1  LEU  60          2HD1      LEU  60   0.881  14.236   4.610
  449   3HD1  LEU  60          3HD1      LEU  60   1.682  13.081   5.677
  450   1HD2  LEU  60          1HD2      LEU  60   3.187  13.602   1.719
  451   2HD2  LEU  60          2HD2      LEU  60   1.811  14.577   2.236
  452   3HD2  LEU  60          3HD2      LEU  60   1.618  12.843   1.978
  453    H    GLU  61           H        GLU  61   6.285  16.207   2.199
  454    HA   GLU  61           HA       GLU  61   7.443  18.126   2.497
  455   1HB   GLU  61          2HB       GLU  61   6.054  18.205   5.185
  456   2HB   GLU  61          1HB       GLU  61   7.041  19.510   4.544
  457   1HG   GLU  61          2HG       GLU  61   4.481  18.457   3.350
  458   2HG   GLU  61          1HG       GLU  61   4.690  19.978   4.215
  459    H    HIS  62           H        HIS  62   9.278  19.094   3.612
  460    HA   HIS  62           HA       HIS  62  10.669  17.434   5.571
  461   1HB   HIS  62          2HB       HIS  62  12.762  17.460   4.136
  462   2HB   HIS  62          1HB       HIS  62  11.469  16.408   3.567
  463    HD1  HIS  62           HD1      HIS  62  13.160  19.689   2.742
  464    HD2  HIS  62           HD2      HIS  62  10.441  17.018   1.077
  465    HE1  HIS  62           HE1      HIS  62  12.846  20.437   0.367
  466    HE2  HIS  62           HE2      HIS  62  11.076  18.917  -0.557
  467    H    HIS  63           H        HIS  63  11.579  18.722   7.063
  468    HA   HIS  63           HA       HIS  63  12.244  21.509   6.319
  469   1HB   HIS  63          2HB       HIS  63  10.974  20.584   8.912
  470   2HB   HIS  63          1HB       HIS  63  11.417  22.242   8.511
  471    HD1  HIS  63           HD1      HIS  63   8.684  19.860   8.299
  472    HD2  HIS  63           HD2      HIS  63   9.809  23.336   6.325
  473    HE1  HIS  63           HE1      HIS  63   6.628  20.641   7.088
  474    HE2  HIS  63           HE2      HIS  63   7.284  22.847   6.079
  475    H    HIS  64           H        HIS  64  14.232  22.171   6.854
  476    HA   HIS  64           HA       HIS  64  15.407  21.592   9.373
  477   1HB   HIS  64          2HB       HIS  64  17.471  20.491   8.645
  478   2HB   HIS  64          1HB       HIS  64  16.065  19.495   8.300
  479    HD1  HIS  64           HD1      HIS  64  18.710  21.551   6.583
  480    HD2  HIS  64           HD2      HIS  64  15.668  18.889   5.629
  481    HE1  HIS  64           HE1      HIS  64  19.077  20.943   4.177
  482    HE2  HIS  64           HE2      HIS  64  17.332  19.201   3.676
  483    H    HIS  65           H        HIS  65  16.588  23.296   9.976
  484    HA   HIS  65           HA       HIS  65  16.857  25.508   8.157
  485   1HB   HIS  65          2HB       HIS  65  17.768  25.223  11.035
  486   2HB   HIS  65          1HB       HIS  65  17.717  26.730  10.122
  487    HD1  HIS  65           HD1      HIS  65  15.827  24.973  12.535
  488    HD2  HIS  65           HD2      HIS  65  14.852  27.140   9.130
  489    HE1  HIS  65           HE1      HIS  65  13.416  25.602  12.813
  490    HE2  HIS  65           HE2      HIS  65  12.804  26.748  10.661
  491    H    HIS  66           H        HIS  66  18.519  25.863   6.848
  492    HA   HIS  66           HA       HIS  66  20.584  25.848   5.891
  493   1HB   HIS  66          2HB       HIS  66  21.541  25.175   8.684
  494   2HB   HIS  66          1HB       HIS  66  22.600  25.574   7.340
  495    HD1  HIS  66           HD1      HIS  66  20.747  27.077  10.074
  496    HD2  HIS  66           HD2      HIS  66  22.236  28.322   6.402
  497    HE1  HIS  66           HE1      HIS  66  20.769  29.581  10.171
  498    HE2  HIS  66           HE2      HIS  66  21.918  30.284   8.051
  499    H    HIS  67           H        HIS  67  22.813  24.148   6.292
  500    HA   HIS  67           HA       HIS  67  21.827  21.411   6.190
  501   1HB   HIS  67          2HB       HIS  67  23.016  21.093   3.924
  502   2HB   HIS  67          1HB       HIS  67  21.442  21.882   3.925
  503    HD1  HIS  67           HD1      HIS  67  25.124  22.786   3.744
  504    HD2  HIS  67           HD2      HIS  67  21.412  24.343   2.719
  505    HE1  HIS  67           HE1      HIS  67  25.611  24.862   2.423
  506    HE2  HIS  67           HE2      HIS  67  23.361  25.712   1.701
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -22.019   2.168   1.110
    2   2H    MET   1          2H        MET   1 -20.839   3.349   0.841
    3   3H    MET   1          3H        MET   1 -22.392   3.553   0.217
    4    HA   MET   1           HA       MET   1 -22.108   4.947   2.140
    5   1HB   MET   1          2HB       MET   1 -23.887   2.603   2.850
    6   2HB   MET   1          1HB       MET   1 -24.071   4.268   3.378
    7   1HG   MET   1          2HG       MET   1 -24.397   3.245   0.569
    8   2HG   MET   1          1HG       MET   1 -25.691   3.710   1.673
    9   1HE   MET   1          1HE       MET   1 -26.749   5.289  -0.103
   10   2HE   MET   1          2HE       MET   1 -25.502   4.875  -1.279
   11   3HE   MET   1          3HE       MET   1 -25.878   6.565  -0.952
   12    H    THR   2           H        THR   2 -20.479   2.041   2.407
   13    HA   THR   2           HA       THR   2 -20.475   1.830   5.303
   14    HB   THR   2           HB       THR   2 -18.719   0.263   3.395
   15    HG1  THR   2           HG1      THR   2 -20.423  -1.276   3.349
   16   1HG2  THR   2          1HG2      THR   2 -19.850  -0.432   6.118
   17   2HG2  THR   2          2HG2      THR   2 -18.186   0.051   5.791
   18   3HG2  THR   2          3HG2      THR   2 -18.812  -1.461   5.132
   19    H    ILE   3           H        ILE   3 -18.853   3.828   3.245
   20    HA   ILE   3           HA       ILE   3 -17.117   5.255   3.515
   21    HB   ILE   3           HB       ILE   3 -17.012   4.019   6.262
   22   1HG1  ILE   3          2HG1      ILE   3 -17.496   6.396   6.936
   23   2HG1  ILE   3          1HG1      ILE   3 -17.624   6.800   5.230
   24   1HG2  ILE   3          1HG2      ILE   3 -15.249   5.601   6.908
   25   2HG2  ILE   3          2HG2      ILE   3 -15.068   6.079   5.219
   26   3HG2  ILE   3          3HG2      ILE   3 -14.688   4.429   5.715
   27   1HD1  ILE   3          1HD1      ILE   3 -19.369   4.863   6.729
   28   2HD1  ILE   3          2HD1      ILE   3 -19.507   5.255   5.015
   29   3HD1  ILE   3          3HD1      ILE   3 -19.803   6.496   6.234
   30    H    GLN   4           H        GLN   4 -16.696   1.865   3.798
   31    HA   GLN   4           HA       GLN   4 -15.243   0.434   2.827
   32   1HB   GLN   4          2HB       GLN   4 -13.886   2.922   1.777
   33   2HB   GLN   4          1HB       GLN   4 -13.462   1.282   1.307
   34   1HG   GLN   4          2HG       GLN   4 -15.669   0.958   0.343
   35   2HG   GLN   4          1HG       GLN   4 -16.166   2.558   0.892
   36   1HE2  GLN   4          1HE2      GLN   4 -15.366   4.379  -0.177
   37   2HE2  GLN   4          2HE2      GLN   4 -14.610   4.283  -1.726
   38    H    ALA   5           H        ALA   5 -13.449   3.190   4.201
   39    HA   ALA   5           HA       ALA   5 -11.703   3.333   5.650
   40   1HB   ALA   5          1HB       ALA   5 -13.234   2.154   7.148
   41   2HB   ALA   5          2HB       ALA   5 -11.561   1.686   7.446
   42   3HB   ALA   5          3HB       ALA   5 -12.631   0.608   6.552
   43    HA   PRO   6           HA       PRO   6  -9.047   0.698   2.855
   44   1HB   PRO   6          2HB       PRO   6  -7.791   3.237   2.092
   45   2HB   PRO   6          1HB       PRO   6  -8.554   2.017   1.068
   46   1HG   PRO   6          2HG       PRO   6  -9.661   4.450   1.495
   47   2HG   PRO   6          1HG       PRO   6 -10.637   2.994   1.228
   48   1HD   PRO   6          2HD       PRO   6  -9.965   4.376   3.810
   49   2HD   PRO   6          1HD       PRO   6 -11.516   3.696   3.266
   50    H    GLU   7           H        GLU   7  -8.091  -0.059   4.819
   51    HA   GLU   7           HA       GLU   7  -6.253   1.404   6.368
   52   1HB   GLU   7          2HB       GLU   7  -6.499  -1.581   5.955
   53   2HB   GLU   7          1HB       GLU   7  -5.486  -0.826   7.180
   54   1HG   GLU   7          2HG       GLU   7  -7.489   0.191   8.187
   55   2HG   GLU   7          1HG       GLU   7  -8.489  -0.621   6.983
   56    H    THR   8           H        THR   8  -4.030   1.522   6.386
   57    HA   THR   8           HA       THR   8  -2.730   1.179   3.808
   58    HB   THR   8           HB       THR   8  -0.884   2.472   4.856
   59    HG1  THR   8           HG1      THR   8  -1.291   3.384   6.945
   60   1HG2  THR   8          1HG2      THR   8  -3.624   3.711   5.151
   61   2HG2  THR   8          2HG2      THR   8  -2.656   3.669   3.674
   62   3HG2  THR   8          3HG2      THR   8  -2.104   4.599   5.064
   63    H    LYS   9           H        LYS   9  -0.964  -0.099   3.412
   64    HA   LYS   9           HA       LYS   9  -0.052  -1.898   5.574
   65   1HB   LYS   9          2HB       LYS   9  -1.295  -3.006   3.691
   66   2HB   LYS   9          1HB       LYS   9  -0.042  -2.449   2.589
   67   1HG   LYS   9          2HG       LYS   9   1.624  -3.770   3.843
   68   2HG   LYS   9          1HG       LYS   9   0.338  -4.357   4.902
   69   1HD   LYS   9          2HD       LYS   9  -0.795  -5.343   2.930
   70   2HD   LYS   9          1HD       LYS   9   0.541  -4.802   1.913
   71   1HE   LYS   9          2HE       LYS   9   0.879  -7.114   2.418
   72   2HE   LYS   9          1HE       LYS   9   2.080  -6.183   3.312
   73   1HZ   LYS   9          1HZ       LYS   9   1.123  -7.899   4.693
   74   2HZ   LYS   9          2HZ       LYS   9  -0.437  -7.317   4.412
   75   3HZ   LYS   9          3HZ       LYS   9   0.666  -6.381   5.285
   76    H    ILE  10           H        ILE  10   1.754  -0.877   6.304
   77    HA   ILE  10           HA       ILE  10   3.407   0.710   4.566
   78    HB   ILE  10           HB       ILE  10   3.588   0.053   7.506
   79   1HG1  ILE  10          2HG1      ILE  10   3.231   2.542   7.709
   80   2HG1  ILE  10          1HG1      ILE  10   2.995   2.600   5.966
   81   1HG2  ILE  10          1HG2      ILE  10   5.455   1.682   7.647
   82   2HG2  ILE  10          2HG2      ILE  10   5.520   1.709   5.887
   83   3HG2  ILE  10          3HG2      ILE  10   5.872   0.218   6.760
   84   1HD1  ILE  10          1HD1      ILE  10   1.293   1.063   7.914
   85   2HD1  ILE  10          2HD1      ILE  10   1.036   1.179   6.173
   86   3HD1  ILE  10          3HD1      ILE  10   0.889   2.617   7.184
   87    H    VAL  11           H        VAL  11   5.091   0.064   3.428
   88    HA   VAL  11           HA       VAL  11   6.794  -2.136   4.396
   89    HB   VAL  11           HB       VAL  11   7.059  -2.960   2.062
   90   1HG1  VAL  11          1HG1      VAL  11   5.533  -4.117   3.566
   91   2HG1  VAL  11          2HG1      VAL  11   4.903  -4.140   1.918
   92   3HG1  VAL  11          3HG1      VAL  11   4.223  -3.029   3.107
   93   1HG2  VAL  11          1HG2      VAL  11   6.414  -0.928   0.865
   94   2HG2  VAL  11          2HG2      VAL  11   4.756  -1.096   1.450
   95   3HG2  VAL  11          3HG2      VAL  11   5.428  -2.295   0.343
   96    H    ASP  12           H        ASP  12   8.972  -2.122   3.402
   97    HA   ASP  12           HA       ASP  12   9.840   0.603   2.722
   98   1HB   ASP  12          2HB       ASP  12  11.358  -1.794   3.765
   99   2HB   ASP  12          1HB       ASP  12  12.151  -0.319   3.214
  100    H    LYS  13           H        LYS  13   9.369  -2.475   1.302
  101    HA   LYS  13           HA       LYS  13  10.999  -1.726  -1.036
  102   1HB   LYS  13          2HB       LYS  13  10.822  -4.088  -1.723
  103   2HB   LYS  13          1HB       LYS  13  11.566  -3.906  -0.143
  104   1HG   LYS  13          2HG       LYS  13   9.396  -4.497   0.904
  105   2HG   LYS  13          1HG       LYS  13   8.732  -4.775  -0.708
  106   1HD   LYS  13          2HD       LYS  13  10.409  -6.519  -1.102
  107   2HD   LYS  13          1HD       LYS  13  11.093  -6.235   0.501
  108   1HE   LYS  13          2HE       LYS  13   9.656  -8.183   0.556
  109   2HE   LYS  13          1HE       LYS  13   8.933  -6.887   1.507
  110   1HZ   LYS  13          1HZ       LYS  13   8.176  -7.569  -1.285
  111   2HZ   LYS  13          2HZ       LYS  13   7.444  -6.402  -0.313
  112   3HZ   LYS  13          3HZ       LYS  13   7.318  -8.039   0.095
  113    H    SER  14           H        SER  14  10.119  -1.656  -3.096
  114    HA   SER  14           HA       SER  14   7.404  -0.715  -3.126
  115   1HB   SER  14          2HB       SER  14   9.452  -0.976  -5.326
  116   2HB   SER  14          1HB       SER  14   7.865  -0.242  -5.538
  117    HG   SER  14           HG       SER  14  10.031   0.655  -3.941
  118    H    ARG  15           H        ARG  15   8.599  -3.853  -3.543
  119    HA   ARG  15           HA       ARG  15   6.229  -4.558  -5.156
  120   1HB   ARG  15          2HB       ARG  15   8.813  -6.072  -4.749
  121   2HB   ARG  15          1HB       ARG  15   7.425  -6.689  -5.644
  122   1HG   ARG  15          2HG       ARG  15   7.613  -4.889  -7.253
  123   2HG   ARG  15          1HG       ARG  15   8.935  -4.170  -6.333
  124   1HD   ARG  15          2HD       ARG  15  10.296  -6.167  -6.737
  125   2HD   ARG  15          1HD       ARG  15   8.967  -6.885  -7.642
  126    HE   ARG  15           HE       ARG  15   9.323  -4.660  -9.024
  127   1HH1  ARG  15          1HH1      ARG  15  11.629  -6.936  -7.844
  128   2HH1  ARG  15          2HH1      ARG  15  12.813  -6.514  -9.031
  129   1HH2  ARG  15          1HH2      ARG  15  10.840  -4.161 -10.559
  130   2HH2  ARG  15          2HH2      ARG  15  12.375  -4.954 -10.545
  131    H    VAL  16           H        VAL  16   4.587  -5.421  -4.137
  132    HA   VAL  16           HA       VAL  16   5.049  -7.186  -1.812
  133    HB   VAL  16           HB       VAL  16   2.841  -5.111  -1.931
  134   1HG1  VAL  16          1HG1      VAL  16   2.470  -5.711   0.421
  135   2HG1  VAL  16          2HG1      VAL  16   3.722  -6.944   0.301
  136   3HG1  VAL  16          3HG1      VAL  16   2.245  -7.095  -0.647
  137   1HG2  VAL  16          1HG2      VAL  16   4.058  -3.933  -0.144
  138   2HG2  VAL  16          2HG2      VAL  16   4.974  -3.977  -1.649
  139   3HG2  VAL  16          3HG2      VAL  16   5.402  -5.061  -0.326
  140    H    ALA  17           H        ALA  17   3.688  -8.946  -1.681
  141    HA   ALA  17           HA       ALA  17   1.968  -9.444  -4.000
  142   1HB   ALA  17          1HB       ALA  17   3.627 -11.155  -3.391
  143   2HB   ALA  17          2HB       ALA  17   1.979 -11.774  -3.284
  144   3HB   ALA  17          3HB       ALA  17   2.854 -11.337  -1.815
  145    H    CYS  18           H        CYS  18  -0.201  -9.319  -3.887
  146    HA   CYS  18           HA       CYS  18  -1.592  -8.542  -1.548
  147   1HB   CYS  18          2HB       CYS  18  -2.496  -8.030  -3.735
  148   2HB   CYS  18          1HB       CYS  18  -2.620  -9.739  -4.131
  149    HG   CYS  18           HG       CYS  18  -4.330  -8.993  -1.385
  150    H    ASP  19           H        ASP  19  -1.463  -9.867   0.190
  151    HA   ASP  19           HA       ASP  19  -1.358 -12.695   0.014
  152   1HB   ASP  19          2HB       ASP  19  -1.761 -10.859   2.377
  153   2HB   ASP  19          1HB       ASP  19  -1.554 -12.604   2.516
  154    H    GLY  20           H        GLY  20  -3.991 -10.518   1.174
  155   1HA   GLY  20          2HA       GLY  20  -5.940 -12.591   0.607
  156   2HA   GLY  20          1HA       GLY  20  -5.644 -12.351   2.311
  157    H    GLY  21           H        GLY  21  -7.619 -11.608   2.882
  158   1HA   GLY  21          2HA       GLY  21  -9.089  -9.837   3.325
  159   2HA   GLY  21          1HA       GLY  21  -8.359  -8.923   2.019
  160    H    GLU  22           H        GLU  22  -8.920 -11.816   0.649
  161    HA   GLU  22           HA       GLU  22 -11.435 -10.917  -0.555
  162   1HB   GLU  22          2HB       GLU  22  -9.386 -11.633  -1.904
  163   2HB   GLU  22          1HB       GLU  22  -9.737 -13.274  -1.388
  164   1HG   GLU  22          2HG       GLU  22 -10.637 -12.959  -3.573
  165   2HG   GLU  22          1HG       GLU  22 -11.977 -13.069  -2.432
  166    H    GLY  23           H        GLY  23 -13.341 -11.786   0.042
  167   1HA   GLY  23          2HA       GLY  23 -14.826 -13.064   1.285
  168   2HA   GLY  23          1HA       GLY  23 -14.162 -14.347   0.292
  169    H    ALA  24           H        ALA  24 -12.682 -15.802   1.202
  170    HA   ALA  24           HA       ALA  24 -12.650 -16.021   4.087
  171   1HB   ALA  24          1HB       ALA  24 -12.867 -18.010   2.675
  172   2HB   ALA  24          2HB       ALA  24 -11.425 -18.104   3.687
  173   3HB   ALA  24          3HB       ALA  24 -11.278 -17.697   1.976
  174    H    LEU  25           H        LEU  25 -11.334 -13.702   2.918
  175    HA   LEU  25           HA       LEU  25  -9.486 -12.453   2.913
  176   1HB   LEU  25          2HB       LEU  25  -8.158 -12.467   5.017
  177   2HB   LEU  25          1HB       LEU  25  -9.884 -12.304   5.223
  178    HG   LEU  25           HG       LEU  25  -9.883 -14.815   5.784
  179   1HD1  LEU  25          1HD1      LEU  25  -7.799 -15.702   6.695
  180   2HD1  LEU  25          2HD1      LEU  25  -6.940 -14.259   6.152
  181   3HD1  LEU  25          3HD1      LEU  25  -7.652 -15.363   4.973
  182   1HD2  LEU  25          1HD2      LEU  25  -9.276 -14.362   8.116
  183   2HD2  LEU  25          2HD2      LEU  25 -10.262 -13.072   7.432
  184   3HD2  LEU  25          3HD2      LEU  25  -8.523 -12.844   7.624
  185    H    GLY  26           H        GLY  26  -9.121 -14.618   1.217
  186   1HA   GLY  26          2HA       GLY  26  -6.175 -14.922   1.414
  187   2HA   GLY  26          1HA       GLY  26  -7.192 -16.276   0.975
  188    H    HIS  27           H        HIS  27  -4.986 -15.017  -0.504
  189    HA   HIS  27           HA       HIS  27  -6.413 -14.789  -3.067
  190   1HB   HIS  27          2HB       HIS  27  -4.324 -12.869  -2.032
  191   2HB   HIS  27          1HB       HIS  27  -4.560 -13.103  -3.760
  192    HD1  HIS  27           HD1      HIS  27  -5.599 -10.964  -1.123
  193    HD2  HIS  27           HD2      HIS  27  -7.465 -12.610  -4.449
  194    HE1  HIS  27           HE1      HIS  27  -7.621  -9.551  -1.516
  195    HE2  HIS  27           HE2      HIS  27  -8.827 -10.652  -3.438
  196    HA   PRO  28           HA       PRO  28  -3.455 -17.749  -4.490
  197   1HB   PRO  28          2HB       PRO  28  -3.186 -17.099  -7.125
  198   2HB   PRO  28          1HB       PRO  28  -4.613 -17.894  -6.454
  199   1HG   PRO  28          2HG       PRO  28  -4.187 -15.000  -7.107
  200   2HG   PRO  28          1HG       PRO  28  -5.612 -16.016  -7.394
  201   1HD   PRO  28          2HD       PRO  28  -5.454 -14.271  -5.324
  202   2HD   PRO  28          1HD       PRO  28  -6.367 -15.789  -5.224
  203    H    ARG  29           H        ARG  29  -2.453 -14.880  -6.401
  204    HA   ARG  29           HA       ARG  29  -0.013 -14.411  -5.197
  205   1HB   ARG  29          2HB       ARG  29   0.492 -16.748  -5.861
  206   2HB   ARG  29          1HB       ARG  29   0.238 -16.311  -7.539
  207   1HG   ARG  29          2HG       ARG  29   2.261 -14.802  -5.950
  208   2HG   ARG  29          1HG       ARG  29   2.642 -16.413  -6.522
  209   1HD   ARG  29          2HD       ARG  29   1.886 -15.561  -8.830
  210   2HD   ARG  29          1HD       ARG  29   2.012 -13.956  -8.123
  211    HE   ARG  29           HE       ARG  29   4.407 -15.140  -7.565
  212   1HH1  ARG  29          1HH1      ARG  29   2.643 -14.514 -10.460
  213   2HH1  ARG  29          2HH1      ARG  29   4.071 -14.371 -11.421
  214   1HH2  ARG  29          1HH2      ARG  29   6.221 -14.957  -8.812
  215   2HH2  ARG  29          2HH2      ARG  29   6.074 -14.602 -10.499
  216    H    VAL  30           H        VAL  30  -0.565 -12.396  -5.718
  217    HA   VAL  30           HA       VAL  30   0.190 -11.561  -8.433
  218    HB   VAL  30           HB       VAL  30  -1.460  -9.654  -8.286
  219   1HG1  VAL  30          1HG1      VAL  30  -1.874 -11.587  -9.719
  220   2HG1  VAL  30          2HG1      VAL  30  -3.380 -10.984  -9.028
  221   3HG1  VAL  30          3HG1      VAL  30  -2.629 -12.440  -8.373
  222   1HG2  VAL  30          1HG2      VAL  30  -3.389  -9.902  -6.792
  223   2HG2  VAL  30          2HG2      VAL  30  -1.892  -9.737  -5.877
  224   3HG2  VAL  30          3HG2      VAL  30  -2.644 -11.324  -6.056
  225    H    TRP  31           H        TRP  31   1.900 -10.277  -8.360
  226    HA   TRP  31           HA       TRP  31   2.564  -8.907  -5.845
  227   1HB   TRP  31          2HB       TRP  31   4.259  -9.612  -8.257
  228   2HB   TRP  31          1HB       TRP  31   4.846  -8.682  -6.880
  229    HD1  TRP  31           HD       TRP  31   3.273 -12.192  -7.515
  230    HE1  TRP  31           HE1      TRP  31   4.336 -13.840  -5.847
  231    HE3  TRP  31           HE3      TRP  31   6.223  -8.919  -4.917
  232    HZ2  TRP  31           HZ2      TRP  31   6.196 -13.760  -3.724
  233    HZ3  TRP  31           HZ3      TRP  31   7.617  -9.786  -3.083
  234    HH2  TRP  31           HH       TRP  31   7.601 -12.159  -2.499
  235    H    LEU  32           H        LEU  32   1.948  -6.856  -5.703
  236    HA   LEU  32           HA       LEU  32   1.575  -5.244  -8.102
  237   1HB   LEU  32          2HB       LEU  32   0.937  -4.688  -5.199
  238   2HB   LEU  32          1HB       LEU  32   0.657  -3.543  -6.499
  239    HG   LEU  32           HG       LEU  32  -0.863  -5.297  -7.550
  240   1HD1  LEU  32          1HD1      LEU  32  -0.618  -6.555  -4.818
  241   2HD1  LEU  32          2HD1      LEU  32  -0.085  -7.254  -6.348
  242   3HD1  LEU  32          3HD1      LEU  32  -1.802  -6.992  -6.053
  243   1HD2  LEU  32          1HD2      LEU  32  -2.756  -4.717  -6.126
  244   2HD2  LEU  32          2HD2      LEU  32  -1.717  -3.319  -6.396
  245   3HD2  LEU  32          3HD2      LEU  32  -1.655  -4.181  -4.859
  246    H    GLN  33           H        GLN  33   2.891  -3.673  -8.767
  247    HA   GLN  33           HA       GLN  33   5.301  -3.022  -7.221
  248   1HB   GLN  33          2HB       GLN  33   5.548  -3.634  -9.593
  249   2HB   GLN  33          1HB       GLN  33   4.471  -2.328 -10.060
  250   1HG   GLN  33          2HG       GLN  33   6.700  -1.638 -10.511
  251   2HG   GLN  33          1HG       GLN  33   6.124  -0.713  -9.130
  252   1HE2  GLN  33          1HE2      GLN  33   7.052  -1.061  -7.131
  253   2HE2  GLN  33          2HE2      GLN  33   8.517  -1.948  -6.927
  254    H    ILE  34           H        ILE  34   4.942  -1.495  -5.747
  255    HA   ILE  34           HA       ILE  34   3.098   0.613  -5.833
  256    HB   ILE  34           HB       ILE  34   5.712   0.408  -4.318
  257   1HG1  ILE  34          2HG1      ILE  34   2.872  -0.049  -3.374
  258   2HG1  ILE  34          1HG1      ILE  34   3.982  -1.335  -3.824
  259   1HG2  ILE  34          1HG2      ILE  34   4.827   2.167  -2.846
  260   2HG2  ILE  34          2HG2      ILE  34   3.433   2.353  -3.907
  261   3HG2  ILE  34          3HG2      ILE  34   5.047   2.746  -4.495
  262   1HD1  ILE  34          1HD1      ILE  34   4.368   0.623  -1.571
  263   2HD1  ILE  34          2HD1      ILE  34   5.476  -0.678  -2.011
  264   3HD1  ILE  34          3HD1      ILE  34   3.859  -1.055  -1.416
  265    HA   PRO  35           HA       PRO  35   5.309   3.274  -8.720
  266   1HB   PRO  35          2HB       PRO  35   3.496   5.253  -8.862
  267   2HB   PRO  35          1HB       PRO  35   3.186   3.673  -9.597
  268   1HG   PRO  35          2HG       PRO  35   2.248   4.742  -6.951
  269   2HG   PRO  35          1HG       PRO  35   1.312   3.895  -8.196
  270   1HD   PRO  35          2HD       PRO  35   2.317   2.652  -5.986
  271   2HD   PRO  35          1HD       PRO  35   2.095   1.819  -7.537
  272    H    GLU  36           H        GLU  36   7.112   4.040  -7.620
  273    HA   GLU  36           HA       GLU  36   7.100   5.563  -5.268
  274   1HB   GLU  36          2HB       GLU  36   9.108   4.455  -6.287
  275   2HB   GLU  36          1HB       GLU  36   9.157   5.741  -7.488
  276   1HG   GLU  36          2HG       GLU  36   9.484   7.391  -5.699
  277   2HG   GLU  36          1HG       GLU  36   9.456   6.092  -4.507
  278    H    ASP  37           H        ASP  37   6.337   6.429  -8.491
  279    HA   ASP  37           HA       ASP  37   6.582   9.187  -8.562
  280   1HB   ASP  37          2HB       ASP  37   4.187   7.651  -9.607
  281   2HB   ASP  37          1HB       ASP  37   4.871   9.143 -10.250
  282    H    THR  38           H        THR  38   3.989   7.203  -7.163
  283    HA   THR  38           HA       THR  38   2.735   9.566  -5.950
  284    HB   THR  38           HB       THR  38   0.869   8.122  -5.372
  285    HG1  THR  38           HG1      THR  38   0.920   5.900  -5.767
  286   1HG2  THR  38          1HG2      THR  38   0.859   8.993  -7.647
  287   2HG2  THR  38          2HG2      THR  38   0.150   7.378  -7.612
  288   3HG2  THR  38          3HG2      THR  38   1.797   7.605  -8.202
  289    H    GLY  39           H        GLY  39   3.740   6.289  -4.959
  290   1HA   GLY  39          2HA       GLY  39   5.278   6.116  -3.012
  291   2HA   GLY  39          1HA       GLY  39   4.272   7.331  -2.234
  292    H    TRP  40           H        TRP  40   2.250   5.353  -3.967
  293    HA   TRP  40           HA       TRP  40   1.927   3.200  -2.087
  294   1HB   TRP  40          2HB       TRP  40  -0.365   3.948  -1.324
  295   2HB   TRP  40          1HB       TRP  40   0.962   4.918  -0.690
  296    HD1  TRP  40           HD       TRP  40   1.062   7.462  -1.380
  297    HE1  TRP  40           HE1      TRP  40  -0.566   9.026  -2.607
  298    HE3  TRP  40           HE3      TRP  40  -2.168   3.965  -3.260
  299    HZ2  TRP  40           HZ2      TRP  40  -2.904   8.813  -4.165
  300    HZ3  TRP  40           HZ3      TRP  40  -4.072   4.733  -4.613
  301    HH2  TRP  40           HH       TRP  40  -4.430   7.108  -5.056
  302    H    VAL  41           H        VAL  41   0.135   1.746  -2.671
  303    HA   VAL  41           HA       VAL  41  -1.381   2.413  -5.084
  304    HB   VAL  41           HB       VAL  41   0.627   1.279  -5.964
  305   1HG1  VAL  41          1HG1      VAL  41   1.085  -1.068  -5.477
  306   2HG1  VAL  41          2HG1      VAL  41  -0.242  -1.096  -4.311
  307   3HG1  VAL  41          3HG1      VAL  41   1.177  -0.093  -4.009
  308   1HG2  VAL  41          1HG2      VAL  41  -1.882  -0.397  -6.173
  309   2HG2  VAL  41          2HG2      VAL  41  -0.513  -0.448  -7.288
  310   3HG2  VAL  41          3HG2      VAL  41  -1.490   1.016  -7.151
  311    H    GLU  42           H        GLU  42  -3.456   1.736  -4.890
  312    HA   GLU  42           HA       GLU  42  -4.145  -0.003  -2.645
  313   1HB   GLU  42          2HB       GLU  42  -6.515   0.622  -3.235
  314   2HB   GLU  42          1HB       GLU  42  -5.480   1.962  -2.760
  315   1HG   GLU  42          2HG       GLU  42  -5.194   2.575  -5.111
  316   2HG   GLU  42          1HG       GLU  42  -6.226   1.226  -5.588
  317    H    CYS  43           H        CYS  43  -5.135  -1.984  -2.808
  318    HA   CYS  43           HA       CYS  43  -4.503  -3.511  -5.131
  319   1HB   CYS  43          2HB       CYS  43  -4.417  -4.516  -2.912
  320   2HB   CYS  43          1HB       CYS  43  -6.142  -4.244  -2.696
  321    HG   CYS  43           HG       CYS  43  -4.778  -6.933  -3.696
  322    HA   PRO  44           HA       PRO  44  -8.288  -2.723  -7.403
  323   1HB   PRO  44          2HB       PRO  44  -7.866  -4.515  -9.414
  324   2HB   PRO  44          1HB       PRO  44  -7.030  -2.961  -9.318
  325   1HG   PRO  44          2HG       PRO  44  -6.064  -5.680  -8.501
  326   2HG   PRO  44          1HG       PRO  44  -5.203  -4.406  -9.385
  327   1HD   PRO  44          2HD       PRO  44  -4.830  -4.839  -6.739
  328   2HD   PRO  44          1HD       PRO  44  -4.721  -3.219  -7.461
  329    H    TYR  45           H        TYR  45  -7.313  -5.922  -6.296
  330    HA   TYR  45           HA       TYR  45  -9.887  -7.134  -6.779
  331   1HB   TYR  45          2HB       TYR  45  -7.534  -8.092  -5.124
  332   2HB   TYR  45          1HB       TYR  45  -8.983  -9.036  -5.432
  333    HD1  TYR  45           HD2      TYR  45  -9.468  -9.843  -7.737
  334    HD2  TYR  45           HD1      TYR  45  -5.791  -7.925  -6.766
  335    HE1  TYR  45           HE2      TYR  45  -8.455 -10.762  -9.778
  336    HE2  TYR  45           HE1      TYR  45  -4.768  -8.846  -8.807
  337    HH   TYR  45           HH       TYR  45  -6.596 -10.316 -11.292
  338    H    CYS  46           H        CYS  46  -8.400  -7.463  -3.631
  339    HA   CYS  46           HA       CYS  46 -10.041  -5.683  -2.175
  340   1HB   CYS  46          2HB       CYS  46 -11.855  -7.208  -2.805
  341   2HB   CYS  46          1HB       CYS  46 -10.948  -8.580  -2.176
  342    HG   CYS  46           HG       CYS  46 -11.162  -7.888   0.471
  343    H    ASP  47           H        ASP  47  -7.902  -5.373  -1.360
  344    HA   ASP  47           HA       ASP  47  -7.166  -7.274   0.758
  345   1HB   ASP  47          2HB       ASP  47  -5.760  -7.731  -1.236
  346   2HB   ASP  47          1HB       ASP  47  -5.207  -6.065  -1.220
  347    H    CYS  48           H        CYS  48  -5.080  -4.633  -0.124
  348    HA   CYS  48           HA       CYS  48  -6.310  -2.726   1.688
  349   1HB   CYS  48          2HB       CYS  48  -3.590  -3.941   2.241
  350   2HB   CYS  48          1HB       CYS  48  -4.147  -2.444   2.970
  351    HG   CYS  48           HG       CYS  48  -6.476  -4.617   3.556
  352    H    LYS  49           H        LYS  49  -4.360  -0.862   1.934
  353    HA   LYS  49           HA       LYS  49  -3.534  -0.271  -0.841
  354   1HB   LYS  49          2HB       LYS  49  -5.148   1.323   0.059
  355   2HB   LYS  49          1HB       LYS  49  -4.124   1.612   1.455
  356   1HG   LYS  49          2HG       LYS  49  -2.512   2.760   0.167
  357   2HG   LYS  49          1HG       LYS  49  -3.213   2.193  -1.352
  358   1HD   LYS  49          2HD       LYS  49  -3.757   4.570  -0.854
  359   2HD   LYS  49          1HD       LYS  49  -5.184   3.548  -1.016
  360   1HE   LYS  49          2HE       LYS  49  -5.281   3.374   1.463
  361   2HE   LYS  49          1HE       LYS  49  -3.931   4.503   1.561
  362   1HZ   LYS  49          1HZ       LYS  49  -6.563   5.099   0.312
  363   2HZ   LYS  49          2HZ       LYS  49  -5.282   6.185   0.520
  364   3HZ   LYS  49          3HZ       LYS  49  -6.092   5.575   1.867
  365    H    TYR  50           H        TYR  50  -1.413  -0.431  -1.230
  366    HA   TYR  50           HA       TYR  50   0.375  -0.992   0.977
  367   1HB   TYR  50          2HB       TYR  50   0.968  -0.995  -2.000
  368   2HB   TYR  50          1HB       TYR  50   1.915  -1.766  -0.728
  369    HD1  TYR  50           HD1      TYR  50   1.097  -3.822   0.355
  370    HD2  TYR  50           HD2      TYR  50  -1.066  -2.020  -2.839
  371    HE1  TYR  50           HE1      TYR  50  -0.221  -5.879   0.090
  372    HE2  TYR  50           HE2      TYR  50  -2.389  -4.073  -3.106
  373    HH   TYR  50           HH       TYR  50  -2.425  -6.539  -0.803
  374    H    VAL  51           H        VAL  51   1.503   0.573   1.953
  375    HA   VAL  51           HA       VAL  51   2.110   3.038   0.446
  376    HB   VAL  51           HB       VAL  51   1.825   2.677   3.439
  377   1HG1  VAL  51          1HG1      VAL  51   3.465   4.403   2.939
  378   2HG1  VAL  51          2HG1      VAL  51   1.982   5.141   3.542
  379   3HG1  VAL  51          3HG1      VAL  51   2.348   5.177   1.816
  380   1HG2  VAL  51          1HG2      VAL  51  -0.208   4.034   3.192
  381   2HG2  VAL  51          2HG2      VAL  51  -0.314   2.537   2.268
  382   3HG2  VAL  51          3HG2      VAL  51   0.018   4.059   1.443
  383    H    LEU  52           H        LEU  52   4.139   3.445  -0.030
  384    HA   LEU  52           HA       LEU  52   6.309   1.875   1.046
  385   1HB   LEU  52          2HB       LEU  52   6.181   2.520  -1.348
  386   2HB   LEU  52          1HB       LEU  52   6.349   4.203  -0.888
  387    HG   LEU  52           HG       LEU  52   8.614   3.723  -0.006
  388   1HD1  LEU  52          1HD1      LEU  52   8.145   0.964  -1.138
  389   2HD1  LEU  52          2HD1      LEU  52   8.296   1.373   0.571
  390   3HD1  LEU  52          3HD1      LEU  52   9.676   1.576  -0.508
  391   1HD2  LEU  52          1HD2      LEU  52   8.155   2.880  -2.872
  392   2HD2  LEU  52          2HD2      LEU  52   9.695   3.403  -2.190
  393   3HD2  LEU  52          3HD2      LEU  52   8.345   4.533  -2.290
  394    H    LYS  53           H        LYS  53   7.029   2.374   3.045
  395    HA   LYS  53           HA       LYS  53   6.780   4.908   4.280
  396   1HB   LYS  53          2HB       LYS  53   6.929   2.779   5.525
  397   2HB   LYS  53          1HB       LYS  53   8.607   2.612   5.029
  398   1HG   LYS  53          2HG       LYS  53   9.269   4.503   6.330
  399   2HG   LYS  53          1HG       LYS  53   7.589   4.938   6.653
  400   1HD   LYS  53          2HD       LYS  53   8.610   3.870   8.600
  401   2HD   LYS  53          1HD       LYS  53   7.302   2.882   7.952
  402   1HE   LYS  53          2HE       LYS  53   9.190   1.489   8.549
  403   2HE   LYS  53          1HE       LYS  53   8.958   1.476   6.802
  404   1HZ   LYS  53          1HZ       LYS  53  10.747   3.097   6.602
  405   2HZ   LYS  53          2HZ       LYS  53  11.283   1.690   7.369
  406   3HZ   LYS  53          3HZ       LYS  53  10.974   3.082   8.276
  407    H    GLY  54           H        GLY  54   8.384   6.468   4.843
  408   1HA   GLY  54          2HA       GLY  54  10.364   7.674   4.519
  409   2HA   GLY  54          1HA       GLY  54  10.951   6.397   3.464
  410    H    SER  55           H        SER  55   7.840   7.251   2.599
  411    HA   SER  55           HA       SER  55   8.800   9.003   0.423
  412   1HB   SER  55          2HB       SER  55   7.865   7.014  -0.517
  413   2HB   SER  55          1HB       SER  55   6.479   7.065   0.572
  414    HG   SER  55           HG       SER  55   6.754   8.182  -1.854
  415    H    LYS  56           H        LYS  56   6.976  10.470  -0.457
  416    HA   LYS  56           HA       LYS  56   6.092  12.246   1.550
  417   1HB   LYS  56          2HB       LYS  56   4.758  13.320  -0.247
  418   2HB   LYS  56          1HB       LYS  56   6.433  13.041  -0.701
  419   1HG   LYS  56          2HG       LYS  56   5.759  11.075  -1.999
  420   2HG   LYS  56          1HG       LYS  56   4.076  11.352  -1.537
  421   1HD   LYS  56          2HD       LYS  56   4.097  13.509  -2.677
  422   2HD   LYS  56          1HD       LYS  56   5.802  13.300  -3.080
  423   1HE   LYS  56          2HE       LYS  56   3.522  11.565  -4.038
  424   2HE   LYS  56          1HE       LYS  56   4.371  12.783  -4.991
  425   1HZ   LYS  56          1HZ       LYS  56   5.531  10.280  -3.883
  426   2HZ   LYS  56          2HZ       LYS  56   6.421  11.479  -4.680
  427   3HZ   LYS  56          3HZ       LYS  56   5.230  10.623  -5.513
  428    H    ALA  57           H        ALA  57   4.716   9.312   0.373
  429    HA   ALA  57           HA       ALA  57   2.023   9.751   1.261
  430   1HB   ALA  57          1HB       ALA  57   2.588   8.061  -0.429
  431   2HB   ALA  57          2HB       ALA  57   1.757   7.339   0.949
  432   3HB   ALA  57          3HB       ALA  57   3.501   7.155   0.778
  433    H    ASP  58           H        ASP  58   4.986   8.794   2.767
  434    HA   ASP  58           HA       ASP  58   3.675   8.054   5.279
  435   1HB   ASP  58          2HB       ASP  58   5.480   6.618   4.572
  436   2HB   ASP  58          1HB       ASP  58   6.549   7.991   4.332
  437    H    ALA  59           H        ALA  59   5.193  10.700   3.725
  438    HA   ALA  59           HA       ALA  59   5.606  12.855   4.299
  439   1HB   ALA  59          1HB       ALA  59   4.342  12.208   6.969
  440   2HB   ALA  59          2HB       ALA  59   3.488  12.814   5.550
  441   3HB   ALA  59          3HB       ALA  59   4.703  13.816   6.344
  442    H    LEU  60           H        LEU  60   7.745  13.041   4.302
  443    HA   LEU  60           HA       LEU  60   9.603  11.558   5.646
  444   1HB   LEU  60          2HB       LEU  60   9.887  14.439   4.786
  445   2HB   LEU  60          1HB       LEU  60  11.221  13.369   5.178
  446    HG   LEU  60           HG       LEU  60   9.283  13.031   2.882
  447   1HD1  LEU  60          1HD1      LEU  60  12.229  13.683   2.876
  448   2HD1  LEU  60          2HD1      LEU  60  10.923  14.821   2.546
  449   3HD1  LEU  60          3HD1      LEU  60  11.201  13.461   1.458
  450   1HD2  LEU  60          1HD2      LEU  60   9.925  10.859   3.773
  451   2HD2  LEU  60          2HD2      LEU  60  11.630  11.314   3.706
  452   3HD2  LEU  60          3HD2      LEU  60  10.707  11.137   2.215
  453    H    GLU  61           H        GLU  61  11.048  11.950   7.374
  454    HA   GLU  61           HA       GLU  61  11.514  12.247   9.561
  455   1HB   GLU  61          2HB       GLU  61   9.594  14.587   9.446
  456   2HB   GLU  61          1HB       GLU  61  10.639  14.201  10.806
  457   1HG   GLU  61          2HG       GLU  61  11.526  14.988   8.034
  458   2HG   GLU  61          1HG       GLU  61  11.590  15.988   9.483
  459    H    HIS  62           H        HIS  62   8.143  13.343   9.873
  460    HA   HIS  62           HA       HIS  62   6.345  12.446  10.960
  461   1HB   HIS  62          2HB       HIS  62   6.636  10.981   8.875
  462   2HB   HIS  62          1HB       HIS  62   7.330   9.774   9.943
  463    HD1  HIS  62           HD1      HIS  62   4.931   8.864   8.489
  464    HD2  HIS  62           HD2      HIS  62   4.618  10.935  12.086
  465    HE1  HIS  62           HE1      HIS  62   2.679   8.271   9.419
  466    HE2  HIS  62           HE2      HIS  62   2.447   9.663  11.500
  467    H    HIS  63           H        HIS  63   8.861  12.590  12.487
  468    HA   HIS  63           HA       HIS  63   9.678  12.082  14.526
  469   1HB   HIS  63          2HB       HIS  63   7.304  12.402  15.183
  470   2HB   HIS  63          1HB       HIS  63   7.033  10.677  14.963
  471    HD1  HIS  63           HD1      HIS  63   7.425   9.241  16.959
  472    HD2  HIS  63           HD2      HIS  63   9.249  12.954  17.335
  473    HE1  HIS  63           HE1      HIS  63   8.332   9.310  19.298
  474    HE2  HIS  63           HE2      HIS  63   9.290  11.621  19.548
  475    H    HIS  64           H        HIS  64  10.054  10.163  12.263
  476    HA   HIS  64           HA       HIS  64  10.192   7.535  13.416
  477   1HB   HIS  64          2HB       HIS  64  11.482   8.646  10.909
  478   2HB   HIS  64          1HB       HIS  64  11.507   6.951  11.380
  479    HD1  HIS  64           HD1      HIS  64   8.518   6.659  12.210
  480    HD2  HIS  64           HD2      HIS  64   9.846   8.487   8.721
  481    HE1  HIS  64           HE1      HIS  64   6.583   6.558  10.622
  482    HE2  HIS  64           HE2      HIS  64   7.467   7.501   8.465
  483    H    HIS  65           H        HIS  65  12.012  10.251  13.986
  484    HA   HIS  65           HA       HIS  65  14.643   9.202  14.128
  485   1HB   HIS  65          2HB       HIS  65  14.197  11.614  14.063
  486   2HB   HIS  65          1HB       HIS  65  13.423  11.524  15.642
  487    HD1  HIS  65           HD1      HIS  65  14.955  11.259  17.698
  488    HD2  HIS  65           HD2      HIS  65  17.018  11.543  14.104
  489    HE1  HIS  65           HE1      HIS  65  17.344  11.667  18.330
  490    HE2  HIS  65           HE2      HIS  65  18.594  11.665  16.151
  491    H    HIS  66           H        HIS  66  15.238   7.561  15.392
  492    HA   HIS  66           HA       HIS  66  13.871   6.990  17.889
  493   1HB   HIS  66          2HB       HIS  66  16.068   5.571  16.375
  494   2HB   HIS  66          1HB       HIS  66  15.471   5.019  17.939
  495    HD1  HIS  66           HD1      HIS  66  14.353   5.448  14.351
  496    HD2  HIS  66           HD2      HIS  66  13.077   3.628  17.864
  497    HE1  HIS  66           HE1      HIS  66  12.415   3.999  13.693
  498    HE2  HIS  66           HE2      HIS  66  11.577   3.022  15.851
  499    H    HIS  67           H        HIS  67  15.265   6.389  19.841
  500    HA   HIS  67           HA       HIS  67  17.622   8.079  20.185
  501   1HB   HIS  67          2HB       HIS  67  15.771   9.629  20.613
  502   2HB   HIS  67          1HB       HIS  67  15.085   8.518  21.793
  503    HD1  HIS  67           HD1      HIS  67  16.346   8.301  24.086
  504    HD2  HIS  67           HD2      HIS  67  17.831  11.241  21.551
  505    HE1  HIS  67           HE1      HIS  67  17.793   9.761  25.522
  506    HE2  HIS  67           HE2      HIS  67  18.790  11.444  23.945
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1 -18.005  13.091   5.304
    2   2H    MET   1          2H        MET   1 -17.738  12.331   6.789
    3   3H    MET   1          3H        MET   1 -18.157  11.413   5.433
    4    HA   MET   1           HA       MET   1 -16.101  11.981   4.346
    5   1HB   MET   1          2HB       MET   1 -15.833  14.200   5.366
    6   2HB   MET   1          1HB       MET   1 -15.503  13.462   6.924
    7   1HG   MET   1          2HG       MET   1 -13.793  13.022   4.490
    8   2HG   MET   1          1HG       MET   1 -13.498  14.295   5.670
    9   1HE   MET   1          1HE       MET   1 -11.369  12.034   4.805
   10   2HE   MET   1          2HE       MET   1 -10.669  11.615   6.369
   11   3HE   MET   1          3HE       MET   1 -10.987  13.304   5.972
   12    H    THR   2           H        THR   2 -14.920  10.156   4.313
   13    HA   THR   2           HA       THR   2 -14.267   8.828   6.876
   14    HB   THR   2           HB       THR   2 -14.450   6.620   5.772
   15    HG1  THR   2           HG1      THR   2 -15.243   6.425   3.723
   16   1HG2  THR   2          1HG2      THR   2 -17.000   8.244   5.597
   17   2HG2  THR   2          2HG2      THR   2 -16.366   7.479   7.055
   18   3HG2  THR   2          3HG2      THR   2 -16.893   6.485   5.698
   19    H    ILE   3           H        ILE   3 -12.248   7.849   7.018
   20    HA   ILE   3           HA       ILE   3 -10.197   8.753   5.218
   21    HB   ILE   3           HB       ILE   3 -10.035   6.698   7.445
   22   1HG1  ILE   3          2HG1      ILE   3  -9.404   9.666   7.462
   23   2HG1  ILE   3          1HG1      ILE   3 -10.796   8.909   8.228
   24   1HG2  ILE   3          1HG2      ILE   3  -7.827   8.226   6.051
   25   2HG2  ILE   3          2HG2      ILE   3  -8.168   6.507   5.870
   26   3HG2  ILE   3          3HG2      ILE   3  -7.620   7.136   7.423
   27   1HD1  ILE   3          1HD1      ILE   3  -7.911   8.444   8.961
   28   2HD1  ILE   3          2HD1      ILE   3  -9.309   7.693   9.733
   29   3HD1  ILE   3          3HD1      ILE   3  -9.069   9.436   9.851
   30    H    GLN   4           H        GLN   4 -12.219   5.977   5.441
   31    HA   GLN   4           HA       GLN   4 -12.483   4.096   4.221
   32   1HB   GLN   4          2HB       GLN   4 -10.630   5.485   2.269
   33   2HB   GLN   4          1HB       GLN   4 -11.523   4.011   1.917
   34   1HG   GLN   4          2HG       GLN   4 -13.632   5.209   2.205
   35   2HG   GLN   4          1HG       GLN   4 -12.748   6.683   2.598
   36   1HE2  GLN   4          1HE2      GLN   4 -10.686   6.216   0.585
   37   2HE2  GLN   4          2HE2      GLN   4 -11.424   6.541  -0.939
   38    H    ALA   5           H        ALA   5  -9.195   4.558   3.047
   39    HA   ALA   5           HA       ALA   5  -7.345   3.231   3.132
   40   1HB   ALA   5          1HB       ALA   5  -6.430   2.957   5.355
   41   2HB   ALA   5          2HB       ALA   5  -8.017   3.230   6.071
   42   3HB   ALA   5          3HB       ALA   5  -7.203   4.536   5.206
   43    HA   PRO   6           HA       PRO   6  -9.502  -0.921   3.248
   44   1HB   PRO   6          2HB       PRO   6  -7.953  -1.270   0.745
   45   2HB   PRO   6          1HB       PRO   6  -9.671  -1.552   1.052
   46   1HG   PRO   6          2HG       PRO   6  -8.838   0.531  -0.417
   47   2HG   PRO   6          1HG       PRO   6 -10.242   0.657   0.662
   48   1HD   PRO   6          2HD       PRO   6  -7.428   1.623   1.089
   49   2HD   PRO   6          1HD       PRO   6  -8.967   2.431   1.470
   50    H    GLU   7           H        GLU   7  -7.982  -1.088   5.096
   51    HA   GLU   7           HA       GLU   7  -6.213  -1.877   6.258
   52   1HB   GLU   7          2HB       GLU   7  -7.121  -3.932   4.879
   53   2HB   GLU   7          1HB       GLU   7  -5.575  -3.805   4.054
   54   1HG   GLU   7          2HG       GLU   7  -5.954  -4.171   7.026
   55   2HG   GLU   7          1HG       GLU   7  -5.541  -5.436   5.879
   56    H    THR   8           H        THR   8  -4.569  -0.488   6.462
   57    HA   THR   8           HA       THR   8  -3.003   0.252   4.079
   58    HB   THR   8           HB       THR   8  -3.242   1.680   6.742
   59    HG1  THR   8           HG1      THR   8  -5.119   1.691   5.295
   60   1HG2  THR   8          1HG2      THR   8  -1.076   2.122   5.698
   61   2HG2  THR   8          2HG2      THR   8  -2.105   3.552   5.605
   62   3HG2  THR   8          3HG2      THR   8  -1.872   2.537   4.178
   63    H    LYS   9           H        LYS   9  -0.986  -0.452   3.828
   64    HA   LYS   9           HA       LYS   9   0.582  -1.169   6.235
   65   1HB   LYS   9          2HB       LYS   9   0.314  -2.606   3.610
   66   2HB   LYS   9          1HB       LYS   9   1.818  -2.726   4.512
   67   1HG   LYS   9          2HG       LYS   9   0.595  -3.607   6.442
   68   2HG   LYS   9          1HG       LYS   9  -0.913  -3.492   5.536
   69   1HD   LYS   9          2HD       LYS   9  -0.203  -5.153   3.979
   70   2HD   LYS   9          1HD       LYS   9   1.450  -5.124   4.600
   71   1HE   LYS   9          2HE       LYS   9   0.135  -7.097   5.352
   72   2HE   LYS   9          1HE       LYS   9   0.745  -6.112   6.679
   73   1HZ   LYS   9          1HZ       LYS   9  -1.421  -5.124   6.931
   74   2HZ   LYS   9          2HZ       LYS   9  -1.569  -6.807   6.995
   75   3HZ   LYS   9          3HZ       LYS   9  -2.019  -5.972   5.597
   76    H    ILE  10           H        ILE  10   2.011   0.422   6.519
   77    HA   ILE  10           HA       ILE  10   3.186   1.841   4.277
   78    HB   ILE  10           HB       ILE  10   3.991   2.093   7.186
   79   1HG1  ILE  10          2HG1      ILE  10   1.750   3.557   5.757
   80   2HG1  ILE  10          1HG1      ILE  10   1.535   2.330   7.001
   81   1HG2  ILE  10          1HG2      ILE  10   5.461   3.189   5.575
   82   2HG2  ILE  10          2HG2      ILE  10   4.592   4.386   6.530
   83   3HG2  ILE  10          3HG2      ILE  10   4.089   4.042   4.874
   84   1HD1  ILE  10          1HD1      ILE  10   2.869   5.003   7.374
   85   2HD1  ILE  10          2HD1      ILE  10   2.638   3.776   8.620
   86   3HD1  ILE  10          3HD1      ILE  10   1.240   4.567   7.894
   87    H    VAL  11           H        VAL  11   4.258   0.061   3.245
   88    HA   VAL  11           HA       VAL  11   6.266  -1.439   4.770
   89    HB   VAL  11           HB       VAL  11   5.584  -1.877   1.868
   90   1HG1  VAL  11          1HG1      VAL  11   6.611  -3.749   4.002
   91   2HG1  VAL  11          2HG1      VAL  11   7.564  -3.022   2.713
   92   3HG1  VAL  11          3HG1      VAL  11   6.291  -4.172   2.320
   93   1HG2  VAL  11          1HG2      VAL  11   3.467  -1.899   3.078
   94   2HG2  VAL  11          2HG2      VAL  11   4.129  -3.043   4.245
   95   3HG2  VAL  11          3HG2      VAL  11   3.903  -3.528   2.565
   96    H    ASP  12           H        ASP  12   8.441  -1.641   4.075
   97    HA   ASP  12           HA       ASP  12   9.523   0.858   3.134
   98   1HB   ASP  12          2HB       ASP  12  10.907  -1.690   4.016
   99   2HB   ASP  12          1HB       ASP  12  11.715  -0.161   3.685
  100    H    LYS  13           H        LYS  13   8.826  -2.225   1.745
  101    HA   LYS  13           HA       LYS  13  10.380  -1.535  -0.654
  102   1HB   LYS  13          2HB       LYS  13  10.154  -3.912  -1.318
  103   2HB   LYS  13          1HB       LYS  13  11.004  -3.704   0.207
  104   1HG   LYS  13          2HG       LYS  13   9.071  -4.401   1.451
  105   2HG   LYS  13          1HG       LYS  13   8.082  -4.429  -0.007
  106   1HD   LYS  13          2HD       LYS  13   8.773  -6.691   0.667
  107   2HD   LYS  13          1HD       LYS  13   9.426  -6.256  -0.913
  108   1HE   LYS  13          2HE       LYS  13  11.117  -7.388   0.415
  109   2HE   LYS  13          1HE       LYS  13  11.583  -5.708   0.151
  110   1HZ   LYS  13          1HZ       LYS  13  10.845  -5.177   2.370
  111   2HZ   LYS  13          2HZ       LYS  13  11.959  -6.445   2.439
  112   3HZ   LYS  13          3HZ       LYS  13  10.310  -6.759   2.620
  113    H    SER  14           H        SER  14   9.414  -1.659  -2.721
  114    HA   SER  14           HA       SER  14   6.643  -0.827  -2.734
  115   1HB   SER  14          2HB       SER  14   7.029  -0.449  -5.163
  116   2HB   SER  14          1HB       SER  14   8.210   0.361  -4.152
  117    HG   SER  14           HG       SER  14   9.634  -0.660  -5.318
  118    H    ARG  15           H        ARG  15   8.480  -3.547  -4.083
  119    HA   ARG  15           HA       ARG  15   6.187  -4.628  -5.444
  120   1HB   ARG  15          2HB       ARG  15   8.931  -5.815  -4.979
  121   2HB   ARG  15          1HB       ARG  15   7.706  -6.473  -6.062
  122   1HG   ARG  15          2HG       ARG  15   7.804  -4.490  -7.442
  123   2HG   ARG  15          1HG       ARG  15   8.924  -3.727  -6.316
  124   1HD   ARG  15          2HD       ARG  15  10.573  -5.496  -6.789
  125   2HD   ARG  15          1HD       ARG  15   9.453  -6.220  -7.942
  126    HE   ARG  15           HE       ARG  15  10.474  -3.480  -8.285
  127   1HH1  ARG  15          1HH1      ARG  15   9.914  -6.652  -9.510
  128   2HH1  ARG  15          2HH1      ARG  15  10.461  -6.242 -11.100
  129   1HH2  ARG  15          1HH2      ARG  15  11.171  -2.972 -10.312
  130   2HH2  ARG  15          2HH2      ARG  15  11.167  -4.180 -11.553
  131    H    VAL  16           H        VAL  16   4.653  -5.043  -3.905
  132    HA   VAL  16           HA       VAL  16   5.266  -7.135  -1.905
  133    HB   VAL  16           HB       VAL  16   2.961  -5.169  -1.891
  134   1HG1  VAL  16          1HG1      VAL  16   2.579  -5.953   0.400
  135   2HG1  VAL  16          2HG1      VAL  16   3.895  -7.113   0.227
  136   3HG1  VAL  16          3HG1      VAL  16   2.443  -7.278  -0.758
  137   1HG2  VAL  16          1HG2      VAL  16   4.160  -4.074  -0.032
  138   2HG2  VAL  16          2HG2      VAL  16   5.068  -4.005  -1.540
  139   3HG2  VAL  16          3HG2      VAL  16   5.527  -5.161  -0.292
  140    H    ALA  17           H        ALA  17   4.500  -9.108  -2.338
  141    HA   ALA  17           HA       ALA  17   2.351  -9.452  -4.302
  142   1HB   ALA  17          1HB       ALA  17   3.037 -11.785  -4.383
  143   2HB   ALA  17          2HB       ALA  17   4.171 -11.512  -3.058
  144   3HB   ALA  17          3HB       ALA  17   4.430 -10.723  -4.613
  145    H    CYS  18           H        CYS  18   0.605 -10.966  -3.909
  146    HA   CYS  18           HA       CYS  18   0.075 -11.743  -1.142
  147   1HB   CYS  18          2HB       CYS  18  -0.902  -9.500  -1.277
  148   2HB   CYS  18          1HB       CYS  18  -1.811  -9.963  -2.712
  149    HG   CYS  18           HG       CYS  18  -3.903 -10.484  -1.326
  150    H    ASP  19           H        ASP  19  -1.125 -13.581  -0.974
  151    HA   ASP  19           HA       ASP  19  -2.063 -14.831  -3.450
  152   1HB   ASP  19          2HB       ASP  19  -2.404 -16.850  -1.940
  153   2HB   ASP  19          1HB       ASP  19  -0.743 -16.311  -2.154
  154    H    GLY  20           H        GLY  20  -3.421 -14.420  -0.136
  155   1HA   GLY  20          2HA       GLY  20  -5.701 -13.062  -0.751
  156   2HA   GLY  20          1HA       GLY  20  -6.117 -14.726  -1.122
  157    H    GLY  21           H        GLY  21  -7.645 -14.958   0.493
  158   1HA   GLY  21          2HA       GLY  21  -6.594 -15.004   3.259
  159   2HA   GLY  21          1HA       GLY  21  -8.136 -14.245   2.898
  160    H    GLU  22           H        GLU  22  -9.940 -15.527   2.448
  161    HA   GLU  22           HA       GLU  22  -9.967 -18.148   3.580
  162   1HB   GLU  22          2HB       GLU  22 -12.075 -16.799   1.864
  163   2HB   GLU  22          1HB       GLU  22 -12.320 -18.185   2.915
  164   1HG   GLU  22          2HG       GLU  22 -11.529 -15.426   3.840
  165   2HG   GLU  22          1HG       GLU  22 -13.163 -16.084   3.881
  166    H    GLY  23           H        GLY  23 -10.558 -20.139   2.475
  167   1HA   GLY  23          2HA       GLY  23  -9.032 -20.946   0.369
  168   2HA   GLY  23          1HA       GLY  23 -10.575 -21.683   0.761
  169    H    ALA  24           H        ALA  24 -12.370 -19.721   0.065
  170    HA   ALA  24           HA       ALA  24 -12.405 -19.884  -2.798
  171   1HB   ALA  24          1HB       ALA  24 -14.532 -18.698  -2.635
  172   2HB   ALA  24          2HB       ALA  24 -14.212 -18.341  -0.936
  173   3HB   ALA  24          3HB       ALA  24 -14.448 -20.009  -1.457
  174    H    LEU  25           H        LEU  25 -11.275 -17.502  -0.549
  175    HA   LEU  25           HA       LEU  25 -11.305 -15.347  -2.535
  176   1HB   LEU  25          2HB       LEU  25 -10.447 -15.334   0.363
  177   2HB   LEU  25          1HB       LEU  25 -10.528 -13.923  -0.675
  178    HG   LEU  25           HG       LEU  25 -12.868 -15.610   0.233
  179   1HD1  LEU  25          1HD1      LEU  25 -12.100 -12.774   0.930
  180   2HD1  LEU  25          2HD1      LEU  25 -11.948 -14.178   1.989
  181   3HD1  LEU  25          3HD1      LEU  25 -13.545 -13.629   1.478
  182   1HD2  LEU  25          1HD2      LEU  25 -12.824 -13.156  -1.531
  183   2HD2  LEU  25          2HD2      LEU  25 -14.272 -13.915  -0.867
  184   3HD2  LEU  25          3HD2      LEU  25 -13.267 -14.792  -2.021
  185    H    GLY  26           H        GLY  26  -9.430 -17.818  -2.446
  186   1HA   GLY  26          2HA       GLY  26  -6.796 -16.693  -2.144
  187   2HA   GLY  26          1HA       GLY  26  -7.190 -18.279  -2.784
  188    H    HIS  27           H        HIS  27  -6.250 -15.096  -3.550
  189    HA   HIS  27           HA       HIS  27  -6.964 -15.167  -6.349
  190   1HB   HIS  27          2HB       HIS  27  -5.010 -13.331  -4.919
  191   2HB   HIS  27          1HB       HIS  27  -5.696 -13.081  -6.524
  192    HD1  HIS  27           HD1      HIS  27  -6.022 -11.472  -3.566
  193    HD2  HIS  27           HD2      HIS  27  -8.845 -13.455  -5.893
  194    HE1  HIS  27           HE1      HIS  27  -8.246 -10.524  -2.889
  195    HE2  HIS  27           HE2      HIS  27  -9.936 -11.841  -4.199
  196    HA   PRO  28           HA       PRO  28  -3.498 -17.512  -7.814
  197   1HB   PRO  28          2HB       PRO  28  -3.522 -15.987 -10.329
  198   2HB   PRO  28          1HB       PRO  28  -3.961 -17.671 -10.038
  199   1HG   PRO  28          2HG       PRO  28  -5.807 -15.801 -10.642
  200   2HG   PRO  28          1HG       PRO  28  -6.160 -17.154  -9.548
  201   1HD   PRO  28          2HD       PRO  28  -5.471 -14.306  -8.872
  202   2HD   PRO  28          1HD       PRO  28  -6.735 -15.350  -8.184
  203    H    ARG  29           H        ARG  29  -2.498 -15.414  -6.201
  204    HA   ARG  29           HA       ARG  29  -0.625 -14.423  -5.649
  205   1HB   ARG  29          2HB       ARG  29   0.276 -16.562  -6.747
  206   2HB   ARG  29          1HB       ARG  29   0.689 -15.517  -8.101
  207   1HG   ARG  29          2HG       ARG  29   2.601 -15.688  -6.701
  208   2HG   ARG  29          1HG       ARG  29   1.947 -14.066  -6.500
  209   1HD   ARG  29          2HD       ARG  29   2.430 -14.841  -4.319
  210   2HD   ARG  29          1HD       ARG  29   0.694 -14.959  -4.491
  211    HE   ARG  29           HE       ARG  29   1.241 -17.401  -5.089
  212   1HH1  ARG  29          1HH1      ARG  29   2.967 -15.516  -2.767
  213   2HH1  ARG  29          2HH1      ARG  29   3.408 -16.894  -1.821
  214   1HH2  ARG  29          1HH2      ARG  29   1.816 -19.147  -3.868
  215   2HH2  ARG  29          2HH2      ARG  29   2.789 -18.937  -2.455
  216    H    VAL  30           H        VAL  30  -1.350 -12.423  -5.898
  217    HA   VAL  30           HA       VAL  30  -0.834 -10.995  -8.420
  218    HB   VAL  30           HB       VAL  30  -2.092  -9.104  -7.401
  219   1HG1  VAL  30          1HG1      VAL  30  -3.531 -11.765  -7.430
  220   2HG1  VAL  30          2HG1      VAL  30  -3.244 -10.713  -8.816
  221   3HG1  VAL  30          3HG1      VAL  30  -4.308 -10.181  -7.514
  222   1HG2  VAL  30          1HG2      VAL  30  -3.376  -9.479  -5.338
  223   2HG2  VAL  30          2HG2      VAL  30  -1.642  -9.562  -5.036
  224   3HG2  VAL  30          3HG2      VAL  30  -2.592 -11.045  -5.130
  225    H    TRP  31           H        TRP  31   0.930  -9.792  -8.686
  226    HA   TRP  31           HA       TRP  31   2.513  -8.999  -6.328
  227   1HB   TRP  31          2HB       TRP  31   3.276  -9.364  -9.232
  228   2HB   TRP  31          1HB       TRP  31   4.353  -8.641  -8.041
  229    HD1  TRP  31           HD       TRP  31   2.458 -12.007  -8.554
  230    HE1  TRP  31           HE1      TRP  31   3.912 -13.887  -7.550
  231    HE3  TRP  31           HE3      TRP  31   6.266  -9.167  -6.653
  232    HZ2  TRP  31           HZ2      TRP  31   6.344 -14.128  -6.149
  233    HZ3  TRP  31           HZ3      TRP  31   8.121 -10.305  -5.500
  234    HH2  TRP  31           HH       TRP  31   8.158 -12.730  -5.252
  235    H    LEU  32           H        LEU  32   2.210  -6.960  -5.657
  236    HA   LEU  32           HA       LEU  32   1.306  -4.936  -7.589
  237   1HB   LEU  32          2HB       LEU  32   1.274  -4.936  -4.565
  238   2HB   LEU  32          1HB       LEU  32   0.762  -3.584  -5.554
  239    HG   LEU  32           HG       LEU  32  -0.968  -5.164  -6.580
  240   1HD1  LEU  32          1HD1      LEU  32  -1.630  -7.089  -5.233
  241   2HD1  LEU  32          2HD1      LEU  32  -0.258  -6.821  -4.158
  242   3HD1  LEU  32          3HD1      LEU  32   0.014  -7.274  -5.842
  243   1HD2  LEU  32          1HD2      LEU  32  -2.519  -4.858  -4.692
  244   2HD2  LEU  32          2HD2      LEU  32  -1.581  -3.407  -5.035
  245   3HD2  LEU  32          3HD2      LEU  32  -1.153  -4.428  -3.660
  246    H    GLN  33           H        GLN  33   2.575  -3.381  -8.281
  247    HA   GLN  33           HA       GLN  33   5.145  -2.800  -6.940
  248   1HB   GLN  33          2HB       GLN  33   5.412  -3.412  -9.249
  249   2HB   GLN  33          1HB       GLN  33   4.119  -2.336  -9.753
  250   1HG   GLN  33          2HG       GLN  33   6.179  -1.357 -10.401
  251   2HG   GLN  33          1HG       GLN  33   5.544  -0.408  -9.064
  252   1HE2  GLN  33          1HE2      GLN  33   6.652  -0.372  -7.141
  253   2HE2  GLN  33          2HE2      GLN  33   8.232  -1.044  -6.950
  254    H    ILE  34           H        ILE  34   4.886  -1.219  -5.477
  255    HA   ILE  34           HA       ILE  34   3.016   0.910  -5.672
  256    HB   ILE  34           HB       ILE  34   5.548   0.740  -4.023
  257   1HG1  ILE  34          2HG1      ILE  34   2.671   0.219  -3.226
  258   2HG1  ILE  34          1HG1      ILE  34   3.868  -1.031  -3.529
  259   1HG2  ILE  34          1HG2      ILE  34   4.495   2.505  -2.631
  260   2HG2  ILE  34          2HG2      ILE  34   3.231   2.664  -3.845
  261   3HG2  ILE  34          3HG2      ILE  34   4.903   3.049  -4.255
  262   1HD1  ILE  34          1HD1      ILE  34   3.967   1.039  -1.346
  263   2HD1  ILE  34          2HD1      ILE  34   5.206  -0.177  -1.659
  264   3HD1  ILE  34          3HD1      ILE  34   3.590  -0.675  -1.159
  265    HA   PRO  35           HA       PRO  35   5.472   3.360  -8.559
  266   1HB   PRO  35          2HB       PRO  35   3.676   5.332  -8.973
  267   2HB   PRO  35          1HB       PRO  35   3.478   3.722  -9.679
  268   1HG   PRO  35          2HG       PRO  35   2.173   4.905  -7.259
  269   2HG   PRO  35          1HG       PRO  35   1.463   3.898  -8.532
  270   1HD   PRO  35          2HD       PRO  35   2.247   2.942  -6.075
  271   2HD   PRO  35          1HD       PRO  35   2.164   1.948  -7.538
  272    H    GLU  36           H        GLU  36   7.144   4.153  -7.365
  273    HA   GLU  36           HA       GLU  36   7.170   5.715  -5.109
  274   1HB   GLU  36          2HB       GLU  36   9.425   6.404  -5.733
  275   2HB   GLU  36          1HB       GLU  36   9.176   4.705  -6.100
  276   1HG   GLU  36          2HG       GLU  36   9.119   6.970  -8.095
  277   2HG   GLU  36          1HG       GLU  36  10.444   5.839  -7.851
  278    H    ASP  37           H        ASP  37   6.484   6.735  -8.363
  279    HA   ASP  37           HA       ASP  37   6.758   9.471  -8.288
  280   1HB   ASP  37          2HB       ASP  37   6.060   8.206 -10.268
  281   2HB   ASP  37          1HB       ASP  37   4.502   7.874  -9.523
  282    H    THR  38           H        THR  38   3.976   7.588  -7.064
  283    HA   THR  38           HA       THR  38   2.900  10.046  -5.837
  284    HB   THR  38           HB       THR  38   1.338   8.794  -7.314
  285    HG1  THR  38           HG1      THR  38  -0.388   8.977  -5.899
  286   1HG2  THR  38          1HG2      THR  38   0.384   6.686  -6.613
  287   2HG2  THR  38          2HG2      THR  38   1.404   6.670  -5.178
  288   3HG2  THR  38          3HG2      THR  38   2.134   6.507  -6.775
  289    H    GLY  39           H        GLY  39   3.967   6.758  -5.059
  290   1HA   GLY  39          2HA       GLY  39   5.164   6.410  -3.007
  291   2HA   GLY  39          1HA       GLY  39   4.171   7.636  -2.249
  292    H    TRP  40           H        TRP  40   2.173   5.586  -4.038
  293    HA   TRP  40           HA       TRP  40   1.812   3.583  -1.984
  294   1HB   TRP  40          2HB       TRP  40  -0.502   4.267  -1.413
  295   2HB   TRP  40          1HB       TRP  40   0.686   5.465  -0.917
  296    HD1  TRP  40           HD       TRP  40   0.764   7.779  -2.372
  297    HE1  TRP  40           HE1      TRP  40  -1.065   8.955  -3.737
  298    HE3  TRP  40           HE3      TRP  40  -2.500   3.874  -2.900
  299    HZ2  TRP  40           HZ2      TRP  40  -3.555   8.320  -4.901
  300    HZ3  TRP  40           HZ3      TRP  40  -4.580   4.244  -4.162
  301    HH2  TRP  40           HH       TRP  40  -5.095   6.420  -5.142
  302    H    VAL  41           H        VAL  41   0.035   2.047  -2.477
  303    HA   VAL  41           HA       VAL  41  -1.236   2.280  -5.097
  304    HB   VAL  41           HB       VAL  41   0.995   1.044  -5.395
  305   1HG1  VAL  41          1HG1      VAL  41   1.077  -1.303  -4.753
  306   2HG1  VAL  41          2HG1      VAL  41  -0.489  -1.156  -3.956
  307   3HG1  VAL  41          3HG1      VAL  41   0.904  -0.273  -3.334
  308   1HG2  VAL  41          1HG2      VAL  41  -1.534  -0.408  -6.185
  309   2HG2  VAL  41          2HG2      VAL  41   0.051  -0.603  -6.934
  310   3HG2  VAL  41          3HG2      VAL  41  -0.799   0.937  -7.054
  311    H    GLU  42           H        GLU  42  -2.921   0.507  -5.366
  312    HA   GLU  42           HA       GLU  42  -3.641  -0.845  -2.880
  313   1HB   GLU  42          2HB       GLU  42  -6.064  -0.150  -3.230
  314   2HB   GLU  42          1HB       GLU  42  -4.966   1.075  -2.615
  315   1HG   GLU  42          2HG       GLU  42  -4.756   1.949  -4.951
  316   2HG   GLU  42          1HG       GLU  42  -6.031   0.821  -5.420
  317    H    CYS  43           H        CYS  43  -5.079  -2.610  -3.114
  318    HA   CYS  43           HA       CYS  43  -4.339  -4.205  -5.347
  319   1HB   CYS  43          2HB       CYS  43  -5.683  -5.947  -4.257
  320   2HB   CYS  43          1HB       CYS  43  -4.639  -5.124  -3.099
  321    HG   CYS  43           HG       CYS  43  -7.649  -3.718  -3.321
  322    HA   PRO  44           HA       PRO  44  -7.768  -3.463  -8.126
  323   1HB   PRO  44          2HB       PRO  44  -7.253  -6.172  -9.191
  324   2HB   PRO  44          1HB       PRO  44  -7.132  -4.604  -9.997
  325   1HG   PRO  44          2HG       PRO  44  -4.943  -6.024  -9.360
  326   2HG   PRO  44          1HG       PRO  44  -4.957  -4.252  -9.282
  327   1HD   PRO  44          2HD       PRO  44  -5.225  -6.244  -7.050
  328   2HD   PRO  44          1HD       PRO  44  -4.272  -4.745  -7.114
  329    H    TYR  45           H        TYR  45  -7.583  -6.416  -6.198
  330    HA   TYR  45           HA       TYR  45 -10.409  -7.010  -6.691
  331   1HB   TYR  45          2HB       TYR  45  -8.289  -8.556  -5.183
  332   2HB   TYR  45          1HB       TYR  45  -9.958  -9.084  -5.372
  333    HD1  TYR  45           HD2      TYR  45 -10.820  -9.332  -7.812
  334    HD2  TYR  45           HD1      TYR  45  -6.688  -9.197  -6.774
  335    HE1  TYR  45           HE2      TYR  45 -10.254 -10.423  -9.937
  336    HE2  TYR  45           HE1      TYR  45  -6.119 -10.295  -8.899
  337    HH   TYR  45           HH       TYR  45  -8.328 -10.621 -11.453
  338    H    CYS  46           H        CYS  46  -8.668  -7.468  -3.623
  339    HA   CYS  46           HA       CYS  46 -10.086  -5.438  -2.180
  340   1HB   CYS  46          2HB       CYS  46 -11.933  -7.073  -2.575
  341   2HB   CYS  46          1HB       CYS  46 -10.999  -8.291  -1.722
  342    HG   CYS  46           HG       CYS  46 -10.990  -6.706   0.689
  343    H    ASP  47           H        ASP  47  -7.410  -6.856  -2.509
  344    HA   ASP  47           HA       ASP  47  -6.815  -8.303  -0.155
  345   1HB   ASP  47          2HB       ASP  47  -4.874  -6.884  -1.991
  346   2HB   ASP  47          1HB       ASP  47  -4.538  -8.269  -0.953
  347    H    CYS  48           H        CYS  48  -5.120  -5.261  -1.030
  348    HA   CYS  48           HA       CYS  48  -5.749  -3.978   1.468
  349   1HB   CYS  48          2HB       CYS  48  -2.941  -5.041   1.070
  350   2HB   CYS  48          1HB       CYS  48  -3.409  -3.904   2.330
  351    HG   CYS  48           HG       CYS  48  -3.956  -5.706   4.056
  352    H    LYS  49           H        LYS  49  -4.425  -1.961   1.805
  353    HA   LYS  49           HA       LYS  49  -3.662  -0.676  -0.751
  354   1HB   LYS  49          2HB       LYS  49  -5.583   0.309   0.542
  355   2HB   LYS  49          1HB       LYS  49  -4.479   0.624   1.870
  356   1HG   LYS  49          2HG       LYS  49  -3.140   2.047   0.247
  357   2HG   LYS  49          1HG       LYS  49  -4.506   1.889  -0.864
  358   1HD   LYS  49          2HD       LYS  49  -5.977   2.797   0.969
  359   2HD   LYS  49          1HD       LYS  49  -4.512   3.127   1.896
  360   1HE   LYS  49          2HE       LYS  49  -4.984   5.165   0.877
  361   2HE   LYS  49          1HE       LYS  49  -3.758   4.464  -0.175
  362   1HZ   LYS  49          1HZ       LYS  49  -5.552   5.402  -1.466
  363   2HZ   LYS  49          2HZ       LYS  49  -6.692   4.453  -0.655
  364   3HZ   LYS  49          3HZ       LYS  49  -5.547   3.720  -1.660
  365    H    TYR  50           H        TYR  50  -1.480  -0.207  -0.999
  366    HA   TYR  50           HA       TYR  50   0.202  -0.672   1.383
  367   1HB   TYR  50          2HB       TYR  50   0.833  -1.176  -1.535
  368   2HB   TYR  50          1HB       TYR  50   1.966  -1.407  -0.206
  369    HD1  TYR  50           HD1      TYR  50   1.325  -3.100   1.617
  370    HD2  TYR  50           HD2      TYR  50  -0.628  -2.906  -2.164
  371    HE1  TYR  50           HE1      TYR  50   0.492  -5.386   1.937
  372    HE2  TYR  50           HE2      TYR  50  -1.472  -5.195  -1.848
  373    HH   TYR  50           HH       TYR  50  -0.892  -7.216  -0.564
  374    H    VAL  51           H        VAL  51   1.066   1.099   2.189
  375    HA   VAL  51           HA       VAL  51   1.754   3.368   0.446
  376    HB   VAL  51           HB       VAL  51   1.768   3.154   3.472
  377   1HG1  VAL  51          1HG1      VAL  51   3.394   4.803   2.677
  378   2HG1  VAL  51          2HG1      VAL  51   2.032   5.588   3.476
  379   3HG1  VAL  51          3HG1      VAL  51   2.139   5.587   1.715
  380   1HG2  VAL  51          1HG2      VAL  51  -0.237   4.587   3.360
  381   2HG2  VAL  51          2HG2      VAL  51  -0.485   3.033   2.565
  382   3HG2  VAL  51          3HG2      VAL  51  -0.200   4.482   1.600
  383    H    LEU  52           H        LEU  52   3.849   4.042   0.088
  384    HA   LEU  52           HA       LEU  52   5.953   2.161   0.732
  385   1HB   LEU  52          2HB       LEU  52   5.728   3.162  -1.520
  386   2HB   LEU  52          1HB       LEU  52   6.100   4.734  -0.842
  387    HG   LEU  52           HG       LEU  52   8.350   3.932  -0.216
  388   1HD1  LEU  52          1HD1      LEU  52   7.551   1.372  -1.612
  389   2HD1  LEU  52          2HD1      LEU  52   7.844   1.564   0.117
  390   3HD1  LEU  52          3HD1      LEU  52   9.169   1.772  -1.029
  391   1HD2  LEU  52          1HD2      LEU  52   8.029   5.026  -2.380
  392   2HD2  LEU  52          2HD2      LEU  52   7.666   3.468  -3.124
  393   3HD2  LEU  52          3HD2      LEU  52   9.276   3.781  -2.480
  394    H    LYS  53           H        LYS  53   6.714   2.280   2.727
  395    HA   LYS  53           HA       LYS  53   6.927   4.549   4.354
  396   1HB   LYS  53          2HB       LYS  53   6.901   2.241   5.191
  397   2HB   LYS  53          1HB       LYS  53   8.480   1.955   4.481
  398   1HG   LYS  53          2HG       LYS  53   9.557   3.338   6.034
  399   2HG   LYS  53          1HG       LYS  53   8.047   4.111   6.528
  400   1HD   LYS  53          2HD       LYS  53   7.309   2.143   7.658
  401   2HD   LYS  53          1HD       LYS  53   8.607   1.176   6.955
  402   1HE   LYS  53          2HE       LYS  53   9.002   3.468   8.880
  403   2HE   LYS  53          1HE       LYS  53   9.017   1.760   9.322
  404   1HZ   LYS  53          1HZ       LYS  53  11.254   2.423   9.044
  405   2HZ   LYS  53          2HZ       LYS  53  10.937   3.194   7.575
  406   3HZ   LYS  53          3HZ       LYS  53  10.870   1.506   7.671
  407    H    GLY  54           H        GLY  54   8.380   6.137   4.507
  408   1HA   GLY  54          2HA       GLY  54  10.503   7.161   4.370
  409   2HA   GLY  54          1HA       GLY  54  11.061   5.840   3.354
  410    H    SER  55           H        SER  55   8.216   6.588   1.996
  411    HA   SER  55           HA       SER  55   9.458   8.372   0.016
  412   1HB   SER  55          2HB       SER  55   8.375   6.361  -0.854
  413   2HB   SER  55          1HB       SER  55   6.857   6.806  -0.077
  414    HG   SER  55           HG       SER  55   7.980   7.712  -2.427
  415    H    LYS  56           H        LYS  56   7.505   9.776  -1.088
  416    HA   LYS  56           HA       LYS  56   7.002  11.900   0.696
  417   1HB   LYS  56          2HB       LYS  56   5.668  12.877  -1.098
  418   2HB   LYS  56          1HB       LYS  56   7.156  12.194  -1.743
  419   1HG   LYS  56          2HG       LYS  56   5.891  10.193  -2.462
  420   2HG   LYS  56          1HG       LYS  56   4.406  10.954  -1.887
  421   1HD   LYS  56          2HD       LYS  56   6.224  12.004  -4.068
  422   2HD   LYS  56          1HD       LYS  56   4.650  11.243  -4.302
  423   1HE   LYS  56          2HE       LYS  56   5.138  13.814  -2.799
  424   2HE   LYS  56          1HE       LYS  56   4.556  13.701  -4.458
  425   1HZ   LYS  56          1HZ       LYS  56   2.822  14.034  -2.698
  426   2HZ   LYS  56          2HZ       LYS  56   3.127  12.453  -2.184
  427   3HZ   LYS  56          3HZ       LYS  56   2.549  12.736  -3.748
  428    H    ALA  57           H        ALA  57   5.247   8.997   0.106
  429    HA   ALA  57           HA       ALA  57   2.738   9.936   1.194
  430   1HB   ALA  57          1HB       ALA  57   3.652   7.121   0.590
  431   2HB   ALA  57          2HB       ALA  57   2.773   8.182  -0.512
  432   3HB   ALA  57          3HB       ALA  57   2.002   7.619   0.970
  433    H    ASP  58           H        ASP  58   5.683   8.951   2.559
  434    HA   ASP  58           HA       ASP  58   4.674   7.702   4.932
  435   1HB   ASP  58          2HB       ASP  58   7.018   7.441   3.973
  436   2HB   ASP  58          1HB       ASP  58   7.368   9.046   4.597
  437    H    ALA  59           H        ALA  59   3.001   9.328   5.330
  438    HA   ALA  59           HA       ALA  59   3.992  11.463   7.094
  439   1HB   ALA  59          1HB       ALA  59   2.382  13.058   6.155
  440   2HB   ALA  59          2HB       ALA  59   1.891  11.860   4.960
  441   3HB   ALA  59          3HB       ALA  59   3.530  12.510   4.934
  442    H    LEU  60           H        LEU  60   2.422   8.742   7.140
  443    HA   LEU  60           HA       LEU  60  -0.074   9.455   8.389
  444   1HB   LEU  60          2HB       LEU  60   1.377   6.799   8.265
  445   2HB   LEU  60          1HB       LEU  60  -0.223   7.025   8.949
  446    HG   LEU  60           HG       LEU  60  -0.532   6.117   6.776
  447   1HD1  LEU  60          1HD1      LEU  60  -2.096   7.897   7.339
  448   2HD1  LEU  60          2HD1      LEU  60  -1.786   7.852   5.605
  449   3HD1  LEU  60          3HD1      LEU  60  -1.024   9.088   6.605
  450   1HD2  LEU  60          1HD2      LEU  60   1.670   6.567   5.844
  451   2HD2  LEU  60          2HD2      LEU  60   1.282   8.284   5.715
  452   3HD2  LEU  60          3HD2      LEU  60   0.405   7.105   4.739
  453    H    GLU  61           H        GLU  61   1.051  10.963   9.879
  454    HA   GLU  61           HA       GLU  61   1.579   9.626  12.431
  455   1HB   GLU  61          2HB       GLU  61   3.495  11.222  12.851
  456   2HB   GLU  61          1HB       GLU  61   3.806   9.982  11.644
  457   1HG   GLU  61          2HG       GLU  61   3.503  11.562   9.855
  458   2HG   GLU  61          1HG       GLU  61   2.985  12.808  10.987
  459    H    HIS  62           H        HIS  62  -0.518  10.362  13.018
  460    HA   HIS  62           HA       HIS  62  -1.130  13.178  13.038
  461   1HB   HIS  62          2HB       HIS  62  -3.201  12.566  14.134
  462   2HB   HIS  62          1HB       HIS  62  -2.898  11.433  12.825
  463    HD1  HIS  62           HD1      HIS  62  -2.480   8.970  13.467
  464    HD2  HIS  62           HD2      HIS  62  -3.066  11.466  16.734
  465    HE1  HIS  62           HE1      HIS  62  -2.816   7.446  15.426
  466    HE2  HIS  62           HE2      HIS  62  -2.959   8.977  17.412
  467    H    HIS  63           H        HIS  63   0.656  11.116  15.018
  468    HA   HIS  63           HA       HIS  63   1.423  13.183  16.770
  469   1HB   HIS  63          2HB       HIS  63  -0.898  12.419  17.683
  470   2HB   HIS  63          1HB       HIS  63  -0.037  10.995  18.255
  471    HD1  HIS  63           HD1      HIS  63   2.123  11.633  19.878
  472    HD2  HIS  63           HD2      HIS  63  -0.849  14.501  19.406
  473    HE1  HIS  63           HE1      HIS  63   2.415  13.226  21.790
  474    HE2  HIS  63           HE2      HIS  63   0.514  14.852  21.577
  475    H    HIS  64           H        HIS  64   1.108   9.650  16.493
  476    HA   HIS  64           HA       HIS  64   3.931   9.347  17.302
  477   1HB   HIS  64          2HB       HIS  64   1.693   7.303  17.164
  478   2HB   HIS  64          1HB       HIS  64   3.362   6.921  17.562
  479    HD1  HIS  64           HD1      HIS  64   3.908   6.929  19.970
  480    HD2  HIS  64           HD2      HIS  64   0.516   9.184  19.143
  481    HE1  HIS  64           HE1      HIS  64   2.996   7.620  22.205
  482    HE2  HIS  64           HE2      HIS  64   1.061   9.137  21.670
  483    H    HIS  65           H        HIS  65   5.403   8.977  15.744
  484    HA   HIS  65           HA       HIS  65   4.526   7.986  13.111
  485   1HB   HIS  65          2HB       HIS  65   5.965  10.072  13.338
  486   2HB   HIS  65          1HB       HIS  65   7.269   9.022  13.879
  487    HD1  HIS  65           HD1      HIS  65   7.417  10.792  11.315
  488    HD2  HIS  65           HD2      HIS  65   6.425   6.756  11.332
  489    HE1  HIS  65           HE1      HIS  65   7.972   9.953   9.024
  490    HE2  HIS  65           HE2      HIS  65   7.216   7.566   9.000
  491    H    HIS  66           H        HIS  66   4.648   5.827  12.788
  492    HA   HIS  66           HA       HIS  66   6.986   4.332  13.669
  493   1HB   HIS  66          2HB       HIS  66   5.756   2.702  14.990
  494   2HB   HIS  66          1HB       HIS  66   5.495   4.310  15.656
  495    HD1  HIS  66           HD1      HIS  66   3.707   1.461  14.048
  496    HD2  HIS  66           HD2      HIS  66   2.873   5.341  15.292
  497    HE1  HIS  66           HE1      HIS  66   1.205   1.642  14.062
  498    HE2  HIS  66           HE2      HIS  66   0.719   3.966  14.885
  499    H    HIS  67           H        HIS  67   6.647   1.903  13.122
  500    HA   HIS  67           HA       HIS  67   5.811   1.516  10.438
  501   1HB   HIS  67          2HB       HIS  67   7.535   0.092  11.311
  502   2HB   HIS  67          1HB       HIS  67   6.538  -0.392  12.676
  503    HD1  HIS  67           HD1      HIS  67   7.219  -1.177   9.093
  504    HD2  HIS  67           HD2      HIS  67   4.627  -2.400  12.103
  505    HE1  HIS  67           HE1      HIS  67   6.183  -3.302   8.267
  506    HE2  HIS  67           HE2      HIS  67   4.752  -4.106  10.168
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -19.407  -3.019  -6.310
    2   2H    MET   1          2H        MET   1 -20.737  -2.287  -7.054
    3   3H    MET   1          3H        MET   1 -20.515  -2.137  -5.391
    4    HA   MET   1           HA       MET   1 -18.766  -1.013  -7.501
    5   1HB   MET   1          2HB       MET   1 -20.655   0.309  -5.531
    6   2HB   MET   1          1HB       MET   1 -19.510   1.181  -6.543
    7   1HG   MET   1          2HG       MET   1 -20.640   0.332  -8.545
    8   2HG   MET   1          1HG       MET   1 -21.794  -0.522  -7.524
    9   1HE   MET   1          1HE       MET   1 -23.823   0.638  -8.788
   10   2HE   MET   1          2HE       MET   1 -22.663   1.463  -9.834
   11   3HE   MET   1          3HE       MET   1 -23.942   2.380  -9.039
   12    H    THR   2           H        THR   2 -19.403  -1.028  -3.967
   13    HA   THR   2           HA       THR   2 -16.712  -0.087  -3.417
   14    HB   THR   2           HB       THR   2 -17.361  -0.238  -1.028
   15    HG1  THR   2           HG1      THR   2 -19.667  -0.711  -0.661
   16   1HG2  THR   2          1HG2      THR   2 -19.428   1.138  -2.760
   17   2HG2  THR   2          2HG2      THR   2 -17.865   1.808  -2.296
   18   3HG2  THR   2          3HG2      THR   2 -19.092   1.498  -1.067
   19    H    ILE   3           H        ILE   3 -14.985  -1.324  -2.914
   20    HA   ILE   3           HA       ILE   3 -15.153  -4.187  -2.977
   21    HB   ILE   3           HB       ILE   3 -12.734  -4.163  -2.498
   22   1HG1  ILE   3          2HG1      ILE   3 -13.067  -1.150  -2.313
   23   2HG1  ILE   3          1HG1      ILE   3 -12.697  -2.220  -0.963
   24   1HG2  ILE   3          1HG2      ILE   3 -13.568  -2.165  -4.608
   25   2HG2  ILE   3          2HG2      ILE   3 -13.518  -3.918  -4.801
   26   3HG2  ILE   3          3HG2      ILE   3 -12.025  -3.016  -4.545
   27   1HD1  ILE   3          1HD1      ILE   3 -10.943  -1.693  -3.354
   28   2HD1  ILE   3          2HD1      ILE   3 -10.572  -2.814  -2.042
   29   3HD1  ILE   3          3HD1      ILE   3 -10.707  -1.085  -1.714
   30    H    GLN   4           H        GLN   4 -15.450  -1.846  -0.520
   31    HA   GLN   4           HA       GLN   4 -15.862  -1.938   1.695
   32   1HB   GLN   4          2HB       GLN   4 -15.893  -4.949   1.376
   33   2HB   GLN   4          1HB       GLN   4 -16.478  -4.055   2.771
   34   1HG   GLN   4          2HG       GLN   4 -18.181  -2.985   1.323
   35   2HG   GLN   4          1HG       GLN   4 -17.629  -3.996  -0.016
   36   1HE2  GLN   4          1HE2      GLN   4 -19.579  -5.070  -0.236
   37   2HE2  GLN   4          2HE2      GLN   4 -20.166  -6.193   0.934
   38    H    ALA   5           H        ALA   5 -14.681  -1.848   3.538
   39    HA   ALA   5           HA       ALA   5 -12.936  -1.948   4.978
   40   1HB   ALA   5          1HB       ALA   5 -13.478  -4.340   5.024
   41   2HB   ALA   5          2HB       ALA   5 -11.754  -4.050   5.252
   42   3HB   ALA   5          3HB       ALA   5 -12.356  -4.617   3.694
   43    HA   PRO   6           HA       PRO   6  -9.806  -0.581   1.815
   44   1HB   PRO   6          2HB       PRO   6  -9.740   2.033   2.455
   45   2HB   PRO   6          1HB       PRO   6 -10.996   1.368   1.404
   46   1HG   PRO   6          2HG       PRO   6 -11.127   2.017   4.331
   47   2HG   PRO   6          1HG       PRO   6 -12.309   2.367   3.055
   48   1HD   PRO   6          2HD       PRO   6 -12.524   0.243   4.776
   49   2HD   PRO   6          1HD       PRO   6 -13.209   0.248   3.139
   50    H    GLU   7           H        GLU   7  -8.826  -2.065   3.674
   51    HA   GLU   7           HA       GLU   7  -7.554  -0.826   5.890
   52   1HB   GLU   7          2HB       GLU   7  -8.050  -3.230   5.818
   53   2HB   GLU   7          1HB       GLU   7  -6.906  -3.440   4.501
   54   1HG   GLU   7          2HG       GLU   7  -5.892  -4.191   6.536
   55   2HG   GLU   7          1HG       GLU   7  -5.084  -2.714   6.017
   56    H    THR   8           H        THR   8  -5.254  -0.517   6.246
   57    HA   THR   8           HA       THR   8  -3.733   0.129   3.784
   58    HB   THR   8           HB       THR   8  -3.753   1.704   6.379
   59    HG1  THR   8           HG1      THR   8  -5.221   2.929   5.466
   60   1HG2  THR   8          1HG2      THR   8  -2.388   3.342   5.145
   61   2HG2  THR   8          2HG2      THR   8  -2.337   2.255   3.759
   62   3HG2  THR   8          3HG2      THR   8  -1.570   1.785   5.277
   63    H    LYS   9           H        LYS   9  -1.529  -0.390   3.771
   64    HA   LYS   9           HA       LYS   9  -0.350  -1.367   6.280
   65   1HB   LYS   9          2HB       LYS   9  -0.470  -2.918   3.699
   66   2HB   LYS   9          1HB       LYS   9   0.824  -3.185   4.858
   67   1HG   LYS   9          2HG       LYS   9  -1.065  -3.553   6.573
   68   2HG   LYS   9          1HG       LYS   9  -2.103  -3.731   5.159
   69   1HD   LYS   9          2HD       LYS   9   0.410  -5.336   5.675
   70   2HD   LYS   9          1HD       LYS   9  -1.223  -5.893   6.041
   71   1HE   LYS   9          2HE       LYS   9  -0.548  -5.006   3.257
   72   2HE   LYS   9          1HE       LYS   9  -0.051  -6.602   3.810
   73   1HZ   LYS   9          1HZ       LYS   9  -2.844  -5.604   3.886
   74   2HZ   LYS   9          2HZ       LYS   9  -2.315  -7.165   4.261
   75   3HZ   LYS   9          3HZ       LYS   9  -2.211  -6.595   2.674
   76    H    ILE  10           H        ILE  10   1.574  -0.527   6.649
   77    HA   ILE  10           HA       ILE  10   2.930   0.962   4.519
   78    HB   ILE  10           HB       ILE  10   3.469   0.882   7.502
   79   1HG1  ILE  10          2HG1      ILE  10   2.744   3.314   7.340
   80   2HG1  ILE  10          1HG1      ILE  10   2.190   2.963   5.709
   81   1HG2  ILE  10          1HG2      ILE  10   5.549   1.248   6.304
   82   2HG2  ILE  10          2HG2      ILE  10   5.036   2.738   7.098
   83   3HG2  ILE  10          3HG2      ILE  10   4.804   2.539   5.360
   84   1HD1  ILE  10          1HD1      ILE  10   0.378   2.945   7.340
   85   2HD1  ILE  10          2HD1      ILE  10   1.181   1.642   8.219
   86   3HD1  ILE  10          3HD1      ILE  10   0.589   1.366   6.580
   87    H    VAL  11           H        VAL  11   4.345  -0.146   3.327
   88    HA   VAL  11           HA       VAL  11   5.842  -2.376   4.543
   89    HB   VAL  11           HB       VAL  11   6.243  -3.170   2.259
   90   1HG1  VAL  11          1HG1      VAL  11   4.248  -3.947   3.434
   91   2HG1  VAL  11          2HG1      VAL  11   3.946  -3.821   1.702
   92   3HG1  VAL  11          3HG1      VAL  11   3.327  -2.584   2.798
   93   1HG2  VAL  11          1HG2      VAL  11   6.303  -1.044   1.087
   94   2HG2  VAL  11          2HG2      VAL  11   4.590  -0.785   1.413
   95   3HG2  VAL  11          3HG2      VAL  11   5.101  -2.099   0.353
   96    H    ASP  12           H        ASP  12   8.078  -2.729   3.686
   97    HA   ASP  12           HA       ASP  12   9.535  -0.189   3.815
   98   1HB   ASP  12          2HB       ASP  12  10.611  -3.010   4.070
   99   2HB   ASP  12          1HB       ASP  12  11.452  -1.515   4.479
  100    H    LYS  13           H        LYS  13   8.836  -2.735   1.552
  101    HA   LYS  13           HA       LYS  13  10.839  -1.642  -0.328
  102   1HB   LYS  13          2HB       LYS  13   9.837  -4.494  -0.200
  103   2HB   LYS  13          1HB       LYS  13  11.018  -3.865  -1.340
  104   1HG   LYS  13          2HG       LYS  13  12.547  -3.386   0.527
  105   2HG   LYS  13          1HG       LYS  13  11.358  -4.047   1.651
  106   1HD   LYS  13          2HD       LYS  13  11.497  -6.219   0.448
  107   2HD   LYS  13          1HD       LYS  13  12.777  -5.540  -0.562
  108   1HE   LYS  13          2HE       LYS  13  12.871  -5.867   2.440
  109   2HE   LYS  13          1HE       LYS  13  13.687  -6.895   1.264
  110   1HZ   LYS  13          1HZ       LYS  13  14.206  -4.005   1.708
  111   2HZ   LYS  13          2HZ       LYS  13  14.973  -4.964   0.548
  112   3HZ   LYS  13          3HZ       LYS  13  15.198  -5.284   2.190
  113    H    SER  14           H        SER  14  10.266  -1.614  -2.577
  114    HA   SER  14           HA       SER  14   7.673  -0.503  -2.911
  115   1HB   SER  14          2HB       SER  14   9.685  -1.184  -5.064
  116   2HB   SER  14          1HB       SER  14   8.329  -0.070  -5.216
  117    HG   SER  14           HG       SER  14   9.822   1.327  -4.658
  118    H    ARG  15           H        ARG  15   8.887  -3.735  -3.597
  119    HA   ARG  15           HA       ARG  15   6.460  -4.285  -5.183
  120   1HB   ARG  15          2HB       ARG  15   8.871  -4.943  -5.943
  121   2HB   ARG  15          1HB       ARG  15   8.686  -6.276  -4.809
  122   1HG   ARG  15          2HG       ARG  15   8.065  -7.084  -6.964
  123   2HG   ARG  15          1HG       ARG  15   6.577  -6.909  -6.029
  124   1HD   ARG  15          2HD       ARG  15   6.353  -4.610  -7.108
  125   2HD   ARG  15          1HD       ARG  15   7.637  -5.112  -8.205
  126    HE   ARG  15           HE       ARG  15   5.173  -6.694  -7.998
  127   1HH1  ARG  15          1HH1      ARG  15   7.392  -4.852  -9.887
  128   2HH1  ARG  15          2HH1      ARG  15   6.541  -5.152 -11.360
  129   1HH2  ARG  15          1HH2      ARG  15   4.086  -7.044  -9.914
  130   2HH2  ARG  15          2HH2      ARG  15   4.713  -6.375 -11.379
  131    H    VAL  16           H        VAL  16   4.761  -5.216  -4.227
  132    HA   VAL  16           HA       VAL  16   5.202  -7.006  -1.916
  133    HB   VAL  16           HB       VAL  16   2.939  -5.001  -2.138
  134   1HG1  VAL  16          1HG1      VAL  16   3.754  -6.792   0.154
  135   2HG1  VAL  16          2HG1      VAL  16   2.353  -7.024  -0.892
  136   3HG1  VAL  16          3HG1      VAL  16   2.438  -5.619   0.171
  137   1HG2  VAL  16          1HG2      VAL  16   4.036  -3.777  -0.314
  138   2HG2  VAL  16          2HG2      VAL  16   5.049  -3.829  -1.757
  139   3HG2  VAL  16          3HG2      VAL  16   5.403  -4.885  -0.389
  140    H    ALA  17           H        ALA  17   3.908  -8.822  -1.817
  141    HA   ALA  17           HA       ALA  17   2.288  -9.435  -4.178
  142   1HB   ALA  17          1HB       ALA  17   2.317 -11.735  -3.385
  143   2HB   ALA  17          2HB       ALA  17   3.093 -11.231  -1.885
  144   3HB   ALA  17          3HB       ALA  17   3.953 -11.080  -3.417
  145    H    CYS  18           H        CYS  18   0.175  -8.999  -4.145
  146    HA   CYS  18           HA       CYS  18  -1.264  -8.577  -1.671
  147   1HB   CYS  18          2HB       CYS  18  -1.790  -7.134  -3.541
  148   2HB   CYS  18          1HB       CYS  18  -2.181  -8.516  -4.558
  149    HG   CYS  18           HG       CYS  18  -4.033  -6.998  -2.192
  150    H    ASP  19           H        ASP  19  -1.383 -10.550  -0.599
  151    HA   ASP  19           HA       ASP  19  -2.077 -12.970  -1.918
  152   1HB   ASP  19          2HB       ASP  19  -0.750 -12.740   0.248
  153   2HB   ASP  19          1HB       ASP  19  -2.300 -12.509   1.056
  154    H    GLY  20           H        GLY  20  -3.974 -11.588   0.817
  155   1HA   GLY  20          2HA       GLY  20  -6.337 -11.019  -0.411
  156   2HA   GLY  20          1HA       GLY  20  -6.375 -12.770  -0.297
  157    H    GLY  21           H        GLY  21  -8.263 -12.530   0.988
  158   1HA   GLY  21          2HA       GLY  21  -7.870 -11.448   3.707
  159   2HA   GLY  21          1HA       GLY  21  -9.422 -11.733   2.937
  160    H    GLU  22           H        GLU  22 -10.000 -14.005   2.530
  161    HA   GLU  22           HA       GLU  22  -9.040 -15.787   4.664
  162   1HB   GLU  22          2HB       GLU  22 -11.558 -15.975   2.988
  163   2HB   GLU  22          1HB       GLU  22 -11.130 -17.032   4.330
  164   1HG   GLU  22          2HG       GLU  22 -11.717 -14.076   4.498
  165   2HG   GLU  22          1HG       GLU  22 -12.780 -15.385   5.008
  166    H    GLY  23           H        GLY  23  -8.985 -18.154   4.105
  167   1HA   GLY  23          2HA       GLY  23  -7.132 -18.858   2.250
  168   2HA   GLY  23          1HA       GLY  23  -8.380 -19.957   2.805
  169    H    ALA  24           H        ALA  24 -10.638 -19.252   1.649
  170    HA   ALA  24           HA       ALA  24 -10.266 -19.968  -1.091
  171   1HB   ALA  24          1HB       ALA  24 -12.800 -19.056   0.268
  172   2HB   ALA  24          2HB       ALA  24 -12.190 -20.709   0.265
  173   3HB   ALA  24          3HB       ALA  24 -12.675 -19.948  -1.250
  174    H    LEU  25           H        LEU  25 -10.318 -16.956   0.495
  175    HA   LEU  25           HA       LEU  25 -11.104 -15.455  -1.904
  176   1HB   LEU  25          2HB       LEU  25 -10.501 -14.498   0.899
  177   2HB   LEU  25          1HB       LEU  25 -11.025 -13.476  -0.425
  178    HG   LEU  25           HG       LEU  25 -12.643 -15.689   0.853
  179   1HD1  LEU  25          1HD1      LEU  25 -12.966 -12.690   0.971
  180   2HD1  LEU  25          2HD1      LEU  25 -12.417 -13.729   2.286
  181   3HD1  LEU  25          3HD1      LEU  25 -14.062 -13.878   1.674
  182   1HD2  LEU  25          1HD2      LEU  25 -13.367 -13.773  -1.372
  183   2HD2  LEU  25          2HD2      LEU  25 -14.494 -14.853  -0.548
  184   3HD2  LEU  25          3HD2      LEU  25 -13.176 -15.521  -1.507
  185    H    GLY  26           H        GLY  26  -8.411 -16.911  -1.188
  186   1HA   GLY  26          2HA       GLY  26  -6.479 -14.758  -1.274
  187   2HA   GLY  26          1HA       GLY  26  -6.132 -16.476  -1.317
  188    H    HIS  27           H        HIS  27  -5.128 -14.201  -2.957
  189    HA   HIS  27           HA       HIS  27  -6.223 -14.702  -5.619
  190   1HB   HIS  27          2HB       HIS  27  -4.028 -12.768  -4.845
  191   2HB   HIS  27          1HB       HIS  27  -4.990 -12.761  -6.322
  192    HD1  HIS  27           HD1      HIS  27  -4.709 -10.921  -3.388
  193    HD2  HIS  27           HD2      HIS  27  -7.961 -12.567  -5.381
  194    HE1  HIS  27           HE1      HIS  27  -6.712  -9.647  -2.569
  195    HE2  HIS  27           HE2      HIS  27  -8.682 -10.786  -3.651
  196    HA   PRO  28           HA       PRO  28  -2.944 -17.473  -6.772
  197   1HB   PRO  28          2HB       PRO  28  -3.002 -17.252  -9.466
  198   2HB   PRO  28          1HB       PRO  28  -4.306 -18.018  -8.551
  199   1HG   PRO  28          2HG       PRO  28  -4.152 -15.228  -9.644
  200   2HG   PRO  28          1HG       PRO  28  -5.495 -16.385  -9.722
  201   1HD   PRO  28          2HD       PRO  28  -5.399 -14.376  -7.894
  202   2HD   PRO  28          1HD       PRO  28  -6.172 -15.939  -7.560
  203    H    ARG  29           H        ARG  29  -1.614 -15.419  -5.733
  204    HA   ARG  29           HA       ARG  29   0.289 -14.358  -5.647
  205   1HB   ARG  29          2HB       ARG  29   1.040 -16.626  -6.460
  206   2HB   ARG  29          1HB       ARG  29   1.147 -15.910  -8.062
  207   1HG   ARG  29          2HG       ARG  29   3.310 -15.857  -6.996
  208   2HG   ARG  29          1HG       ARG  29   2.705 -14.218  -7.182
  209   1HD   ARG  29          2HD       ARG  29   3.571 -14.334  -4.993
  210   2HD   ARG  29          1HD       ARG  29   1.839 -14.406  -4.811
  211    HE   ARG  29           HE       ARG  29   2.505 -17.007  -4.855
  212   1HH1  ARG  29          1HH1      ARG  29   3.746 -14.341  -3.052
  213   2HH1  ARG  29          2HH1      ARG  29   4.181 -15.320  -1.699
  214   1HH2  ARG  29          1HH2      ARG  29   3.055 -18.238  -3.115
  215   2HH2  ARG  29          2HH2      ARG  29   3.797 -17.504  -1.731
  216    H    VAL  30           H        VAL  30  -0.544 -12.422  -6.093
  217    HA   VAL  30           HA       VAL  30   0.162 -11.300  -8.739
  218    HB   VAL  30           HB       VAL  30  -1.515  -9.489  -8.296
  219   1HG1  VAL  30          1HG1      VAL  30  -2.045 -11.330  -9.790
  220   2HG1  VAL  30          2HG1      VAL  30  -3.478 -10.862  -8.875
  221   3HG1  VAL  30          3HG1      VAL  30  -2.580 -12.313  -8.426
  222   1HG2  VAL  30          1HG2      VAL  30  -2.386 -11.304  -6.040
  223   2HG2  VAL  30          2HG2      VAL  30  -3.269  -9.891  -6.619
  224   3HG2  VAL  30          3HG2      VAL  30  -1.684  -9.694  -5.870
  225    H    TRP  31           H        TRP  31   1.918 -10.065  -8.685
  226    HA   TRP  31           HA       TRP  31   2.790  -8.860  -6.156
  227   1HB   TRP  31          2HB       TRP  31   4.245  -9.227  -8.786
  228   2HB   TRP  31          1HB       TRP  31   4.949  -8.503  -7.345
  229    HD1  TRP  31           HD       TRP  31   3.907 -11.889  -8.794
  230    HE1  TRP  31           HE1      TRP  31   4.956 -13.753  -7.364
  231    HE3  TRP  31           HE3      TRP  31   5.782  -9.030  -4.984
  232    HZ2  TRP  31           HZ2      TRP  31   6.383 -13.980  -4.946
  233    HZ3  TRP  31           HZ3      TRP  31   6.980 -10.152  -3.148
  234    HH2  TRP  31           HH       TRP  31   7.276 -12.583  -3.133
  235    H    LEU  32           H        LEU  32   1.996  -6.856  -5.820
  236    HA   LEU  32           HA       LEU  32   1.635  -5.007  -8.054
  237   1HB   LEU  32          2HB       LEU  32   0.946  -4.848  -5.117
  238   2HB   LEU  32          1HB       LEU  32   0.800  -3.469  -6.189
  239    HG   LEU  32           HG       LEU  32  -0.824  -4.743  -7.573
  240   1HD1  LEU  32          1HD1      LEU  32  -1.821  -6.795  -6.684
  241   2HD1  LEU  32          2HD1      LEU  32  -0.619  -6.820  -5.394
  242   3HD1  LEU  32          3HD1      LEU  32  -0.115  -7.007  -7.073
  243   1HD2  LEU  32          1HD2      LEU  32  -2.687  -4.586  -6.004
  244   2HD2  LEU  32          2HD2      LEU  32  -1.601  -3.208  -5.838
  245   3HD2  LEU  32          3HD2      LEU  32  -1.558  -4.512  -4.650
  246    H    GLN  33           H        GLN  33   2.568  -2.882  -8.075
  247    HA   GLN  33           HA       GLN  33   5.083  -2.627  -6.545
  248   1HB   GLN  33          2HB       GLN  33   5.653  -3.104  -8.832
  249   2HB   GLN  33          1HB       GLN  33   4.506  -1.916  -9.425
  250   1HG   GLN  33          2HG       GLN  33   6.498  -0.816  -9.703
  251   2HG   GLN  33          1HG       GLN  33   5.975  -0.205  -8.143
  252   1HE2  GLN  33          1HE2      GLN  33   6.770  -2.698  -6.737
  253   2HE2  GLN  33          2HE2      GLN  33   8.485  -2.652  -6.674
  254    H    ILE  34           H        ILE  34   5.296  -0.836  -5.363
  255    HA   ILE  34           HA       ILE  34   3.276   1.243  -5.513
  256    HB   ILE  34           HB       ILE  34   5.659   1.040  -3.654
  257   1HG1  ILE  34          2HG1      ILE  34   2.783   0.198  -3.198
  258   2HG1  ILE  34          1HG1      ILE  34   4.131  -0.906  -3.455
  259   1HG2  ILE  34          1HG2      ILE  34   4.338   2.602  -2.252
  260   2HG2  ILE  34          2HG2      ILE  34   3.148   2.720  -3.546
  261   3HG2  ILE  34          3HG2      ILE  34   4.794   3.297  -3.807
  262   1HD1  ILE  34          1HD1      ILE  34   3.559  -0.755  -1.113
  263   2HD1  ILE  34          2HD1      ILE  34   3.801   0.991  -1.143
  264   3HD1  ILE  34          3HD1      ILE  34   5.168  -0.092  -1.399
  265    HA   PRO  35           HA       PRO  35   6.129   3.732  -7.994
  266   1HB   PRO  35          2HB       PRO  35   4.367   5.619  -8.761
  267   2HB   PRO  35          1HB       PRO  35   4.354   3.995  -9.457
  268   1HG   PRO  35          2HG       PRO  35   2.576   5.174  -7.369
  269   2HG   PRO  35          1HG       PRO  35   2.167   4.081  -8.698
  270   1HD   PRO  35          2HD       PRO  35   2.559   3.304  -6.066
  271   2HD   PRO  35          1HD       PRO  35   2.680   2.222  -7.464
  272    H    GLU  36           H        GLU  36   7.554   5.089  -7.064
  273    HA   GLU  36           HA       GLU  36   7.230   6.264  -4.559
  274   1HB   GLU  36          2HB       GLU  36   9.306   7.481  -5.018
  275   2HB   GLU  36          1HB       GLU  36   9.422   5.804  -5.541
  276   1HG   GLU  36          2HG       GLU  36   9.069   6.462  -7.845
  277   2HG   GLU  36          1HG       GLU  36   8.851   8.141  -7.358
  278    H    ASP  37           H        ASP  37   6.296   7.466  -7.674
  279    HA   ASP  37           HA       ASP  37   6.129  10.224  -7.071
  280   1HB   ASP  37          2HB       ASP  37   4.519   8.626  -9.076
  281   2HB   ASP  37          1HB       ASP  37   4.735  10.376  -9.076
  282    H    THR  38           H        THR  38   3.840   7.565  -6.609
  283    HA   THR  38           HA       THR  38   1.779   9.395  -5.615
  284    HB   THR  38           HB       THR  38   0.308   7.479  -5.458
  285    HG1  THR  38           HG1      THR  38   1.031   5.392  -5.702
  286   1HG2  THR  38          1HG2      THR  38   0.562   8.437  -7.695
  287   2HG2  THR  38          2HG2      THR  38   0.294   6.698  -7.789
  288   3HG2  THR  38          3HG2      THR  38   1.917   7.354  -8.016
  289    H    GLY  39           H        GLY  39   3.630   6.586  -4.455
  290   1HA   GLY  39          2HA       GLY  39   4.654   6.543  -2.281
  291   2HA   GLY  39          1HA       GLY  39   3.406   7.636  -1.701
  292    H    TRP  40           H        TRP  40   1.906   5.384  -3.607
  293    HA   TRP  40           HA       TRP  40   1.610   3.246  -1.713
  294   1HB   TRP  40          2HB       TRP  40  -0.805   3.686  -1.232
  295   2HB   TRP  40          1HB       TRP  40   0.270   4.888  -0.531
  296    HD1  TRP  40           HD       TRP  40   0.145   7.375  -1.501
  297    HE1  TRP  40           HE1      TRP  40  -1.606   8.587  -2.943
  298    HE3  TRP  40           HE3      TRP  40  -2.508   3.321  -3.151
  299    HZ2  TRP  40           HZ2      TRP  40  -3.815   7.922  -4.559
  300    HZ3  TRP  40           HZ3      TRP  40  -4.426   3.701  -4.647
  301    HH2  TRP  40           HH       TRP  40  -5.065   5.955  -5.336
  302    H    VAL  41           H        VAL  41   0.046   1.599  -2.451
  303    HA   VAL  41           HA       VAL  41  -1.077   2.006  -5.131
  304    HB   VAL  41           HB       VAL  41   1.120   0.840  -5.423
  305   1HG1  VAL  41          1HG1      VAL  41   1.382  -1.468  -4.739
  306   2HG1  VAL  41          2HG1      VAL  41  -0.213  -1.457  -3.989
  307   3HG1  VAL  41          3HG1      VAL  41   1.077  -0.457  -3.325
  308   1HG2  VAL  41          1HG2      VAL  41  -1.316  -0.786  -6.173
  309   2HG2  VAL  41          2HG2      VAL  41   0.271  -0.886  -6.935
  310   3HG2  VAL  41          3HG2      VAL  41  -0.680   0.593  -7.067
  311    H    GLU  42           H        GLU  42  -2.985   0.907  -5.505
  312    HA   GLU  42           HA       GLU  42  -4.254  -0.254  -3.120
  313   1HB   GLU  42          2HB       GLU  42  -6.380   0.191  -4.367
  314   2HB   GLU  42          1HB       GLU  42  -5.433   1.633  -4.029
  315   1HG   GLU  42          2HG       GLU  42  -4.667   1.776  -6.273
  316   2HG   GLU  42          1HG       GLU  42  -5.299   0.177  -6.661
  317    H    CYS  43           H        CYS  43  -5.056  -2.342  -3.074
  318    HA   CYS  43           HA       CYS  43  -4.825  -3.950  -5.527
  319   1HB   CYS  43          2HB       CYS  43  -5.161  -5.888  -4.106
  320   2HB   CYS  43          1HB       CYS  43  -3.908  -4.870  -3.410
  321    HG   CYS  43           HG       CYS  43  -6.758  -3.941  -2.116
  322    HA   PRO  44           HA       PRO  44  -9.258  -2.865  -5.931
  323   1HB   PRO  44          2HB       PRO  44  -8.898  -4.107  -8.596
  324   2HB   PRO  44          1HB       PRO  44  -9.480  -2.494  -8.176
  325   1HG   PRO  44          2HG       PRO  44  -7.063  -2.850  -9.262
  326   2HG   PRO  44          1HG       PRO  44  -7.337  -1.619  -8.016
  327   1HD   PRO  44          2HD       PRO  44  -6.118  -4.354  -7.741
  328   2HD   PRO  44          1HD       PRO  44  -5.580  -2.808  -7.044
  329    H    TYR  45           H        TYR  45  -7.700  -5.833  -5.776
  330    HA   TYR  45           HA       TYR  45  -9.974  -7.507  -6.407
  331   1HB   TYR  45          2HB       TYR  45  -7.422  -8.351  -5.015
  332   2HB   TYR  45          1HB       TYR  45  -8.544  -9.361  -5.921
  333    HD1  TYR  45           HD2      TYR  45  -8.635  -9.178  -8.415
  334    HD2  TYR  45           HD1      TYR  45  -5.690  -7.132  -6.118
  335    HE1  TYR  45           HE2      TYR  45  -7.286  -8.837 -10.443
  336    HE2  TYR  45           HE1      TYR  45  -4.345  -6.782  -8.141
  337    HH   TYR  45           HH       TYR  45  -5.556  -7.320 -11.274
  338    H    CYS  46           H        CYS  46  -7.975  -7.580  -3.462
  339    HA   CYS  46           HA       CYS  46  -9.766  -6.613  -1.600
  340   1HB   CYS  46          2HB       CYS  46 -10.686  -8.679  -0.562
  341   2HB   CYS  46          1HB       CYS  46 -11.323  -8.387  -2.174
  342    HG   CYS  46           HG       CYS  46 -10.502 -11.173  -1.235
  343    H    ASP  47           H        ASP  47  -7.767  -5.906  -0.742
  344    HA   ASP  47           HA       ASP  47  -6.803  -7.667   1.320
  345   1HB   ASP  47          2HB       ASP  47  -5.368  -8.349  -0.587
  346   2HB   ASP  47          1HB       ASP  47  -4.820  -6.684  -0.754
  347    H    CYS  48           H        CYS  48  -5.073  -4.900  -0.139
  348    HA   CYS  48           HA       CYS  48  -6.032  -3.034   1.843
  349   1HB   CYS  48          2HB       CYS  48  -3.159  -3.991   2.022
  350   2HB   CYS  48          1HB       CYS  48  -3.836  -2.635   2.918
  351    HG   CYS  48           HG       CYS  48  -5.837  -4.764   3.885
  352    H    LYS  49           H        LYS  49  -4.670  -0.994   1.846
  353    HA   LYS  49           HA       LYS  49  -3.635  -0.316  -0.822
  354   1HB   LYS  49          2HB       LYS  49  -5.359   1.177   0.192
  355   2HB   LYS  49          1HB       LYS  49  -4.285   1.473   1.550
  356   1HG   LYS  49          2HG       LYS  49  -2.623   2.349  -0.229
  357   2HG   LYS  49          1HG       LYS  49  -4.030   2.404  -1.294
  358   1HD   LYS  49          2HD       LYS  49  -3.776   3.815   1.370
  359   2HD   LYS  49          1HD       LYS  49  -3.628   4.578  -0.212
  360   1HE   LYS  49          2HE       LYS  49  -6.112   3.108   0.668
  361   2HE   LYS  49          1HE       LYS  49  -5.870   4.826   0.966
  362   1HZ   LYS  49          1HZ       LYS  49  -5.903   3.530  -1.712
  363   2HZ   LYS  49          2HZ       LYS  49  -5.697   5.183  -1.414
  364   3HZ   LYS  49          3HZ       LYS  49  -7.162   4.430  -1.037
  365    H    TYR  50           H        TYR  50  -1.460  -0.537  -1.037
  366    HA   TYR  50           HA       TYR  50   0.159  -0.887   1.344
  367   1HB   TYR  50          2HB       TYR  50   0.949  -1.116  -1.565
  368   2HB   TYR  50          1HB       TYR  50   1.899  -1.653  -0.185
  369    HD1  TYR  50           HD1      TYR  50   0.839  -3.475   1.328
  370    HD2  TYR  50           HD2      TYR  50  -0.538  -2.599  -2.607
  371    HE1  TYR  50           HE1      TYR  50  -0.236  -5.683   1.209
  372    HE2  TYR  50           HE2      TYR  50  -1.608  -4.805  -2.730
  373    HH   TYR  50           HH       TYR  50  -2.091  -6.745  -0.018
  374    H    VAL  51           H        VAL  51   0.750   0.992   2.299
  375    HA   VAL  51           HA       VAL  51   1.777   3.216   0.708
  376    HB   VAL  51           HB       VAL  51   1.604   2.907   3.720
  377   1HG1  VAL  51          1HG1      VAL  51   3.338   4.501   3.109
  378   2HG1  VAL  51          2HG1      VAL  51   1.945   5.351   3.777
  379   3HG1  VAL  51          3HG1      VAL  51   2.218   5.345   2.034
  380   1HG2  VAL  51          1HG2      VAL  51  -0.198   4.395   1.798
  381   2HG2  VAL  51          2HG2      VAL  51  -0.328   4.414   3.559
  382   3HG2  VAL  51          3HG2      VAL  51  -0.601   2.916   2.671
  383    H    LEU  52           H        LEU  52   3.907   3.719   0.418
  384    HA   LEU  52           HA       LEU  52   5.849   1.716   1.339
  385   1HB   LEU  52          2HB       LEU  52   5.668   2.077  -1.062
  386   2HB   LEU  52          1HB       LEU  52   6.024   3.782  -0.857
  387    HG   LEU  52           HG       LEU  52   8.298   3.222  -0.095
  388   1HD1  LEU  52          1HD1      LEU  52   7.843   1.047   0.924
  389   2HD1  LEU  52          2HD1      LEU  52   9.145   0.935  -0.260
  390   3HD1  LEU  52          3HD1      LEU  52   7.528   0.357  -0.668
  391   1HD2  LEU  52          1HD2      LEU  52   7.577   1.913  -2.721
  392   2HD2  LEU  52          2HD2      LEU  52   9.183   2.457  -2.236
  393   3HD2  LEU  52          3HD2      LEU  52   7.890   3.632  -2.476
  394    H    LYS  53           H        LYS  53   7.436   2.144   2.727
  395    HA   LYS  53           HA       LYS  53   7.648   4.626   4.088
  396   1HB   LYS  53          2HB       LYS  53   8.221   2.456   5.114
  397   2HB   LYS  53          1HB       LYS  53   9.581   2.295   4.014
  398   1HG   LYS  53          2HG       LYS  53  10.636   4.272   5.007
  399   2HG   LYS  53          1HG       LYS  53   9.266   4.453   6.103
  400   1HD   LYS  53          2HD       LYS  53  11.123   2.064   5.996
  401   2HD   LYS  53          1HD       LYS  53  11.178   3.354   7.199
  402   1HE   LYS  53          2HE       LYS  53   8.927   2.756   7.951
  403   2HE   LYS  53          1HE       LYS  53   8.847   1.485   6.731
  404   1HZ   LYS  53          1HZ       LYS  53  10.724   0.402   7.813
  405   2HZ   LYS  53          2HZ       LYS  53   9.421   0.575   8.872
  406   3HZ   LYS  53          3HZ       LYS  53  10.759   1.606   8.998
  407    H    GLY  54           H        GLY  54   9.137   6.276   3.918
  408   1HA   GLY  54          2HA       GLY  54  10.797   7.609   3.022
  409   2HA   GLY  54          1HA       GLY  54  11.475   6.171   2.278
  410    H    SER  55           H        SER  55   8.224   6.613   1.430
  411    HA   SER  55           HA       SER  55   9.019   7.524  -1.247
  412   1HB   SER  55          2HB       SER  55   7.719   5.422  -1.042
  413   2HB   SER  55          1HB       SER  55   6.393   6.325  -0.317
  414    HG   SER  55           HG       SER  55   6.606   5.854  -2.793
  415    H    LYS  56           H        LYS  56   6.721   8.598  -2.248
  416    HA   LYS  56           HA       LYS  56   6.875  11.277  -1.555
  417   1HB   LYS  56          2HB       LYS  56   5.851  10.218  -3.639
  418   2HB   LYS  56          1HB       LYS  56   4.391   9.982  -2.693
  419   1HG   LYS  56          2HG       LYS  56   4.091  11.949  -3.976
  420   2HG   LYS  56          1HG       LYS  56   4.352  12.466  -2.307
  421   1HD   LYS  56          2HD       LYS  56   6.657  13.026  -2.794
  422   2HD   LYS  56          1HD       LYS  56   6.506  12.373  -4.429
  423   1HE   LYS  56          2HE       LYS  56   4.770  14.105  -4.888
  424   2HE   LYS  56          1HE       LYS  56   5.105  14.798  -3.299
  425   1HZ   LYS  56          1HZ       LYS  56   7.075  14.494  -5.495
  426   2HZ   LYS  56          2HZ       LYS  56   7.377  15.188  -3.986
  427   3HZ   LYS  56          3HZ       LYS  56   6.312  15.936  -5.062
  428    H    ALA  57           H        ALA  57   4.540   8.857  -0.395
  429    HA   ALA  57           HA       ALA  57   3.026  10.800   1.121
  430   1HB   ALA  57          1HB       ALA  57   1.907   8.929   0.012
  431   2HB   ALA  57          2HB       ALA  57   1.621   8.903   1.752
  432   3HB   ALA  57          3HB       ALA  57   2.784   7.791   1.033
  433    H    ASP  58           H        ASP  58   5.956   9.501   1.771
  434    HA   ASP  58           HA       ASP  58   5.575   8.598   4.477
  435   1HB   ASP  58          2HB       ASP  58   7.399   7.763   3.008
  436   2HB   ASP  58          1HB       ASP  58   8.139   9.359   3.057
  437    H    ALA  59           H        ALA  59   6.567  11.621   2.956
  438    HA   ALA  59           HA       ALA  59   7.350  12.863   5.447
  439   1HB   ALA  59          1HB       ALA  59   7.697  14.876   4.078
  440   2HB   ALA  59          2HB       ALA  59   6.985  14.047   2.692
  441   3HB   ALA  59          3HB       ALA  59   8.496  13.463   3.388
  442    H    LEU  60           H        LEU  60   4.840  12.010   5.904
  443    HA   LEU  60           HA       LEU  60   2.852  14.002   5.324
  444   1HB   LEU  60          2HB       LEU  60   1.456  12.646   6.946
  445   2HB   LEU  60          1HB       LEU  60   2.025  11.812   5.516
  446    HG   LEU  60           HG       LEU  60   3.903  10.868   6.974
  447   1HD1  LEU  60          1HD1      LEU  60   3.746  12.389   8.859
  448   2HD1  LEU  60          2HD1      LEU  60   3.447  10.733   9.384
  449   3HD1  LEU  60          3HD1      LEU  60   2.097  11.853   9.186
  450   1HD2  LEU  60          1HD2      LEU  60   2.506   9.066   7.815
  451   2HD2  LEU  60          2HD2      LEU  60   1.966   9.560   6.210
  452   3HD2  LEU  60          3HD2      LEU  60   1.065  10.069   7.637
  453    H    GLU  61           H        GLU  61   1.705  15.271   6.898
  454    HA   GLU  61           HA       GLU  61   1.616  16.879   8.502
  455   1HB   GLU  61          2HB       GLU  61   2.990  14.735  10.138
  456   2HB   GLU  61          1HB       GLU  61   2.174  16.149  10.796
  457   1HG   GLU  61          2HG       GLU  61   0.069  15.330   9.707
  458   2HG   GLU  61          1HG       GLU  61   0.933  13.850   9.294
  459    H    HIS  62           H        HIS  62   3.881  17.073   6.761
  460    HA   HIS  62           HA       HIS  62   6.237  17.703   8.284
  461   1HB   HIS  62          2HB       HIS  62   6.226  16.830   5.923
  462   2HB   HIS  62          1HB       HIS  62   5.611  18.390   5.397
  463    HD1  HIS  62           HD1      HIS  62   8.709  16.746   6.754
  464    HD2  HIS  62           HD2      HIS  62   7.524  20.397   5.166
  465    HE1  HIS  62           HE1      HIS  62  10.831  18.010   6.321
  466    HE2  HIS  62           HE2      HIS  62  10.086  20.251   5.461
  467    H    HIS  63           H        HIS  63   3.477  19.265   8.421
  468    HA   HIS  63           HA       HIS  63   2.838  21.332   9.120
  469   1HB   HIS  63          2HB       HIS  63   4.873  21.134  10.548
  470   2HB   HIS  63          1HB       HIS  63   5.807  21.924   9.286
  471    HD1  HIS  63           HD1      HIS  63   6.289  24.236  10.002
  472    HD2  HIS  63           HD2      HIS  63   2.464  23.062  11.117
  473    HE1  HIS  63           HE1      HIS  63   5.284  26.221  11.151
  474    HE2  HIS  63           HE2      HIS  63   3.061  25.417  11.991
  475    H    HIS  64           H        HIS  64   3.619  20.730   6.215
  476    HA   HIS  64           HA       HIS  64   4.121  23.449   5.219
  477   1HB   HIS  64          2HB       HIS  64   5.477  21.527   4.353
  478   2HB   HIS  64          1HB       HIS  64   4.006  20.839   3.678
  479    HD1  HIS  64           HD1      HIS  64   6.572  23.463   3.096
  480    HD2  HIS  64           HD2      HIS  64   3.010  22.179   1.384
  481    HE1  HIS  64           HE1      HIS  64   6.456  24.581   0.855
  482    HE2  HIS  64           HE2      HIS  64   4.233  23.905  -0.097
  483    H    HIS  65           H        HIS  65   2.478  24.688   4.509
  484    HA   HIS  65           HA       HIS  65  -0.203  23.636   4.349
  485   1HB   HIS  65          2HB       HIS  65   0.966  26.392   3.977
  486   2HB   HIS  65          1HB       HIS  65  -0.729  26.059   3.639
  487    HD1  HIS  65           HD1      HIS  65   0.857  27.725   6.076
  488    HD2  HIS  65           HD2      HIS  65  -1.513  24.324   6.270
  489    HE1  HIS  65           HE1      HIS  65  -0.026  27.660   8.421
  490    HE2  HIS  65           HE2      HIS  65  -1.607  25.707   8.446
  491    H    HIS  66           H        HIS  66  -1.629  24.396   2.496
  492    HA   HIS  66           HA       HIS  66  -0.360  24.428  -0.136
  493   1HB   HIS  66          2HB       HIS  66  -1.718  22.573  -0.986
  494   2HB   HIS  66          1HB       HIS  66  -0.715  22.025   0.353
  495    HD1  HIS  66           HD1      HIS  66  -4.271  22.650  -0.615
  496    HD2  HIS  66           HD2      HIS  66  -2.135  21.244   2.661
  497    HE1  HIS  66           HE1      HIS  66  -5.981  21.634   0.912
  498    HE2  HIS  66           HE2      HIS  66  -4.656  20.676   2.820
  499    H    HIS  67           H        HIS  67  -2.095  26.131   1.695
  500    HA   HIS  67           HA       HIS  67  -4.527  26.444   0.069
  501   1HB   HIS  67          2HB       HIS  67  -4.741  26.207   2.552
  502   2HB   HIS  67          1HB       HIS  67  -3.841  27.707   2.742
  503    HD1  HIS  67           HD1      HIS  67  -7.202  26.367   2.026
  504    HD2  HIS  67           HD2      HIS  67  -5.292  30.054   1.950
  505    HE1  HIS  67           HE1      HIS  67  -9.035  28.071   1.901
  506    HE2  HIS  67           HE2      HIS  67  -7.859  30.284   1.740
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  -8.594   8.291  20.546
    2   2H    MET   1          2H        MET   1  -6.939   8.075  20.298
    3   3H    MET   1          3H        MET   1  -7.626   7.678  21.792
    4    HA   MET   1           HA       MET   1  -7.173   5.690  20.532
    5   1HB   MET   1          2HB       MET   1 -10.135   6.313  20.702
    6   2HB   MET   1          1HB       MET   1  -9.434   4.703  20.587
    7   1HG   MET   1          2HG       MET   1  -9.111   6.646  22.866
    8   2HG   MET   1          1HG       MET   1 -10.068   5.165  22.862
    9   1HE   MET   1          1HE       MET   1  -7.984   5.807  25.131
   10   2HE   MET   1          2HE       MET   1  -7.162   4.255  25.298
   11   3HE   MET   1          3HE       MET   1  -8.910   4.309  25.066
   12    H    THR   2           H        THR   2  -7.027   4.660  18.602
   13    HA   THR   2           HA       THR   2  -7.600   6.074  16.178
   14    HB   THR   2           HB       THR   2  -6.925   3.875  15.070
   15    HG1  THR   2           HG1      THR   2  -5.675   2.818  17.172
   16   1HG2  THR   2          1HG2      THR   2  -5.320   5.688  15.403
   17   2HG2  THR   2          2HG2      THR   2  -4.547   4.122  15.656
   18   3HG2  THR   2          3HG2      THR   2  -4.995   5.117  17.042
   19    H    ILE   3           H        ILE   3  -8.876   5.210  14.383
   20    HA   ILE   3           HA       ILE   3 -11.532   4.460  15.157
   21    HB   ILE   3           HB       ILE   3 -10.330   4.472  12.369
   22   1HG1  ILE   3          2HG1      ILE   3 -11.727   6.708  13.872
   23   2HG1  ILE   3          1HG1      ILE   3 -10.010   6.646  13.497
   24   1HG2  ILE   3          1HG2      ILE   3 -13.202   4.693  13.292
   25   2HG2  ILE   3          2HG2      ILE   3 -12.474   3.304  12.483
   26   3HG2  ILE   3          3HG2      ILE   3 -12.650   4.835  11.625
   27   1HD1  ILE   3          1HD1      ILE   3 -11.207   8.127  11.990
   28   2HD1  ILE   3          2HD1      ILE   3 -12.242   6.794  11.483
   29   3HD1  ILE   3          3HD1      ILE   3 -10.517   6.758  11.117
   30    H    GLN   4           H        GLN   4  -8.725   2.710  14.694
   31    HA   GLN   4           HA       GLN   4  -8.223   0.519  14.888
   32   1HB   GLN   4          2HB       GLN   4 -11.206   0.109  15.216
   33   2HB   GLN   4          1HB       GLN   4  -9.985  -1.127  15.487
   34   1HG   GLN   4          2HG       GLN   4  -9.027   0.240  17.294
   35   2HG   GLN   4          1HG       GLN   4 -10.294   1.438  17.042
   36   1HE2  GLN   4          1HE2      GLN   4 -12.329  -0.604  16.515
   37   2HE2  GLN   4          2HE2      GLN   4 -12.705  -1.298  18.050
   38    H    ALA   5           H        ALA   5  -9.477   1.820  12.277
   39    HA   ALA   5           HA       ALA   5  -9.348  -0.704  10.743
   40   1HB   ALA   5          1HB       ALA   5 -11.009   0.145   9.181
   41   2HB   ALA   5          2HB       ALA   5 -11.160   1.630  10.122
   42   3HB   ALA   5          3HB       ALA   5 -11.665   0.089  10.816
   43    HA   PRO   6           HA       PRO   6  -6.315   2.146   8.793
   44   1HB   PRO   6          2HB       PRO   6  -4.017   1.042   9.629
   45   2HB   PRO   6          1HB       PRO   6  -4.952   2.122  10.669
   46   1HG   PRO   6          2HG       PRO   6  -4.604  -0.809  10.840
   47   2HG   PRO   6          1HG       PRO   6  -5.023   0.349  12.110
   48   1HD   PRO   6          2HD       PRO   6  -6.795  -1.351  10.583
   49   2HD   PRO   6          1HD       PRO   6  -7.206  -0.228  11.897
   50    H    GLU   7           H        GLU   7  -7.004   1.273   6.751
   51    HA   GLU   7           HA       GLU   7  -5.897  -1.250   5.869
   52   1HB   GLU   7          2HB       GLU   7  -6.997  -0.623   3.657
   53   2HB   GLU   7          1HB       GLU   7  -8.065  -0.853   5.031
   54   1HG   GLU   7          2HG       GLU   7  -8.820   1.042   3.818
   55   2HG   GLU   7          1HG       GLU   7  -8.136   1.606   5.335
   56    H    THR   8           H        THR   8  -4.481   1.495   6.355
   57    HA   THR   8           HA       THR   8  -2.906   1.695   3.905
   58    HB   THR   8           HB       THR   8  -2.809   3.295   6.477
   59    HG1  THR   8           HG1      THR   8  -4.594   3.578   4.897
   60   1HG2  THR   8          1HG2      THR   8  -0.566   3.230   5.512
   61   2HG2  THR   8          2HG2      THR   8  -1.282   4.823   5.271
   62   3HG2  THR   8          3HG2      THR   8  -1.213   3.677   3.933
   63    H    LYS   9           H        LYS   9  -1.261   0.346   3.624
   64    HA   LYS   9           HA       LYS   9  -0.073  -0.995   5.955
   65   1HB   LYS   9          2HB       LYS   9  -1.180  -2.288   4.057
   66   2HB   LYS   9          1HB       LYS   9   0.159  -1.781   3.040
   67   1HG   LYS   9          2HG       LYS   9   0.632  -3.983   3.793
   68   2HG   LYS   9          1HG       LYS   9   1.709  -2.895   4.668
   69   1HD   LYS   9          2HD       LYS   9   0.423  -3.064   6.659
   70   2HD   LYS   9          1HD       LYS   9  -0.921  -3.837   5.810
   71   1HE   LYS   9          2HE       LYS   9   0.537  -5.795   5.374
   72   2HE   LYS   9          1HE       LYS   9   1.818  -5.020   6.304
   73   1HZ   LYS   9          1HZ       LYS   9   0.549  -6.649   7.601
   74   2HZ   LYS   9          2HZ       LYS   9  -0.854  -5.734   7.383
   75   3HZ   LYS   9          3HZ       LYS   9   0.443  -5.095   8.258
   76    H    ILE  10           H        ILE  10   1.760  -0.014   6.640
   77    HA   ILE  10           HA       ILE  10   3.474   1.472   4.851
   78    HB   ILE  10           HB       ILE  10   3.942   0.742   7.754
   79   1HG1  ILE  10          2HG1      ILE  10   2.772   3.282   6.571
   80   2HG1  ILE  10          1HG1      ILE  10   1.855   2.040   7.414
   81   1HG2  ILE  10          1HG2      ILE  10   5.242   2.852   6.020
   82   2HG2  ILE  10          2HG2      ILE  10   6.000   1.373   6.609
   83   3HG2  ILE  10          3HG2      ILE  10   5.522   2.630   7.749
   84   1HD1  ILE  10          1HD1      ILE  10   4.034   3.737   8.610
   85   2HD1  ILE  10          2HD1      ILE  10   3.108   2.497   9.456
   86   3HD1  ILE  10          3HD1      ILE  10   2.298   3.943   8.853
   87    H    VAL  11           H        VAL  11   4.405   0.100   3.384
   88    HA   VAL  11           HA       VAL  11   5.740  -2.342   4.318
   89    HB   VAL  11           HB       VAL  11   5.422  -1.533   1.428
   90   1HG1  VAL  11          1HG1      VAL  11   6.932  -3.419   2.007
   91   2HG1  VAL  11          2HG1      VAL  11   5.577  -3.903   0.990
   92   3HG1  VAL  11          3HG1      VAL  11   5.557  -4.265   2.716
   93   1HG2  VAL  11          1HG2      VAL  11   3.196  -1.399   2.416
   94   2HG2  VAL  11          2HG2      VAL  11   3.391  -3.005   3.118
   95   3HG2  VAL  11          3HG2      VAL  11   3.316  -2.811   1.366
   96    H    ASP  12           H        ASP  12   7.879  -2.882   3.540
   97    HA   ASP  12           HA       ASP  12   9.645  -0.545   3.440
   98   1HB   ASP  12          2HB       ASP  12  10.033  -2.243   5.176
   99   2HB   ASP  12          1HB       ASP  12  10.240  -3.477   3.938
  100    H    LYS  13           H        LYS  13   8.208  -2.518   1.202
  101    HA   LYS  13           HA       LYS  13  10.360  -2.113  -0.761
  102   1HB   LYS  13          2HB       LYS  13   8.863  -4.713  -0.329
  103   2HB   LYS  13          1HB       LYS  13   9.937  -4.392  -1.684
  104   1HG   LYS  13          2HG       LYS  13  11.830  -4.197  -0.188
  105   2HG   LYS  13          1HG       LYS  13  10.778  -4.383   1.215
  106   1HD   LYS  13          2HD       LYS  13  11.229  -6.466  -0.932
  107   2HD   LYS  13          1HD       LYS  13  11.965  -6.469   0.672
  108   1HE   LYS  13          2HE       LYS  13   9.720  -6.611   1.680
  109   2HE   LYS  13          1HE       LYS  13   9.010  -6.656   0.067
  110   1HZ   LYS  13          1HZ       LYS  13  10.172  -8.717  -0.364
  111   2HZ   LYS  13          2HZ       LYS  13   9.228  -8.866   1.030
  112   3HZ   LYS  13          3HZ       LYS  13  10.901  -8.661   1.162
  113    H    SER  14           H        SER  14   9.652  -1.990  -2.953
  114    HA   SER  14           HA       SER  14   6.961  -0.993  -3.303
  115   1HB   SER  14          2HB       SER  14   7.649  -0.647  -5.658
  116   2HB   SER  14          1HB       SER  14   8.804   0.040  -4.528
  117    HG   SER  14           HG       SER  14  10.074  -1.051  -5.872
  118    H    ARG  15           H        ARG  15   8.774  -3.850  -4.328
  119    HA   ARG  15           HA       ARG  15   6.581  -5.048  -5.742
  120   1HB   ARG  15          2HB       ARG  15   9.265  -6.056  -4.801
  121   2HB   ARG  15          1HB       ARG  15   8.096  -7.120  -5.575
  122   1HG   ARG  15          2HG       ARG  15   8.221  -5.961  -7.619
  123   2HG   ARG  15          1HG       ARG  15   9.015  -4.571  -6.875
  124   1HD   ARG  15          2HD       ARG  15  10.295  -7.297  -6.937
  125   2HD   ARG  15          1HD       ARG  15  10.469  -6.151  -8.269
  126    HE   ARG  15           HE       ARG  15  11.133  -4.844  -5.881
  127   1HH1  ARG  15          1HH1      ARG  15  12.332  -7.416  -7.836
  128   2HH1  ARG  15          2HH1      ARG  15  13.986  -7.055  -7.492
  129   1HH2  ARG  15          1HH2      ARG  15  13.250  -4.365  -5.466
  130   2HH2  ARG  15          2HH2      ARG  15  14.503  -5.346  -6.149
  131    H    VAL  16           H        VAL  16   4.810  -5.254  -4.444
  132    HA   VAL  16           HA       VAL  16   5.092  -6.806  -1.943
  133    HB   VAL  16           HB       VAL  16   2.844  -4.928  -2.714
  134   1HG1  VAL  16          1HG1      VAL  16   2.094  -6.682  -1.216
  135   2HG1  VAL  16          2HG1      VAL  16   2.184  -5.154  -0.340
  136   3HG1  VAL  16          3HG1      VAL  16   3.446  -6.369  -0.126
  137   1HG2  VAL  16          1HG2      VAL  16   3.778  -3.391  -1.047
  138   2HG2  VAL  16          2HG2      VAL  16   4.932  -3.702  -2.345
  139   3HG2  VAL  16          3HG2      VAL  16   5.130  -4.494  -0.782
  140    H    ALA  17           H        ALA  17   3.904  -8.640  -1.641
  141    HA   ALA  17           HA       ALA  17   2.441  -9.665  -3.970
  142   1HB   ALA  17          1HB       ALA  17   2.685 -11.866  -2.927
  143   2HB   ALA  17          2HB       ALA  17   3.449 -11.120  -1.523
  144   3HB   ALA  17          3HB       ALA  17   4.247 -11.059  -3.094
  145    H    CYS  18           H        CYS  18   0.288  -9.467  -3.974
  146    HA   CYS  18           HA       CYS  18  -1.311  -8.963  -1.683
  147   1HB   CYS  18          2HB       CYS  18  -2.180  -8.259  -3.777
  148   2HB   CYS  18          1HB       CYS  18  -1.981  -9.857  -4.487
  149    HG   CYS  18           HG       CYS  18  -4.429  -8.733  -2.418
  150    H    ASP  19           H        ASP  19  -2.030 -10.324  -0.172
  151    HA   ASP  19           HA       ASP  19  -1.834 -13.214  -0.623
  152   1HB   ASP  19          2HB       ASP  19  -0.711 -12.272   1.365
  153   2HB   ASP  19          1HB       ASP  19  -2.256 -11.657   1.939
  154    H    GLY  20           H        GLY  20  -4.099 -11.279   1.355
  155   1HA   GLY  20          2HA       GLY  20  -6.405 -11.438  -0.057
  156   2HA   GLY  20          1HA       GLY  20  -6.283 -13.047   0.638
  157    H    GLY  21           H        GLY  21  -8.473 -11.882   1.386
  158   1HA   GLY  21          2HA       GLY  21  -8.074 -10.542   3.967
  159   2HA   GLY  21          1HA       GLY  21  -9.621 -10.895   3.200
  160    H    GLU  22           H        GLU  22 -10.668 -12.804   3.665
  161    HA   GLU  22           HA       GLU  22  -9.521 -14.607   5.644
  162   1HB   GLU  22          2HB       GLU  22 -12.134 -14.886   4.135
  163   2HB   GLU  22          1HB       GLU  22 -11.665 -15.742   5.597
  164   1HG   GLU  22          2HG       GLU  22 -11.708 -13.623   6.838
  165   2HG   GLU  22          1HG       GLU  22 -12.210 -12.783   5.369
  166    H    GLY  23           H        GLY  23  -9.506 -17.014   5.174
  167   1HA   GLY  23          2HA       GLY  23  -8.104 -17.873   2.989
  168   2HA   GLY  23          1HA       GLY  23  -9.270 -18.882   3.825
  169    H    ALA  24           H        ALA  24 -11.672 -17.846   3.180
  170    HA   ALA  24           HA       ALA  24 -12.149 -18.697   0.531
  171   1HB   ALA  24          1HB       ALA  24 -13.951 -17.042   2.301
  172   2HB   ALA  24          2HB       ALA  24 -13.820 -18.800   2.337
  173   3HB   ALA  24          3HB       ALA  24 -14.442 -17.991   0.899
  174    H    LEU  25           H        LEU  25 -11.084 -15.677   1.707
  175    HA   LEU  25           HA       LEU  25 -11.707 -14.340  -0.856
  176   1HB   LEU  25          2HB       LEU  25 -10.953 -13.132   1.819
  177   2HB   LEU  25          1HB       LEU  25 -11.269 -12.225   0.355
  178    HG   LEU  25           HG       LEU  25 -13.296 -13.909   1.843
  179   1HD1  LEU  25          1HD1      LEU  25 -12.712 -11.905   3.084
  180   2HD1  LEU  25          2HD1      LEU  25 -14.334 -11.752   2.409
  181   3HD1  LEU  25          3HD1      LEU  25 -12.981 -10.912   1.652
  182   1HD2  LEU  25          1HD2      LEU  25 -13.611 -12.128  -0.578
  183   2HD2  LEU  25          2HD2      LEU  25 -14.933 -12.873   0.318
  184   3HD2  LEU  25          3HD2      LEU  25 -13.772 -13.885  -0.537
  185    H    GLY  26           H        GLY  26  -9.465 -16.246  -0.028
  186   1HA   GLY  26          2HA       GLY  26  -7.055 -14.690   0.073
  187   2HA   GLY  26          1HA       GLY  26  -7.169 -16.431  -0.106
  188    H    HIS  27           H        HIS  27  -6.017 -13.781  -1.545
  189    HA   HIS  27           HA       HIS  27  -6.582 -14.547  -4.310
  190   1HB   HIS  27          2HB       HIS  27  -4.887 -12.256  -3.269
  191   2HB   HIS  27          1HB       HIS  27  -5.471 -12.472  -4.917
  192    HD1  HIS  27           HD1      HIS  27  -6.229 -10.546  -2.041
  193    HD2  HIS  27           HD2      HIS  27  -8.533 -12.652  -4.797
  194    HE1  HIS  27           HE1      HIS  27  -8.564  -9.646  -1.799
  195    HE2  HIS  27           HE2      HIS  27  -9.958 -11.017  -3.385
  196    HA   PRO  28           HA       PRO  28  -3.092 -17.242  -4.014
  197   1HB   PRO  28          2HB       PRO  28  -3.070 -18.218  -6.532
  198   2HB   PRO  28          1HB       PRO  28  -4.358 -18.595  -5.379
  199   1HG   PRO  28          2HG       PRO  28  -4.337 -16.561  -7.586
  200   2HG   PRO  28          1HG       PRO  28  -5.605 -17.720  -7.151
  201   1HD   PRO  28          2HD       PRO  28  -5.669 -15.110  -6.394
  202   2HD   PRO  28          1HD       PRO  28  -6.385 -16.414  -5.424
  203    H    ARG  29           H        ARG  29  -2.089 -14.614  -4.229
  204    HA   ARG  29           HA       ARG  29  -0.055 -13.787  -4.322
  205   1HB   ARG  29          2HB       ARG  29   0.873 -15.947  -3.993
  206   2HB   ARG  29          1HB       ARG  29   0.579 -16.410  -5.656
  207   1HG   ARG  29          2HG       ARG  29   2.418 -14.135  -5.029
  208   2HG   ARG  29          1HG       ARG  29   2.970 -15.799  -4.892
  209   1HD   ARG  29          2HD       ARG  29   1.929 -16.036  -7.269
  210   2HD   ARG  29          1HD       ARG  29   2.079 -14.284  -7.298
  211    HE   ARG  29           HE       ARG  29   4.515 -15.607  -6.548
  212   1HH1  ARG  29          1HH1      ARG  29   2.600 -14.578  -9.217
  213   2HH1  ARG  29          2HH1      ARG  29   3.941 -14.530 -10.304
  214   1HH2  ARG  29          1HH2      ARG  29   6.217 -15.577  -7.945
  215   2HH2  ARG  29          2HH2      ARG  29   5.975 -15.094  -9.591
  216    H    VAL  30           H        VAL  30  -0.564 -12.087  -5.412
  217    HA   VAL  30           HA       VAL  30   0.463 -11.977  -8.170
  218    HB   VAL  30           HB       VAL  30  -1.153 -10.166  -8.733
  219   1HG1  VAL  30          1HG1      VAL  30  -1.567 -12.449  -9.490
  220   2HG1  VAL  30          2HG1      VAL  30  -3.086 -11.628  -9.130
  221   3HG1  VAL  30          3HG1      VAL  30  -2.429 -12.806  -7.992
  222   1HG2  VAL  30          1HG2      VAL  30  -3.173  -9.865  -7.376
  223   2HG2  VAL  30          2HG2      VAL  30  -1.727  -9.452  -6.457
  224   3HG2  VAL  30          3HG2      VAL  30  -2.543 -10.992  -6.173
  225    H    TRP  31           H        TRP  31   1.704 -10.124  -8.655
  226    HA   TRP  31           HA       TRP  31   2.671  -8.787  -6.206
  227   1HB   TRP  31          2HB       TRP  31   4.115  -9.551  -8.747
  228   2HB   TRP  31          1HB       TRP  31   4.823  -8.517  -7.510
  229    HD1  TRP  31           HD       TRP  31   3.581 -12.148  -7.985
  230    HE1  TRP  31           HE1      TRP  31   4.744 -13.630  -6.229
  231    HE3  TRP  31           HE3      TRP  31   6.011  -8.511  -5.333
  232    HZ2  TRP  31           HZ2      TRP  31   6.471 -13.300  -4.021
  233    HZ3  TRP  31           HZ3      TRP  31   7.399  -9.178  -3.414
  234    HH2  TRP  31           HH       TRP  31   7.622 -11.525  -2.774
  235    H    LEU  32           H        LEU  32   2.392  -6.695  -5.984
  236    HA   LEU  32           HA       LEU  32   1.814  -5.026  -8.341
  237   1HB   LEU  32          2HB       LEU  32   1.313  -4.511  -5.398
  238   2HB   LEU  32          1HB       LEU  32   0.954  -3.375  -6.684
  239    HG   LEU  32           HG       LEU  32  -0.636  -5.116  -7.633
  240   1HD1  LEU  32          1HD1      LEU  32  -1.475  -6.830  -6.087
  241   2HD1  LEU  32          2HD1      LEU  32  -0.210  -6.407  -4.934
  242   3HD1  LEU  32          3HD1      LEU  32   0.218  -7.091  -6.501
  243   1HD2  LEU  32          1HD2      LEU  32  -1.208  -3.970  -4.896
  244   2HD2  LEU  32          2HD2      LEU  32  -2.425  -4.586  -6.015
  245   3HD2  LEU  32          3HD2      LEU  32  -1.465  -3.173  -6.450
  246    H    GLN  33           H        GLN  33   2.755  -2.841  -8.392
  247    HA   GLN  33           HA       GLN  33   5.399  -2.700  -7.076
  248   1HB   GLN  33          2HB       GLN  33   5.822  -3.256  -9.354
  249   2HB   GLN  33          1HB       GLN  33   4.658  -2.078  -9.938
  250   1HG   GLN  33          2HG       GLN  33   6.992  -1.400 -10.309
  251   2HG   GLN  33          1HG       GLN  33   6.102  -0.258  -9.308
  252   1HE2  GLN  33          1HE2      GLN  33   7.332  -3.287  -8.050
  253   2HE2  GLN  33          2HE2      GLN  33   8.539  -2.582  -7.042
  254    H    ILE  34           H        ILE  34   5.272  -1.156  -5.606
  255    HA   ILE  34           HA       ILE  34   3.544   1.100  -5.739
  256    HB   ILE  34           HB       ILE  34   5.966   0.674  -3.973
  257   1HG1  ILE  34          2HG1      ILE  34   3.042   0.092  -3.406
  258   2HG1  ILE  34          1HG1      ILE  34   4.266  -1.125  -3.758
  259   1HG2  ILE  34          1HG2      ILE  34   4.888   2.308  -2.476
  260   2HG2  ILE  34          2HG2      ILE  34   3.635   2.571  -3.689
  261   3HG2  ILE  34          3HG2      ILE  34   5.308   3.004  -4.042
  262   1HD1  ILE  34          1HD1      ILE  34   4.231   0.716  -1.376
  263   2HD1  ILE  34          2HD1      ILE  34   5.468  -0.489  -1.725
  264   3HD1  ILE  34          3HD1      ILE  34   3.817  -0.998  -1.382
  265    HA   PRO  35           HA       PRO  35   6.422   3.506  -8.302
  266   1HB   PRO  35          2HB       PRO  35   4.721   5.440  -9.035
  267   2HB   PRO  35          1HB       PRO  35   4.562   3.797  -9.675
  268   1HG   PRO  35          2HG       PRO  35   3.058   5.107  -7.429
  269   2HG   PRO  35          1HG       PRO  35   2.421   4.139  -8.767
  270   1HD   PRO  35          2HD       PRO  35   2.886   3.129  -6.262
  271   2HD   PRO  35          1HD       PRO  35   2.957   2.142  -7.736
  272    H    GLU  36           H        GLU  36   7.700   5.297  -7.916
  273    HA   GLU  36           HA       GLU  36   7.798   6.421  -5.325
  274   1HB   GLU  36          2HB       GLU  36   9.060   7.476  -7.872
  275   2HB   GLU  36          1HB       GLU  36   9.494   7.966  -6.242
  276   1HG   GLU  36          2HG       GLU  36  11.152   6.448  -7.001
  277   2HG   GLU  36          1HG       GLU  36  10.187   5.609  -5.792
  278    H    ASP  37           H        ASP  37   6.215   7.419  -8.249
  279    HA   ASP  37           HA       ASP  37   5.775  10.133  -7.806
  280   1HB   ASP  37          2HB       ASP  37   3.927   8.164  -9.182
  281   2HB   ASP  37          1HB       ASP  37   3.950   9.913  -9.415
  282    H    THR  38           H        THR  38   3.677   7.380  -6.944
  283    HA   THR  38           HA       THR  38   1.844   9.146  -5.508
  284    HB   THR  38           HB       THR  38   0.425   7.186  -5.230
  285    HG1  THR  38           HG1      THR  38   1.113   5.145  -5.914
  286   1HG2  THR  38          1HG2      THR  38   0.005   6.611  -7.579
  287   2HG2  THR  38          2HG2      THR  38   1.562   7.306  -8.033
  288   3HG2  THR  38          3HG2      THR  38   0.287   8.342  -7.388
  289    H    GLY  39           H        GLY  39   3.908   6.322  -4.827
  290   1HA   GLY  39          2HA       GLY  39   5.139   6.017  -2.816
  291   2HA   GLY  39          1HA       GLY  39   4.060   7.144  -2.004
  292    H    TRP  40           H        TRP  40   2.179   5.127  -3.843
  293    HA   TRP  40           HA       TRP  40   1.974   2.928  -1.976
  294   1HB   TRP  40          2HB       TRP  40  -0.394   3.443  -1.352
  295   2HB   TRP  40          1HB       TRP  40   0.772   4.591  -0.703
  296    HD1  TRP  40           HD       TRP  40   0.623   7.101  -1.524
  297    HE1  TRP  40           HE1      TRP  40  -1.147   8.413  -2.850
  298    HE3  TRP  40           HE3      TRP  40  -2.144   3.177  -3.288
  299    HZ2  TRP  40           HZ2      TRP  40  -3.408   7.860  -4.437
  300    HZ3  TRP  40           HZ3      TRP  40  -4.094   3.657  -4.708
  301    HH2  TRP  40           HH       TRP  40  -4.712   5.954  -5.269
  302    H    VAL  41           H        VAL  41   0.248   1.381  -2.565
  303    HA   VAL  41           HA       VAL  41  -0.943   1.741  -5.221
  304    HB   VAL  41           HB       VAL  41   1.170   0.496  -5.592
  305   1HG1  VAL  41          1HG1      VAL  41   1.414  -1.803  -4.776
  306   2HG1  VAL  41          2HG1      VAL  41  -0.070  -1.630  -3.839
  307   3HG1  VAL  41          3HG1      VAL  41   1.342  -0.649  -3.442
  308   1HG2  VAL  41          1HG2      VAL  41  -1.342  -1.115  -6.059
  309   2HG2  VAL  41          2HG2      VAL  41   0.194  -1.354  -6.893
  310   3HG2  VAL  41          3HG2      VAL  41  -0.700   0.153  -7.107
  311    H    GLU  42           H        GLU  42  -2.975   0.838  -5.409
  312    HA   GLU  42           HA       GLU  42  -4.086  -0.289  -2.927
  313   1HB   GLU  42          2HB       GLU  42  -6.272   0.342  -3.799
  314   2HB   GLU  42          1HB       GLU  42  -5.178   1.719  -3.846
  315   1HG   GLU  42          2HG       GLU  42  -4.867   1.467  -6.215
  316   2HG   GLU  42          1HG       GLU  42  -5.789  -0.037  -6.220
  317    H    CYS  43           H        CYS  43  -5.243  -2.213  -2.847
  318    HA   CYS  43           HA       CYS  43  -5.100  -3.957  -5.213
  319   1HB   CYS  43          2HB       CYS  43  -5.850  -4.566  -2.345
  320   2HB   CYS  43          1HB       CYS  43  -5.824  -5.756  -3.643
  321    HG   CYS  43           HG       CYS  43  -2.924  -4.295  -3.663
  322    HA   PRO  44           HA       PRO  44  -9.300  -2.674  -6.043
  323   1HB   PRO  44          2HB       PRO  44  -9.706  -4.102  -8.301
  324   2HB   PRO  44          1HB       PRO  44  -8.630  -2.699  -8.248
  325   1HG   PRO  44          2HG       PRO  44  -7.938  -5.618  -8.104
  326   2HG   PRO  44          1HG       PRO  44  -7.171  -4.338  -9.063
  327   1HD   PRO  44          2HD       PRO  44  -6.141  -5.217  -6.708
  328   2HD   PRO  44          1HD       PRO  44  -5.957  -3.541  -7.267
  329    H    TYR  45           H        TYR  45  -8.703  -5.228  -4.326
  330    HA   TYR  45           HA       TYR  45 -11.325  -6.506  -4.794
  331   1HB   TYR  45          2HB       TYR  45  -8.935  -7.721  -3.384
  332   2HB   TYR  45          1HB       TYR  45 -10.462  -8.522  -3.741
  333    HD1  TYR  45           HD1      TYR  45 -11.051  -9.019  -6.130
  334    HD2  TYR  45           HD2      TYR  45  -7.198  -7.602  -5.002
  335    HE1  TYR  45           HE1      TYR  45 -10.137  -9.813  -8.268
  336    HE2  TYR  45           HE2      TYR  45  -6.273  -8.398  -7.136
  337    HH   TYR  45           HH       TYR  45  -8.236  -9.369  -9.744
  338    H    CYS  46           H        CYS  46  -9.313  -6.816  -1.901
  339    HA   CYS  46           HA       CYS  46 -10.940  -5.048  -0.292
  340   1HB   CYS  46          2HB       CYS  46 -11.293  -8.043  -0.128
  341   2HB   CYS  46          1HB       CYS  46 -11.648  -7.001   1.244
  342    HG   CYS  46           HG       CYS  46 -13.718  -5.638   0.045
  343    H    ASP  47           H        ASP  47  -8.071  -5.826  -0.941
  344    HA   ASP  47           HA       ASP  47  -7.029  -6.996   1.477
  345   1HB   ASP  47          2HB       ASP  47  -5.492  -5.837  -0.852
  346   2HB   ASP  47          1HB       ASP  47  -4.906  -6.990   0.342
  347    H    CYS  48           H        CYS  48  -5.318  -4.291  -0.022
  348    HA   CYS  48           HA       CYS  48  -5.875  -2.435   2.105
  349   1HB   CYS  48          2HB       CYS  48  -3.162  -3.792   2.025
  350   2HB   CYS  48          1HB       CYS  48  -3.533  -2.359   2.975
  351    HG   CYS  48           HG       CYS  48  -5.765  -4.203   4.087
  352    H    LYS  49           H        LYS  49  -4.393  -0.505   1.991
  353    HA   LYS  49           HA       LYS  49  -3.457   0.068  -0.736
  354   1HB   LYS  49          2HB       LYS  49  -4.986   1.710   0.389
  355   2HB   LYS  49          1HB       LYS  49  -3.763   1.948   1.629
  356   1HG   LYS  49          2HG       LYS  49  -2.206   2.605  -0.308
  357   2HG   LYS  49          1HG       LYS  49  -3.679   2.733  -1.267
  358   1HD   LYS  49          2HD       LYS  49  -2.966   4.299   1.217
  359   2HD   LYS  49          1HD       LYS  49  -3.084   4.913  -0.430
  360   1HE   LYS  49          2HE       LYS  49  -5.093   5.604   0.432
  361   2HE   LYS  49          1HE       LYS  49  -5.562   4.048  -0.243
  362   1HZ   LYS  49          1HZ       LYS  49  -5.456   3.062   1.918
  363   2HZ   LYS  49          2HZ       LYS  49  -6.391   4.463   2.038
  364   3HZ   LYS  49          3HZ       LYS  49  -4.803   4.464   2.596
  365    H    TYR  50           H        TYR  50  -1.351  -0.599  -0.991
  366    HA   TYR  50           HA       TYR  50   0.375  -0.843   1.322
  367   1HB   TYR  50          2HB       TYR  50   0.811  -1.522  -1.591
  368   2HB   TYR  50          1HB       TYR  50   1.983  -1.838  -0.315
  369    HD1  TYR  50           HD2      TYR  50   1.331  -3.408   1.564
  370    HD2  TYR  50           HD1      TYR  50  -0.985  -3.034  -1.989
  371    HE1  TYR  50           HE2      TYR  50   0.244  -5.554   2.055
  372    HE2  TYR  50           HE1      TYR  50  -2.078  -5.185  -1.501
  373    HH   TYR  50           HH       TYR  50  -1.763  -7.175  -0.253
  374    H    VAL  51           H        VAL  51   1.163   1.031   2.052
  375    HA   VAL  51           HA       VAL  51   2.251   3.031   0.211
  376    HB   VAL  51           HB       VAL  51   1.908   3.109   3.221
  377   1HG1  VAL  51          1HG1      VAL  51   3.762   4.537   2.521
  378   2HG1  VAL  51          2HG1      VAL  51   2.387   5.513   3.036
  379   3HG1  VAL  51          3HG1      VAL  51   2.729   5.313   1.318
  380   1HG2  VAL  51          1HG2      VAL  51   0.072   4.674   2.752
  381   2HG2  VAL  51          2HG2      VAL  51  -0.225   3.091   2.036
  382   3HG2  VAL  51          3HG2      VAL  51   0.309   4.434   1.022
  383    H    LEU  52           H        LEU  52   4.357   3.087  -0.290
  384    HA   LEU  52           HA       LEU  52   6.320   1.489   1.096
  385   1HB   LEU  52          2HB       LEU  52   6.493   1.734  -1.299
  386   2HB   LEU  52          1HB       LEU  52   6.551   3.481  -1.167
  387    HG   LEU  52           HG       LEU  52   8.749   3.341  -0.072
  388   1HD1  LEU  52          1HD1      LEU  52   8.492   0.365  -0.535
  389   2HD1  LEU  52          2HD1      LEU  52   8.523   1.185   1.027
  390   3HD1  LEU  52          3HD1      LEU  52   9.954   1.197  -0.004
  391   1HD2  LEU  52          1HD2      LEU  52   8.599   1.826  -2.685
  392   2HD2  LEU  52          2HD2      LEU  52  10.037   2.612  -2.023
  393   3HD2  LEU  52          3HD2      LEU  52   8.641   3.580  -2.497
  394    H    LYS  53           H        LYS  53   7.404   2.106   2.868
  395    HA   LYS  53           HA       LYS  53   7.132   4.685   3.987
  396   1HB   LYS  53          2HB       LYS  53   7.508   2.657   5.342
  397   2HB   LYS  53          1HB       LYS  53   9.156   2.555   4.725
  398   1HG   LYS  53          2HG       LYS  53   9.806   4.535   5.830
  399   2HG   LYS  53          1HG       LYS  53   8.138   4.993   6.160
  400   1HD   LYS  53          2HD       LYS  53   7.979   2.947   7.632
  401   2HD   LYS  53          1HD       LYS  53   9.729   2.772   7.442
  402   1HE   LYS  53          2HE       LYS  53   9.113   3.990   9.509
  403   2HE   LYS  53          1HE       LYS  53  10.091   4.965   8.411
  404   1HZ   LYS  53          1HZ       LYS  53   8.304   6.292   9.241
  405   2HZ   LYS  53          2HZ       LYS  53   7.152   5.135   8.805
  406   3HZ   LYS  53          3HZ       LYS  53   7.992   5.982   7.608
  407    H    GLY  54           H        GLY  54   8.641   6.359   4.320
  408   1HA   GLY  54          2HA       GLY  54  10.505   7.667   3.814
  409   2HA   GLY  54          1HA       GLY  54  11.136   6.360   2.827
  410    H    SER  55           H        SER  55   7.886   7.242   2.229
  411    HA   SER  55           HA       SER  55   8.677   8.755  -0.187
  412   1HB   SER  55          2HB       SER  55   6.261   6.946   0.144
  413   2HB   SER  55          1HB       SER  55   6.735   7.791  -1.329
  414    HG   SER  55           HG       SER  55   7.672   5.449  -0.259
  415    H    LYS  56           H        LYS  56   6.716  10.079  -1.056
  416    HA   LYS  56           HA       LYS  56   6.133  12.099   0.771
  417   1HB   LYS  56          2HB       LYS  56   4.547  12.960  -0.893
  418   2HB   LYS  56          1HB       LYS  56   6.055  12.452  -1.638
  419   1HG   LYS  56          2HG       LYS  56   5.025  10.407  -2.435
  420   2HG   LYS  56          1HG       LYS  56   3.525  10.806  -1.595
  421   1HD   LYS  56          2HD       LYS  56   3.318  11.326  -3.954
  422   2HD   LYS  56          1HD       LYS  56   3.292  12.814  -3.007
  423   1HE   LYS  56          2HE       LYS  56   5.693  13.140  -3.524
  424   2HE   LYS  56          1HE       LYS  56   5.642  11.695  -4.539
  425   1HZ   LYS  56          1HZ       LYS  56   3.971  12.783  -5.916
  426   2HZ   LYS  56          2HZ       LYS  56   5.396  13.688  -5.860
  427   3HZ   LYS  56          3HZ       LYS  56   4.055  14.169  -4.952
  428    H    ALA  57           H        ALA  57   4.324   9.177   0.088
  429    HA   ALA  57           HA       ALA  57   1.925   9.984   1.436
  430   1HB   ALA  57          1HB       ALA  57   1.929   8.290  -0.343
  431   2HB   ALA  57          2HB       ALA  57   1.208   7.683   1.147
  432   3HB   ALA  57          3HB       ALA  57   2.849   7.207   0.703
  433    H    ASP  58           H        ASP  58   4.919   8.499   2.447
  434    HA   ASP  58           HA       ASP  58   3.905   7.509   4.955
  435   1HB   ASP  58          2HB       ASP  58   5.804   6.407   3.862
  436   2HB   ASP  58          1HB       ASP  58   6.751   7.887   3.970
  437    H    ALA  59           H        ALA  59   2.884   9.617   5.471
  438    HA   ALA  59           HA       ALA  59   4.589  11.132   7.275
  439   1HB   ALA  59          1HB       ALA  59   4.060  13.311   6.331
  440   2HB   ALA  59          2HB       ALA  59   3.127  12.546   5.046
  441   3HB   ALA  59          3HB       ALA  59   4.871  12.302   5.134
  442    H    LEU  60           H        LEU  60   1.453  10.060   6.312
  443    HA   LEU  60           HA       LEU  60  -0.192  11.829   7.732
  444   1HB   LEU  60          2HB       LEU  60  -0.591   8.937   6.967
  445   2HB   LEU  60          1HB       LEU  60  -1.834   9.883   7.759
  446    HG   LEU  60           HG       LEU  60  -1.770  11.478   5.820
  447   1HD1  LEU  60          1HD1      LEU  60  -0.049   9.357   4.548
  448   2HD1  LEU  60          2HD1      LEU  60   0.460  10.988   4.986
  449   3HD1  LEU  60          3HD1      LEU  60  -0.751  10.752   3.730
  450   1HD2  LEU  60          1HD2      LEU  60  -2.455   8.607   5.187
  451   2HD2  LEU  60          2HD2      LEU  60  -3.023  10.018   4.296
  452   3HD2  LEU  60          3HD2      LEU  60  -3.502   9.788   5.979
  453    H    GLU  61           H        GLU  61   0.371   8.451   8.788
  454    HA   GLU  61           HA       GLU  61   0.004   9.319  11.563
  455   1HB   GLU  61          2HB       GLU  61   0.132   6.524  10.403
  456   2HB   GLU  61          1HB       GLU  61  -0.285   6.931  12.062
  457   1HG   GLU  61          2HG       GLU  61  -1.866   7.744   9.623
  458   2HG   GLU  61          1HG       GLU  61  -2.246   6.378  10.666
  459    H    HIS  62           H        HIS  62   1.770   9.756  12.752
  460    HA   HIS  62           HA       HIS  62   3.959   7.951  12.960
  461   1HB   HIS  62          2HB       HIS  62   5.761   9.374  12.102
  462   2HB   HIS  62          1HB       HIS  62   4.616   8.991  10.821
  463    HD1  HIS  62           HD1      HIS  62   6.610  11.641  11.599
  464    HD2  HIS  62           HD2      HIS  62   2.498  11.388  11.056
  465    HE1  HIS  62           HE1      HIS  62   5.868  13.963  11.016
  466    HE2  HIS  62           HE2      HIS  62   3.423  13.732  10.469
  467    H    HIS  63           H        HIS  63   4.899   8.168  14.912
  468    HA   HIS  63           HA       HIS  63   4.946  10.789  16.227
  469   1HB   HIS  63          2HB       HIS  63   4.346   9.621  18.422
  470   2HB   HIS  63          1HB       HIS  63   3.038   9.892  17.284
  471    HD1  HIS  63           HD1      HIS  63   1.555   7.928  16.984
  472    HD2  HIS  63           HD2      HIS  63   5.384   6.803  18.146
  473    HE1  HIS  63           HE1      HIS  63   1.461   5.442  17.297
  474    HE2  HIS  63           HE2      HIS  63   3.718   4.826  18.212
  475    H    HIS  64           H        HIS  64   6.224  10.351  18.510
  476    HA   HIS  64           HA       HIS  64   8.873  10.187  17.766
  477   1HB   HIS  64          2HB       HIS  64   7.719   9.644  20.510
  478   2HB   HIS  64          1HB       HIS  64   9.410  10.004  20.174
  479    HD1  HIS  64           HD1      HIS  64   6.879  11.667  21.679
  480    HD2  HIS  64           HD2      HIS  64   9.135  12.634  18.326
  481    HE1  HIS  64           HE1      HIS  64   6.694  14.155  21.440
  482    HE2  HIS  64           HE2      HIS  64   7.902  14.685  19.299
  483    H    HIS  65           H        HIS  65   9.812   8.551  16.801
  484    HA   HIS  65           HA       HIS  65  10.799   6.562  16.424
  485   1HB   HIS  65          2HB       HIS  65  10.150   5.929  19.314
  486   2HB   HIS  65          1HB       HIS  65  11.338   5.103  18.307
  487    HD1  HIS  65           HD1      HIS  65  11.036   7.757  20.720
  488    HD2  HIS  65           HD2      HIS  65  13.518   6.968  17.483
  489    HE1  HIS  65           HE1      HIS  65  13.043   9.234  21.035
  490    HE2  HIS  65           HE2      HIS  65  14.555   8.709  19.095
  491    H    HIS  66           H        HIS  66   8.602   5.079  18.777
  492    HA   HIS  66           HA       HIS  66   6.867   4.069  16.660
  493   1HB   HIS  66          2HB       HIS  66   8.663   2.277  18.291
  494   2HB   HIS  66          1HB       HIS  66   7.188   1.680  17.543
  495    HD1  HIS  66           HD1      HIS  66   7.105   1.843  14.882
  496    HD2  HIS  66           HD2      HIS  66  10.841   2.368  16.621
  497    HE1  HIS  66           HE1      HIS  66   8.757   1.533  13.022
  498    HE2  HIS  66           HE2      HIS  66  11.011   1.817  14.097
  499    H    HIS  67           H        HIS  67   7.582   4.279  20.114
  500    HA   HIS  67           HA       HIS  67   5.480   2.907  21.241
  501   1HB   HIS  67          2HB       HIS  67   6.690   5.494  22.232
  502   2HB   HIS  67          1HB       HIS  67   5.692   4.414  23.197
  503    HD1  HIS  67           HD1      HIS  67   8.924   5.271  23.309
  504    HD2  HIS  67           HD2      HIS  67   7.187   1.570  22.548
  505    HE1  HIS  67           HE1      HIS  67  10.675   3.574  23.890
  506    HE2  HIS  67           HE2      HIS  67   9.572   1.345  23.530
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1 -18.211  11.087  13.345
    2   2H    MET   1          2H        MET   1 -18.206  10.760  11.685
    3   3H    MET   1          3H        MET   1 -17.496  12.175  12.271
    4    HA   MET   1           HA       MET   1 -15.785  10.962  13.383
    5   1HB   MET   1          2HB       MET   1 -15.632   8.517  13.184
    6   2HB   MET   1          1HB       MET   1 -17.120   8.995  13.990
    7   1HG   MET   1          2HG       MET   1 -18.380   8.620  11.949
    8   2HG   MET   1          1HG       MET   1 -16.897   8.210  11.088
    9   1HE   MET   1          1HE       MET   1 -18.732   5.653  14.470
   10   2HE   MET   1          2HE       MET   1 -19.433   7.159  13.883
   11   3HE   MET   1          3HE       MET   1 -17.919   7.184  14.789
   12    H    THR   2           H        THR   2 -14.067   9.443  12.159
   13    HA   THR   2           HA       THR   2 -13.744  10.455   9.439
   14    HB   THR   2           HB       THR   2 -11.601   9.053   9.530
   15    HG1  THR   2           HG1      THR   2 -11.227   8.786  12.055
   16   1HG2  THR   2          1HG2      THR   2 -11.590  11.473   9.983
   17   2HG2  THR   2          2HG2      THR   2 -10.424  10.626  11.004
   18   3HG2  THR   2          3HG2      THR   2 -11.965  11.157  11.678
   19    H    ILE   3           H        ILE   3 -12.868   8.671   7.810
   20    HA   ILE   3           HA       ILE   3 -14.760   6.563   7.496
   21    HB   ILE   3           HB       ILE   3 -13.240   5.704   5.734
   22   1HG1  ILE   3          2HG1      ILE   3 -11.404   7.969   6.590
   23   2HG1  ILE   3          1HG1      ILE   3 -11.087   6.255   6.844
   24   1HG2  ILE   3          1HG2      ILE   3 -14.840   7.460   5.186
   25   2HG2  ILE   3          2HG2      ILE   3 -13.359   7.663   4.250
   26   3HG2  ILE   3          3HG2      ILE   3 -13.668   8.695   5.647
   27   1HD1  ILE   3          1HD1      ILE   3 -11.324   7.628   4.170
   28   2HD1  ILE   3          2HD1      ILE   3 -10.992   5.915   4.427
   29   3HD1  ILE   3          3HD1      ILE   3  -9.829   7.126   4.958
   30    H    GLN   4           H        GLN   4 -11.784   6.916   9.184
   31    HA   GLN   4           HA       GLN   4 -10.712   5.713  10.743
   32   1HB   GLN   4          2HB       GLN   4 -13.236   4.042  10.769
   33   2HB   GLN   4          1HB       GLN   4 -11.983   4.006  12.002
   34   1HG   GLN   4          2HG       GLN   4 -12.433   6.385  12.484
   35   2HG   GLN   4          1HG       GLN   4 -13.730   6.358  11.297
   36   1HE2  GLN   4          1HE2      GLN   4 -14.546   3.629  12.099
   37   2HE2  GLN   4          2HE2      GLN   4 -15.374   3.827  13.598
   38    H    ALA   5           H        ALA   5 -11.153   4.501   7.753
   39    HA   ALA   5           HA       ALA   5 -10.704   1.752   7.894
   40   1HB   ALA   5          1HB       ALA   5 -10.004   1.914   5.554
   41   2HB   ALA   5          2HB       ALA   5  -9.886   3.668   5.711
   42   3HB   ALA   5          3HB       ALA   5 -11.452   2.872   5.868
   43    HA   PRO   6           HA       PRO   6  -6.335   2.021   9.111
   44   1HB   PRO   6          2HB       PRO   6  -6.271  -0.137  10.656
   45   2HB   PRO   6          1HB       PRO   6  -7.181   1.288  11.172
   46   1HG   PRO   6          2HG       PRO   6  -8.178  -1.277   9.992
   47   2HG   PRO   6          1HG       PRO   6  -8.883  -0.286  11.281
   48   1HD   PRO   6          2HD       PRO   6  -9.626  -0.245   8.565
   49   2HD   PRO   6          1HD       PRO   6 -10.062   0.966   9.784
   50    H    GLU   7           H        GLU   7  -7.310   0.833   6.560
   51    HA   GLU   7           HA       GLU   7  -5.795  -1.660   6.327
   52   1HB   GLU   7          2HB       GLU   7  -6.890  -1.775   4.053
   53   2HB   GLU   7          1HB       GLU   7  -7.992  -1.803   5.423
   54   1HG   GLU   7          2HG       GLU   7  -8.376   0.639   5.081
   55   2HG   GLU   7          1HG       GLU   7  -7.411   0.530   3.610
   56    H    THR   8           H        THR   8  -4.566   1.054   6.515
   57    HA   THR   8           HA       THR   8  -3.104   1.275   3.999
   58    HB   THR   8           HB       THR   8  -2.844   2.823   6.596
   59    HG1  THR   8           HG1      THR   8  -3.781   4.500   5.291
   60   1HG2  THR   8          1HG2      THR   8  -1.423   3.234   3.956
   61   2HG2  THR   8          2HG2      THR   8  -0.676   2.774   5.487
   62   3HG2  THR   8          3HG2      THR   8  -1.401   4.370   5.303
   63    H    LYS   9           H        LYS   9  -1.294   0.131   3.610
   64    HA   LYS   9           HA       LYS   9  -0.023  -1.272   5.878
   65   1HB   LYS   9          2HB       LYS   9  -1.177  -2.692   4.189
   66   2HB   LYS   9          1HB       LYS   9  -0.099  -2.061   2.953
   67   1HG   LYS   9          2HG       LYS   9   0.716  -4.196   3.582
   68   2HG   LYS   9          1HG       LYS   9   1.821  -3.002   4.265
   69   1HD   LYS   9          2HD       LYS   9   0.750  -3.229   6.447
   70   2HD   LYS   9          1HD       LYS   9  -0.419  -4.368   5.771
   71   1HE   LYS   9          2HE       LYS   9   1.477  -5.879   5.200
   72   2HE   LYS   9          1HE       LYS   9   2.564  -4.764   6.027
   73   1HZ   LYS   9          1HZ       LYS   9   1.392  -5.156   8.076
   74   2HZ   LYS   9          2HZ       LYS   9   1.888  -6.636   7.424
   75   3HZ   LYS   9          3HZ       LYS   9   0.273  -6.154   7.295
   76    H    ILE  10           H        ILE  10   1.797  -0.189   6.436
   77    HA   ILE  10           HA       ILE  10   3.403   1.180   4.431
   78    HB   ILE  10           HB       ILE  10   3.856   0.932   7.417
   79   1HG1  ILE  10          2HG1      ILE  10   2.631   3.175   5.778
   80   2HG1  ILE  10          1HG1      ILE  10   1.762   2.109   6.875
   81   1HG2  ILE  10          1HG2      ILE  10   5.929   1.413   6.232
   82   2HG2  ILE  10          2HG2      ILE  10   5.395   2.839   7.122
   83   3HG2  ILE  10          3HG2      ILE  10   5.154   2.747   5.375
   84   1HD1  ILE  10          1HD1      ILE  10   2.152   4.273   7.886
   85   2HD1  ILE  10          2HD1      ILE  10   3.888   4.092   7.655
   86   3HD1  ILE  10          3HD1      ILE  10   3.030   3.018   8.762
   87    H    VAL  11           H        VAL  11   4.546  -0.217   3.190
   88    HA   VAL  11           HA       VAL  11   6.122  -2.348   4.492
   89    HB   VAL  11           HB       VAL  11   6.363  -3.339   2.251
   90   1HG1  VAL  11          1HG1      VAL  11   4.467  -4.020   3.630
   91   2HG1  VAL  11          2HG1      VAL  11   4.034  -4.034   1.923
   92   3HG1  VAL  11          3HG1      VAL  11   3.489  -2.712   2.956
   93   1HG2  VAL  11          1HG2      VAL  11   6.312  -1.286   0.921
   94   2HG2  VAL  11          2HG2      VAL  11   4.608  -1.062   1.315
   95   3HG2  VAL  11          3HG2      VAL  11   5.114  -2.442   0.341
   96    H    ASP  12           H        ASP  12   8.329  -2.757   3.579
   97    HA   ASP  12           HA       ASP  12   9.737  -0.204   3.336
   98   1HB   ASP  12          2HB       ASP  12  10.413  -1.946   5.026
   99   2HB   ASP  12          1HB       ASP  12  10.924  -2.967   3.687
  100    H    LYS  13           H        LYS  13   9.129  -3.117   1.462
  101    HA   LYS  13           HA       LYS  13  10.823  -2.077  -0.717
  102   1HB   LYS  13          2HB       LYS  13   9.802  -4.884  -0.222
  103   2HB   LYS  13          1HB       LYS  13  10.760  -4.395  -1.617
  104   1HG   LYS  13          2HG       LYS  13  12.606  -3.775  -0.127
  105   2HG   LYS  13          1HG       LYS  13  11.647  -4.283   1.265
  106   1HD   LYS  13          2HD       LYS  13  11.575  -6.573   0.364
  107   2HD   LYS  13          1HD       LYS  13  12.557  -6.057  -1.012
  108   1HE   LYS  13          2HE       LYS  13  13.404  -5.959   1.888
  109   2HE   LYS  13          1HE       LYS  13  13.904  -7.178   0.716
  110   1HZ   LYS  13          1HZ       LYS  13  15.041  -5.517  -0.549
  111   2HZ   LYS  13          2HZ       LYS  13  15.546  -5.385   1.059
  112   3HZ   LYS  13          3HZ       LYS  13  14.441  -4.273   0.428
  113    H    SER  14           H        SER  14  10.023  -1.847  -2.800
  114    HA   SER  14           HA       SER  14   7.346  -0.982  -2.999
  115   1HB   SER  14          2HB       SER  14   9.053  -0.028  -4.429
  116   2HB   SER  14          1HB       SER  14   9.346  -1.585  -5.192
  117    HG   SER  14           HG       SER  14   7.484   0.289  -5.768
  118    H    ARG  15           H        ARG  15   8.838  -4.048  -3.994
  119    HA   ARG  15           HA       ARG  15   6.493  -4.990  -5.347
  120   1HB   ARG  15          2HB       ARG  15   9.123  -6.176  -4.603
  121   2HB   ARG  15          1HB       ARG  15   7.797  -7.290  -4.911
  122   1HG   ARG  15          2HG       ARG  15   7.486  -6.302  -7.133
  123   2HG   ARG  15          1HG       ARG  15   8.827  -5.197  -6.827
  124   1HD   ARG  15          2HD       ARG  15  10.375  -7.035  -6.672
  125   2HD   ARG  15          1HD       ARG  15   9.062  -8.204  -6.783
  126    HE   ARG  15           HE       ARG  15   8.857  -7.730  -9.071
  127   1HH1  ARG  15          1HH1      ARG  15  11.373  -5.878  -7.608
  128   2HH1  ARG  15          2HH1      ARG  15  12.119  -5.508  -9.122
  129   1HH2  ARG  15          1HH2      ARG  15   9.846  -7.270 -11.001
  130   2HH2  ARG  15          2HH2      ARG  15  11.265  -6.283 -11.019
  131    H    VAL  16           H        VAL  16   4.670  -5.196  -4.209
  132    HA   VAL  16           HA       VAL  16   4.722  -6.573  -1.609
  133    HB   VAL  16           HB       VAL  16   2.413  -5.136  -2.950
  134   1HG1  VAL  16          1HG1      VAL  16   2.726  -6.171  -0.129
  135   2HG1  VAL  16          2HG1      VAL  16   1.687  -6.860  -1.380
  136   3HG1  VAL  16          3HG1      VAL  16   1.355  -5.249  -0.742
  137   1HG2  VAL  16          1HG2      VAL  16   2.823  -3.342  -1.306
  138   2HG2  VAL  16          2HG2      VAL  16   4.179  -3.552  -2.416
  139   3HG2  VAL  16          3HG2      VAL  16   4.279  -4.180  -0.768
  140    H    ALA  17           H        ALA  17   4.669  -8.742  -1.891
  141    HA   ALA  17           HA       ALA  17   3.199  -9.993  -4.042
  142   1HB   ALA  17          1HB       ALA  17   5.332 -10.918  -3.261
  143   2HB   ALA  17          2HB       ALA  17   4.025 -12.092  -3.109
  144   3HB   ALA  17          3HB       ALA  17   4.618 -11.239  -1.682
  145    H    CYS  18           H        CYS  18   1.013  -9.807  -3.837
  146    HA   CYS  18           HA       CYS  18  -0.243 -10.331  -1.236
  147   1HB   CYS  18          2HB       CYS  18  -0.964  -8.323  -2.427
  148   2HB   CYS  18          1HB       CYS  18  -1.428  -9.291  -3.822
  149    HG   CYS  18           HG       CYS  18  -3.041  -8.853  -0.885
  150    H    ASP  19           H        ASP  19  -0.395 -12.509  -0.910
  151    HA   ASP  19           HA       ASP  19  -1.369 -14.349  -2.896
  152   1HB   ASP  19          2HB       ASP  19  -1.116 -14.628   0.117
  153   2HB   ASP  19          1HB       ASP  19  -1.486 -15.946  -0.994
  154    H    GLY  20           H        GLY  20  -2.766 -13.205   0.197
  155   1HA   GLY  20          2HA       GLY  20  -5.161 -12.228  -0.671
  156   2HA   GLY  20          1HA       GLY  20  -5.436 -13.962  -0.574
  157    H    GLY  21           H        GLY  21  -6.989 -12.402   0.943
  158   1HA   GLY  21          2HA       GLY  21  -5.891 -12.626   3.683
  159   2HA   GLY  21          1HA       GLY  21  -7.273 -11.643   3.222
  160    H    GLU  22           H        GLU  22  -9.266 -12.696   2.724
  161    HA   GLU  22           HA       GLU  22  -9.576 -15.376   3.889
  162   1HB   GLU  22          2HB       GLU  22 -11.623 -13.302   3.057
  163   2HB   GLU  22          1HB       GLU  22 -12.021 -14.877   3.731
  164   1HG   GLU  22          2HG       GLU  22 -10.433 -12.735   5.139
  165   2HG   GLU  22          1HG       GLU  22 -12.147 -13.062   5.386
  166    H    GLY  23           H        GLY  23 -11.206 -16.816   2.693
  167   1HA   GLY  23          2HA       GLY  23 -10.312 -17.699   0.280
  168   2HA   GLY  23          1HA       GLY  23 -11.972 -17.895   0.803
  169    H    ALA  24           H        ALA  24 -12.952 -15.311   0.647
  170    HA   ALA  24           HA       ALA  24 -13.523 -15.037  -2.099
  171   1HB   ALA  24          1HB       ALA  24 -13.928 -12.986   0.077
  172   2HB   ALA  24          2HB       ALA  24 -15.029 -14.316  -0.294
  173   3HB   ALA  24          3HB       ALA  24 -14.752 -13.040  -1.481
  174    H    LEU  25           H        LEU  25 -10.960 -13.671  -0.200
  175    HA   LEU  25           HA       LEU  25 -10.241 -11.804  -2.368
  176   1HB   LEU  25          2HB       LEU  25  -9.342 -11.882   0.517
  177   2HB   LEU  25          1HB       LEU  25  -8.763 -10.737  -0.677
  178    HG   LEU  25           HG       LEU  25 -11.604 -10.957   0.337
  179   1HD1  LEU  25          1HD1      LEU  25 -10.120  -9.996   1.991
  180   2HD1  LEU  25          2HD1      LEU  25 -11.159  -8.740   1.317
  181   3HD1  LEU  25          3HD1      LEU  25  -9.477  -8.866   0.799
  182   1HD2  LEU  25          1HD2      LEU  25 -10.408  -8.966  -1.599
  183   2HD2  LEU  25          2HD2      LEU  25 -12.062  -8.971  -0.988
  184   3HD2  LEU  25          3HD2      LEU  25 -11.505 -10.278  -2.030
  185    H    GLY  26           H        GLY  26  -9.677 -14.836  -1.990
  186   1HA   GLY  26          2HA       GLY  26  -6.770 -14.910  -1.888
  187   2HA   GLY  26          1HA       GLY  26  -7.844 -16.281  -2.117
  188    H    HIS  27           H        HIS  27  -5.370 -15.138  -3.575
  189    HA   HIS  27           HA       HIS  27  -6.283 -15.829  -6.236
  190   1HB   HIS  27          2HB       HIS  27  -5.040 -13.646  -7.093
  191   2HB   HIS  27          1HB       HIS  27  -6.741 -13.605  -6.642
  192    HD1  HIS  27           HD1      HIS  27  -7.371 -11.829  -5.051
  193    HD2  HIS  27           HD2      HIS  27  -3.321 -12.729  -4.822
  194    HE1  HIS  27           HE1      HIS  27  -6.408 -10.190  -3.411
  195    HE2  HIS  27           HE2      HIS  27  -4.007 -10.875  -3.157
  196    HA   PRO  28           HA       PRO  28  -2.524 -17.945  -6.888
  197   1HB   PRO  28          2HB       PRO  28  -2.001 -15.988  -9.106
  198   2HB   PRO  28          1HB       PRO  28  -1.806 -17.747  -9.095
  199   1HG   PRO  28          2HG       PRO  28  -3.961 -16.639 -10.196
  200   2HG   PRO  28          1HG       PRO  28  -4.091 -18.140  -9.258
  201   1HD   PRO  28          2HD       PRO  28  -4.967 -15.387  -8.551
  202   2HD   PRO  28          1HD       PRO  28  -5.590 -16.952  -7.988
  203    H    ARG  29           H        ARG  29  -1.570 -14.610  -7.801
  204    HA   ARG  29           HA       ARG  29  -0.073 -14.013  -5.598
  205   1HB   ARG  29          2HB       ARG  29   1.222 -15.891  -7.327
  206   2HB   ARG  29          1HB       ARG  29   2.096 -14.372  -7.384
  207   1HG   ARG  29          2HG       ARG  29   1.464 -16.044  -4.971
  208   2HG   ARG  29          1HG       ARG  29   3.034 -15.681  -5.668
  209   1HD   ARG  29          2HD       ARG  29   2.829 -13.366  -5.075
  210   2HD   ARG  29          1HD       ARG  29   1.202 -13.627  -4.481
  211    HE   ARG  29           HE       ARG  29   2.055 -14.376  -2.537
  212   1HH1  ARG  29          1HH1      ARG  29   4.598 -14.623  -4.860
  213   2HH1  ARG  29          2HH1      ARG  29   5.750 -15.114  -3.670
  214   1HH2  ARG  29          1HH2      ARG  29   3.534 -14.983  -1.059
  215   2HH2  ARG  29          2HH2      ARG  29   5.162 -15.302  -1.547
  216    H    VAL  30           H        VAL  30  -0.934 -12.116  -5.932
  217    HA   VAL  30           HA       VAL  30  -0.420 -10.589  -8.381
  218    HB   VAL  30           HB       VAL  30  -2.062  -9.781  -5.963
  219   1HG1  VAL  30          1HG1      VAL  30  -1.235  -7.851  -7.215
  220   2HG1  VAL  30          2HG1      VAL  30  -2.975  -8.034  -7.441
  221   3HG1  VAL  30          3HG1      VAL  30  -1.865  -8.537  -8.716
  222   1HG2  VAL  30          1HG2      VAL  30  -4.022 -10.292  -7.351
  223   2HG2  VAL  30          2HG2      VAL  30  -3.025 -11.725  -7.096
  224   3HG2  VAL  30          3HG2      VAL  30  -2.960 -10.868  -8.638
  225    H    TRP  31           H        TRP  31   1.584  -9.751  -8.416
  226    HA   TRP  31           HA       TRP  31   2.772  -8.581  -6.020
  227   1HB   TRP  31          2HB       TRP  31   3.865  -9.078  -8.799
  228   2HB   TRP  31          1HB       TRP  31   4.777  -8.270  -7.531
  229    HD1  TRP  31           HD       TRP  31   3.069 -11.702  -8.137
  230    HE1  TRP  31           HE1      TRP  31   4.435 -13.488  -6.890
  231    HE3  TRP  31           HE3      TRP  31   6.483  -8.663  -5.852
  232    HZ2  TRP  31           HZ2      TRP  31   6.664 -13.598  -5.165
  233    HZ3  TRP  31           HZ3      TRP  31   8.204  -9.691  -4.420
  234    HH2  TRP  31           HH       TRP  31   8.290 -12.105  -4.087
  235    H    LEU  32           H        LEU  32   2.196  -6.535  -5.562
  236    HA   LEU  32           HA       LEU  32   1.613  -4.644  -7.713
  237   1HB   LEU  32          2HB       LEU  32   1.431  -4.343  -4.707
  238   2HB   LEU  32          1HB       LEU  32   1.009  -3.089  -5.857
  239    HG   LEU  32           HG       LEU  32  -0.699  -4.766  -6.802
  240   1HD1  LEU  32          1HD1      LEU  32   0.155  -6.770  -5.707
  241   2HD1  LEU  32          2HD1      LEU  32  -1.518  -6.455  -5.243
  242   3HD1  LEU  32          3HD1      LEU  32  -0.205  -6.072  -4.127
  243   1HD2  LEU  32          1HD2      LEU  32  -2.367  -4.145  -5.108
  244   2HD2  LEU  32          2HD2      LEU  32  -1.343  -2.783  -5.557
  245   3HD2  LEU  32          3HD2      LEU  32  -1.070  -3.623  -4.032
  246    H    GLN  33           H        GLN  33   2.933  -3.035  -8.352
  247    HA   GLN  33           HA       GLN  33   5.527  -2.704  -6.960
  248   1HB   GLN  33          2HB       GLN  33   5.392  -3.336  -9.442
  249   2HB   GLN  33          1HB       GLN  33   4.776  -1.715  -9.724
  250   1HG   GLN  33          2HG       GLN  33   7.045  -1.545 -10.194
  251   2HG   GLN  33          1HG       GLN  33   6.911  -0.894  -8.562
  252   1HE2  GLN  33          1HE2      GLN  33   7.754  -2.106  -6.837
  253   2HE2  GLN  33          2HE2      GLN  33   8.862  -3.406  -7.092
  254    H    ILE  34           H        ILE  34   5.377  -1.088  -5.487
  255    HA   ILE  34           HA       ILE  34   3.540   1.054  -5.589
  256    HB   ILE  34           HB       ILE  34   6.121   0.851  -4.020
  257   1HG1  ILE  34          2HG1      ILE  34   3.250   0.307  -3.194
  258   2HG1  ILE  34          1HG1      ILE  34   4.460  -0.926  -3.526
  259   1HG2  ILE  34          1HG2      ILE  34   5.145   2.600  -2.574
  260   2HG2  ILE  34          2HG2      ILE  34   3.798   2.760  -3.699
  261   3HG2  ILE  34          3HG2      ILE  34   5.434   3.175  -4.213
  262   1HD1  ILE  34          1HD1      ILE  34   4.153  -0.581  -1.140
  263   2HD1  ILE  34          2HD1      ILE  34   4.594   1.117  -1.316
  264   3HD1  ILE  34          3HD1      ILE  34   5.785  -0.143  -1.640
  265    HA   PRO  35           HA       PRO  35   5.873   3.540  -8.546
  266   1HB   PRO  35          2HB       PRO  35   3.957   5.334  -9.085
  267   2HB   PRO  35          1HB       PRO  35   3.838   3.664  -9.654
  268   1HG   PRO  35          2HG       PRO  35   2.536   4.952  -7.279
  269   2HG   PRO  35          1HG       PRO  35   1.822   3.869  -8.484
  270   1HD   PRO  35          2HD       PRO  35   2.690   3.038  -6.018
  271   2HD   PRO  35          1HD       PRO  35   2.631   1.981  -7.443
  272    H    GLU  36           H        GLU  36   7.359   5.040  -8.036
  273    HA   GLU  36           HA       GLU  36   7.414   6.492  -5.621
  274   1HB   GLU  36          2HB       GLU  36   9.311   7.730  -6.667
  275   2HB   GLU  36          1HB       GLU  36   9.459   5.980  -6.776
  276   1HG   GLU  36          2HG       GLU  36   8.686   6.052  -9.099
  277   2HG   GLU  36          1HG       GLU  36   8.530   7.805  -8.993
  278    H    ASP  37           H        ASP  37   5.932   7.191  -8.645
  279    HA   ASP  37           HA       ASP  37   5.716   9.993  -8.520
  280   1HB   ASP  37          2HB       ASP  37   5.292   8.710 -10.559
  281   2HB   ASP  37          1HB       ASP  37   3.902   7.937  -9.810
  282    H    THR  38           H        THR  38   3.761   7.441  -7.056
  283    HA   THR  38           HA       THR  38   1.918   9.465  -5.930
  284    HB   THR  38           HB       THR  38   0.347   7.678  -5.485
  285    HG1  THR  38           HG1      THR  38   0.863   5.517  -5.898
  286   1HG2  THR  38          1HG2      THR  38  -0.135   6.889  -7.743
  287   2HG2  THR  38          2HG2      THR  38   1.496   7.313  -8.259
  288   3HG2  THR  38          3HG2      THR  38   0.367   8.580  -7.782
  289    H    GLY  39           H        GLY  39   3.678   6.505  -4.983
  290   1HA   GLY  39          2HA       GLY  39   4.987   6.407  -2.951
  291   2HA   GLY  39          1HA       GLY  39   3.887   7.572  -2.228
  292    H    TRP  40           H        TRP  40   2.023   5.468  -3.937
  293    HA   TRP  40           HA       TRP  40   1.851   3.323  -1.995
  294   1HB   TRP  40          2HB       TRP  40  -0.531   3.799  -1.424
  295   2HB   TRP  40          1HB       TRP  40   0.575   5.032  -0.825
  296    HD1  TRP  40           HD       TRP  40   0.289   7.485  -1.748
  297    HE1  TRP  40           HE1      TRP  40  -1.486   8.633  -3.211
  298    HE3  TRP  40           HE3      TRP  40  -2.177   3.337  -3.454
  299    HZ2  TRP  40           HZ2      TRP  40  -3.629   7.889  -4.882
  300    HZ3  TRP  40           HZ3      TRP  40  -4.079   3.644  -4.985
  301    HH2  TRP  40           HH       TRP  40  -4.791   5.877  -5.683
  302    H    VAL  41           H        VAL  41   0.260   1.670  -2.607
  303    HA   VAL  41           HA       VAL  41  -1.150   1.990  -5.131
  304    HB   VAL  41           HB       VAL  41   1.038   1.088  -5.851
  305   1HG1  VAL  41          1HG1      VAL  41   1.790  -1.122  -5.200
  306   2HG1  VAL  41          2HG1      VAL  41   0.383  -1.325  -4.156
  307   3HG1  VAL  41          3HG1      VAL  41   1.596  -0.112  -3.766
  308   1HG2  VAL  41          1HG2      VAL  41  -1.221  -0.908  -6.089
  309   2HG2  VAL  41          2HG2      VAL  41   0.193  -0.821  -7.140
  310   3HG2  VAL  41          3HG2      VAL  41  -0.973   0.504  -7.116
  311    H    GLU  42           H        GLU  42  -3.137   1.059  -4.969
  312    HA   GLU  42           HA       GLU  42  -3.616  -0.710  -2.668
  313   1HB   GLU  42          2HB       GLU  42  -5.994  -0.122  -2.922
  314   2HB   GLU  42          1HB       GLU  42  -4.980   1.295  -2.691
  315   1HG   GLU  42          2HG       GLU  42  -5.066   1.731  -5.109
  316   2HG   GLU  42          1HG       GLU  42  -6.127   0.337  -5.311
  317    H    CYS  43           H        CYS  43  -4.875  -2.614  -2.883
  318    HA   CYS  43           HA       CYS  43  -4.500  -3.909  -5.494
  319   1HB   CYS  43          2HB       CYS  43  -3.569  -5.005  -3.476
  320   2HB   CYS  43          1HB       CYS  43  -5.194  -5.137  -2.817
  321    HG   CYS  43           HG       CYS  43  -3.633  -7.125  -4.949
  322    HA   PRO  44           HA       PRO  44  -8.999  -3.294  -6.081
  323   1HB   PRO  44          2HB       PRO  44  -8.312  -4.770  -8.582
  324   2HB   PRO  44          1HB       PRO  44  -9.221  -3.269  -8.374
  325   1HG   PRO  44          2HG       PRO  44  -6.731  -3.209  -9.309
  326   2HG   PRO  44          1HG       PRO  44  -7.297  -1.976  -8.166
  327   1HD   PRO  44          2HD       PRO  44  -5.562  -4.370  -7.665
  328   2HD   PRO  44          1HD       PRO  44  -5.424  -2.719  -7.018
  329    H    TYR  45           H        TYR  45  -7.095  -6.156  -5.899
  330    HA   TYR  45           HA       TYR  45  -9.465  -7.908  -5.925
  331   1HB   TYR  45          2HB       TYR  45  -6.563  -8.763  -5.926
  332   2HB   TYR  45          1HB       TYR  45  -7.972  -9.737  -6.334
  333    HD1  TYR  45           HD2      TYR  45  -9.357  -8.940  -8.407
  334    HD2  TYR  45           HD1      TYR  45  -5.350  -7.725  -7.627
  335    HE1  TYR  45           HE2      TYR  45  -9.087  -8.323 -10.769
  336    HE2  TYR  45           HE1      TYR  45  -5.074  -7.105  -9.989
  337    HH   TYR  45           HH       TYR  45  -7.666  -6.793 -12.122
  338    H    CYS  46           H        CYS  46  -7.692  -6.227  -3.706
  339    HA   CYS  46           HA       CYS  46  -8.465  -8.063  -1.543
  340   1HB   CYS  46          2HB       CYS  46  -6.097  -8.551  -2.049
  341   2HB   CYS  46          1HB       CYS  46  -5.695  -6.863  -1.762
  342    HG   CYS  46           HG       CYS  46  -6.856  -7.210   0.976
  343    H    ASP  47           H        ASP  47  -8.510  -5.007  -2.753
  344    HA   ASP  47           HA       ASP  47  -9.325  -3.043  -2.033
  345   1HB   ASP  47          2HB       ASP  47  -9.798  -4.469   0.587
  346   2HB   ASP  47          1HB       ASP  47 -10.435  -2.882   0.165
  347    H    CYS  48           H        CYS  48  -6.999  -4.499   0.220
  348    HA   CYS  48           HA       CYS  48  -6.463  -2.238   1.769
  349   1HB   CYS  48          2HB       CYS  48  -4.645  -4.572   1.132
  350   2HB   CYS  48          1HB       CYS  48  -4.366  -3.399   2.417
  351    HG   CYS  48           HG       CYS  48  -5.386  -5.110   4.064
  352    H    LYS  49           H        LYS  49  -4.846  -0.687   1.782
  353    HA   LYS  49           HA       LYS  49  -3.666  -0.092  -0.858
  354   1HB   LYS  49          2HB       LYS  49  -5.331   1.522   0.171
  355   2HB   LYS  49          1HB       LYS  49  -4.141   1.839   1.424
  356   1HG   LYS  49          2HG       LYS  49  -2.554   2.573  -0.360
  357   2HG   LYS  49          1HG       LYS  49  -3.866   2.392  -1.526
  358   1HD   LYS  49          2HD       LYS  49  -3.763   4.284   0.829
  359   2HD   LYS  49          1HD       LYS  49  -3.715   4.714  -0.881
  360   1HE   LYS  49          2HE       LYS  49  -6.047   3.451   0.574
  361   2HE   LYS  49          1HE       LYS  49  -5.928   5.137   0.081
  362   1HZ   LYS  49          1HZ       LYS  49  -5.982   2.799  -1.748
  363   2HZ   LYS  49          2HZ       LYS  49  -5.876   4.417  -2.228
  364   3HZ   LYS  49          3HZ       LYS  49  -7.267   3.853  -1.455
  365    H    TYR  50           H        TYR  50  -1.484  -0.187  -1.061
  366    HA   TYR  50           HA       TYR  50   0.082  -0.617   1.389
  367   1HB   TYR  50          2HB       TYR  50   0.867  -1.206  -1.474
  368   2HB   TYR  50          1HB       TYR  50   1.708  -1.730  -0.020
  369    HD1  TYR  50           HD2      TYR  50   0.566  -3.403   1.511
  370    HD2  TYR  50           HD1      TYR  50  -0.932  -2.466  -2.363
  371    HE1  TYR  50           HE2      TYR  50  -0.768  -5.471   1.530
  372    HE2  TYR  50           HE1      TYR  50  -2.263  -4.529  -2.353
  373    HH   TYR  50           HH       TYR  50  -2.304  -6.693  -1.276
  374    H    VAL  51           H        VAL  51   1.129   1.109   2.148
  375    HA   VAL  51           HA       VAL  51   2.158   3.164   0.310
  376    HB   VAL  51           HB       VAL  51   1.873   3.178   3.329
  377   1HG1  VAL  51          1HG1      VAL  51   3.800   4.517   2.685
  378   2HG1  VAL  51          2HG1      VAL  51   2.480   5.561   3.210
  379   3HG1  VAL  51          3HG1      VAL  51   2.830   5.379   1.489
  380   1HG2  VAL  51          1HG2      VAL  51   0.131   4.860   2.914
  381   2HG2  VAL  51          2HG2      VAL  51  -0.259   3.321   2.146
  382   3HG2  VAL  51          3HG2      VAL  51   0.355   4.663   1.177
  383    H    LEU  52           H        LEU  52   4.342   3.757   0.242
  384    HA   LEU  52           HA       LEU  52   6.217   1.713   1.185
  385   1HB   LEU  52          2HB       LEU  52   6.268   2.417  -1.175
  386   2HB   LEU  52          1HB       LEU  52   6.642   4.053  -0.676
  387    HG   LEU  52           HG       LEU  52   8.780   3.248   0.297
  388   1HD1  LEU  52          1HD1      LEU  52   7.999   0.612  -0.949
  389   2HD1  LEU  52          2HD1      LEU  52   8.171   0.954   0.773
  390   3HD1  LEU  52          3HD1      LEU  52   9.585   1.005  -0.278
  391   1HD2  LEU  52          1HD2      LEU  52   8.419   2.527  -2.617
  392   2HD2  LEU  52          2HD2      LEU  52   9.939   2.926  -1.813
  393   3HD2  LEU  52          3HD2      LEU  52   8.686   4.156  -1.992
  394    H    LYS  53           H        LYS  53   7.490   1.994   2.909
  395    HA   LYS  53           HA       LYS  53   7.439   4.264   4.570
  396   1HB   LYS  53          2HB       LYS  53   8.066   1.972   5.319
  397   2HB   LYS  53          1HB       LYS  53   9.584   2.127   4.445
  398   1HG   LYS  53          2HG       LYS  53   9.752   4.335   5.958
  399   2HG   LYS  53          1HG       LYS  53   8.721   3.362   7.005
  400   1HD   LYS  53          2HD       LYS  53  10.873   2.851   7.736
  401   2HD   LYS  53          1HD       LYS  53  10.486   1.506   6.664
  402   1HE   LYS  53          2HE       LYS  53  12.112   3.941   5.905
  403   2HE   LYS  53          1HE       LYS  53  12.778   2.365   6.325
  404   1HZ   LYS  53          1HZ       LYS  53  11.535   1.445   4.411
  405   2HZ   LYS  53          2HZ       LYS  53  12.721   2.561   3.969
  406   3HZ   LYS  53          3HZ       LYS  53  11.093   3.018   3.968
  407    H    GLY  54           H        GLY  54   8.451   6.174   4.406
  408   1HA   GLY  54          2HA       GLY  54  10.241   7.641   4.050
  409   2HA   GLY  54          1HA       GLY  54  11.087   6.378   3.172
  410    H    SER  55           H        SER  55   7.925   6.615   2.052
  411    HA   SER  55           HA       SER  55   8.819   8.186  -0.267
  412   1HB   SER  55          2HB       SER  55   7.919   5.935  -0.734
  413   2HB   SER  55          1HB       SER  55   6.393   6.391   0.016
  414    HG   SER  55           HG       SER  55   7.488   7.179  -2.443
  415    H    LYS  56           H        LYS  56   6.522   9.094  -1.343
  416    HA   LYS  56           HA       LYS  56   6.173  11.559  -0.122
  417   1HB   LYS  56          2HB       LYS  56   4.292  10.153  -2.029
  418   2HB   LYS  56          1HB       LYS  56   4.296  11.877  -1.688
  419   1HG   LYS  56          2HG       LYS  56   6.590  10.351  -2.914
  420   2HG   LYS  56          1HG       LYS  56   5.405  11.304  -3.806
  421   1HD   LYS  56          2HD       LYS  56   6.121  13.326  -2.613
  422   2HD   LYS  56          1HD       LYS  56   7.293  12.377  -1.693
  423   1HE   LYS  56          2HE       LYS  56   7.293  12.697  -4.695
  424   2HE   LYS  56          1HE       LYS  56   8.314  13.605  -3.582
  425   1HZ   LYS  56          1HZ       LYS  56   8.337  10.656  -3.906
  426   2HZ   LYS  56          2HZ       LYS  56   9.344  11.548  -2.887
  427   3HZ   LYS  56          3HZ       LYS  56   9.472  11.720  -4.562
  428    H    ALA  57           H        ALA  57   4.255   8.631   0.330
  429    HA   ALA  57           HA       ALA  57   2.241  10.092   1.869
  430   1HB   ALA  57          1HB       ALA  57   1.508   8.459   0.187
  431   2HB   ALA  57          2HB       ALA  57   0.941   8.046   1.805
  432   3HB   ALA  57          3HB       ALA  57   2.305   7.178   1.098
  433    H    ASP  58           H        ASP  58   5.162   9.029   2.727
  434    HA   ASP  58           HA       ASP  58   4.251   7.970   5.333
  435   1HB   ASP  58          2HB       ASP  58   5.481   6.340   3.868
  436   2HB   ASP  58          1HB       ASP  58   6.900   7.378   3.983
  437    H    ALA  59           H        ALA  59   7.410   8.287   5.893
  438    HA   ALA  59           HA       ALA  59   8.662   9.690   7.157
  439   1HB   ALA  59          1HB       ALA  59   8.651  12.075   6.662
  440   2HB   ALA  59          2HB       ALA  59   7.142  11.899   5.766
  441   3HB   ALA  59          3HB       ALA  59   8.614  11.133   5.173
  442    H    LEU  60           H        LEU  60   5.813   8.858   7.926
  443    HA   LEU  60           HA       LEU  60   5.025  10.965   9.777
  444   1HB   LEU  60          2HB       LEU  60   3.121   9.342  10.277
  445   2HB   LEU  60          1HB       LEU  60   3.183  10.053   8.678
  446    HG   LEU  60           HG       LEU  60   4.250   7.912   7.860
  447   1HD1  LEU  60          1HD1      LEU  60   3.972   5.894   9.216
  448   2HD1  LEU  60          2HD1      LEU  60   3.422   6.877  10.571
  449   3HD1  LEU  60          3HD1      LEU  60   5.074   7.041   9.976
  450   1HD2  LEU  60          1HD2      LEU  60   2.149   6.699   7.731
  451   2HD2  LEU  60          2HD2      LEU  60   1.872   8.429   7.523
  452   3HD2  LEU  60          3HD2      LEU  60   1.492   7.654   9.059
  453    H    GLU  61           H        GLU  61   7.417   8.915  10.033
  454    HA   GLU  61           HA       GLU  61   6.907   7.391  12.358
  455   1HB   GLU  61          2HB       GLU  61   8.726   6.859  10.802
  456   2HB   GLU  61          1HB       GLU  61   9.551   8.348  11.237
  457   1HG   GLU  61          2HG       GLU  61   9.756   7.512  13.560
  458   2HG   GLU  61          1HG       GLU  61   9.014   5.998  13.048
  459    H    HIS  62           H        HIS  62   5.948   8.759  13.894
  460    HA   HIS  62           HA       HIS  62   7.638  10.823  15.112
  461   1HB   HIS  62          2HB       HIS  62   4.767  10.040  15.680
  462   2HB   HIS  62          1HB       HIS  62   5.625  11.368  16.455
  463    HD1  HIS  62           HD1      HIS  62   3.834  10.438  13.339
  464    HD2  HIS  62           HD2      HIS  62   6.096  13.615  14.774
  465    HE1  HIS  62           HE1      HIS  62   3.452  12.320  11.727
  466    HE2  HIS  62           HE2      HIS  62   4.955  14.173  12.525
  467    H    HIS  63           H        HIS  63   6.260   7.662  15.764
  468    HA   HIS  63           HA       HIS  63   8.338   6.930  17.499
  469   1HB   HIS  63          2HB       HIS  63   7.078   8.460  19.068
  470   2HB   HIS  63          1HB       HIS  63   5.733   7.326  18.995
  471    HD1  HIS  63           HD1      HIS  63   9.263   7.636  20.260
  472    HD2  HIS  63           HD2      HIS  63   6.027   5.043  20.570
  473    HE1  HIS  63           HE1      HIS  63   9.874   6.012  22.067
  474    HE2  HIS  63           HE2      HIS  63   7.829   4.581  22.366
  475    H    HIS  64           H        HIS  64   4.993   6.354  16.484
  476    HA   HIS  64           HA       HIS  64   4.913   3.576  17.026
  477   1HB   HIS  64          2HB       HIS  64   3.468   5.160  14.882
  478   2HB   HIS  64          1HB       HIS  64   3.112   3.489  15.304
  479    HD1  HIS  64           HD1      HIS  64   1.485   6.413  15.698
  480    HD2  HIS  64           HD2      HIS  64   2.871   3.699  18.515
  481    HE1  HIS  64           HE1      HIS  64   0.087   6.793  17.743
  482    HE2  HIS  64           HE2      HIS  64   0.797   4.993  19.341
  483    H    HIS  65           H        HIS  65   6.799   2.557  16.397
  484    HA   HIS  65           HA       HIS  65   6.988   1.635  13.722
  485   1HB   HIS  65          2HB       HIS  65   7.928   4.019  13.562
  486   2HB   HIS  65          1HB       HIS  65   9.290   3.437  14.511
  487    HD1  HIS  65           HD1      HIS  65   8.014   3.639  11.086
  488    HD2  HIS  65           HD2      HIS  65  10.831   1.375  13.136
  489    HE1  HIS  65           HE1      HIS  65   9.444   2.589   9.320
  490    HE2  HIS  65           HE2      HIS  65  11.046   1.114  10.576
  491    H    HIS  66           H        HIS  66   8.252   1.927  16.938
  492    HA   HIS  66           HA       HIS  66   9.294  -0.788  16.809
  493   1HB   HIS  66          2HB       HIS  66  11.475  -0.159  17.815
  494   2HB   HIS  66          1HB       HIS  66  11.269   0.514  16.202
  495    HD1  HIS  66           HD1      HIS  66  11.992   1.453  19.666
  496    HD2  HIS  66           HD2      HIS  66  10.671   3.364  16.220
  497    HE1  HIS  66           HE1      HIS  66  12.304   3.902  20.093
  498    HE2  HIS  66           HE2      HIS  66  11.677   5.018  17.930
  499    H    HIS  67           H        HIS  67   9.431  -1.814  18.824
  500    HA   HIS  67           HA       HIS  67   9.040  -2.265  21.010
  501   1HB   HIS  67          2HB       HIS  67  10.559  -0.372  21.452
  502   2HB   HIS  67          1HB       HIS  67   9.190   0.734  21.418
  503    HD1  HIS  67           HD1      HIS  67   7.514   0.597  23.436
  504    HD2  HIS  67           HD2      HIS  67  10.918  -1.753  23.837
  505    HE1  HIS  67           HE1      HIS  67   7.605  -0.043  25.861
  506    HE2  HIS  67           HE2      HIS  67   9.750  -1.340  26.107
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -19.437  -6.888   8.271
    2   2H    MET   1          2H        MET   1 -18.089  -7.318   9.192
    3   3H    MET   1          3H        MET   1 -17.880  -6.574   7.691
    4    HA   MET   1           HA       MET   1 -18.870  -4.544   8.494
    5   1HB   MET   1          2HB       MET   1 -20.401  -5.726  10.093
    6   2HB   MET   1          1HB       MET   1 -19.033  -5.967  11.165
    7   1HG   MET   1          2HG       MET   1 -18.804  -3.584  11.484
    8   2HG   MET   1          1HG       MET   1 -20.086  -3.280  10.309
    9   1HE   MET   1          1HE       MET   1 -21.847  -2.265  13.648
   10   2HE   MET   1          2HE       MET   1 -21.421  -1.765  12.014
   11   3HE   MET   1          3HE       MET   1 -20.158  -1.994  13.222
   12    H    THR   2           H        THR   2 -16.777  -3.908   7.894
   13    HA   THR   2           HA       THR   2 -14.589  -4.375   9.832
   14    HB   THR   2           HB       THR   2 -14.202  -3.496   6.964
   15    HG1  THR   2           HG1      THR   2 -13.747  -5.790   6.582
   16   1HG2  THR   2          1HG2      THR   2 -12.381  -4.932   8.910
   17   2HG2  THR   2          2HG2      THR   2 -12.270  -3.236   8.441
   18   3HG2  THR   2          3HG2      THR   2 -11.976  -4.501   7.248
   19    H    ILE   3           H        ILE   3 -16.700  -2.003   9.181
   20    HA   ILE   3           HA       ILE   3 -16.665   0.168   8.539
   21    HB   ILE   3           HB       ILE   3 -15.457   1.649  10.281
   22   1HG1  ILE   3          2HG1      ILE   3 -15.303   0.213  12.503
   23   2HG1  ILE   3          1HG1      ILE   3 -14.932  -1.096  11.392
   24   1HG2  ILE   3          1HG2      ILE   3 -17.654  -0.265  11.048
   25   2HG2  ILE   3          2HG2      ILE   3 -17.836   1.289  10.233
   26   3HG2  ILE   3          3HG2      ILE   3 -17.262   1.230  11.900
   27   1HD1  ILE   3          1HD1      ILE   3 -13.400   1.484  11.638
   28   2HD1  ILE   3          2HD1      ILE   3 -13.011   0.145  10.558
   29   3HD1  ILE   3          3HD1      ILE   3 -12.922  -0.077  12.305
   30    H    GLN   4           H        GLN   4 -15.593  -0.262   6.575
   31    HA   GLN   4           HA       GLN   4 -12.932  -0.362   5.991
   32   1HB   GLN   4          2HB       GLN   4 -15.044   1.040   4.338
   33   2HB   GLN   4          1HB       GLN   4 -13.515   0.412   3.741
   34   1HG   GLN   4          2HG       GLN   4 -14.187  -1.848   4.187
   35   2HG   GLN   4          1HG       GLN   4 -15.648  -1.299   5.005
   36   1HE2  GLN   4          1HE2      GLN   4 -14.114  -1.801   1.929
   37   2HE2  GLN   4          2HE2      GLN   4 -15.535  -1.591   0.970
   38    H    ALA   5           H        ALA   5 -11.388   0.944   6.749
   39    HA   ALA   5           HA       ALA   5 -11.236   3.696   6.026
   40   1HB   ALA   5          1HB       ALA   5 -12.814   3.932   7.879
   41   2HB   ALA   5          2HB       ALA   5 -11.272   4.702   8.253
   42   3HB   ALA   5          3HB       ALA   5 -11.672   3.136   8.963
   43    HA   PRO   6           HA       PRO   6  -7.219   2.561   8.380
   44   1HB   PRO   6          2HB       PRO   6  -6.996   0.354   9.870
   45   2HB   PRO   6          1HB       PRO   6  -7.858   1.774  10.481
   46   1HG   PRO   6          2HG       PRO   6  -8.974  -0.726   9.252
   47   2HG   PRO   6          1HG       PRO   6  -9.494   0.119  10.723
   48   1HD   PRO   6          2HD       PRO   6 -10.717   0.421   8.290
   49   2HD   PRO   6          1HD       PRO   6 -10.708   1.676   9.543
   50    H    GLU   7           H        GLU   7  -8.121   1.550   5.811
   51    HA   GLU   7           HA       GLU   7  -6.864  -1.062   5.467
   52   1HB   GLU   7          2HB       GLU   7  -8.350   0.630   3.448
   53   2HB   GLU   7          1HB       GLU   7  -7.911  -1.067   3.276
   54   1HG   GLU   7          2HG       GLU   7  -9.358  -1.577   5.232
   55   2HG   GLU   7          1HG       GLU   7  -9.878   0.107   5.235
   56    H    THR   8           H        THR   8  -5.212   1.292   5.967
   57    HA   THR   8           HA       THR   8  -3.551   1.209   3.514
   58    HB   THR   8           HB       THR   8  -3.746   3.499   5.496
   59    HG1  THR   8           HG1      THR   8  -5.403   3.922   4.227
   60   1HG2  THR   8          1HG2      THR   8  -2.109   3.230   2.966
   61   2HG2  THR   8          2HG2      THR   8  -1.480   3.294   4.611
   62   3HG2  THR   8          3HG2      THR   8  -2.281   4.703   3.918
   63    H    LYS   9           H        LYS   9  -1.394   0.699   3.749
   64    HA   LYS   9           HA       LYS   9  -0.377   0.165   6.463
   65   1HB   LYS   9          2HB       LYS   9  -0.411  -1.845   4.195
   66   2HB   LYS   9          1HB       LYS   9   0.414  -2.067   5.730
   67   1HG   LYS   9          2HG       LYS   9  -1.698  -2.040   6.915
   68   2HG   LYS   9          1HG       LYS   9  -2.560  -1.687   5.415
   69   1HD   LYS   9          2HD       LYS   9  -2.757  -4.050   5.977
   70   2HD   LYS   9          1HD       LYS   9  -1.821  -3.848   4.498
   71   1HE   LYS   9          2HE       LYS   9   0.259  -4.098   5.791
   72   2HE   LYS   9          1HE       LYS   9  -0.694  -4.330   7.257
   73   1HZ   LYS   9          1HZ       LYS   9  -1.650  -6.314   6.279
   74   2HZ   LYS   9          2HZ       LYS   9   0.031  -6.432   6.323
   75   3HZ   LYS   9          3HZ       LYS   9  -0.755  -6.091   4.864
   76    H    ILE  10           H        ILE  10   1.812   0.479   6.686
   77    HA   ILE  10           HA       ILE  10   3.206   1.567   4.340
   78    HB   ILE  10           HB       ILE  10   3.975   1.735   7.263
   79   1HG1  ILE  10          2HG1      ILE  10   2.729   3.805   5.425
   80   2HG1  ILE  10          1HG1      ILE  10   1.921   2.991   6.760
   81   1HG2  ILE  10          1HG2      ILE  10   5.915   1.852   5.778
   82   2HG2  ILE  10          2HG2      ILE  10   5.606   3.414   6.535
   83   3HG2  ILE  10          3HG2      ILE  10   5.141   3.140   4.857
   84   1HD1  ILE  10          1HD1      ILE  10   3.446   4.056   8.337
   85   2HD1  ILE  10          2HD1      ILE  10   2.577   5.247   7.370
   86   3HD1  ILE  10          3HD1      ILE  10   4.261   4.872   7.000
   87    H    VAL  11           H        VAL  11   4.256   0.036   3.218
   88    HA   VAL  11           HA       VAL  11   5.750  -2.076   4.628
   89    HB   VAL  11           HB       VAL  11   5.333  -1.857   1.639
   90   1HG1  VAL  11          1HG1      VAL  11   7.113  -3.385   2.401
   91   2HG1  VAL  11          2HG1      VAL  11   5.786  -4.245   1.624
   92   3HG1  VAL  11          3HG1      VAL  11   5.933  -4.255   3.382
   93   1HG2  VAL  11          1HG2      VAL  11   3.130  -1.865   2.689
   94   2HG2  VAL  11          2HG2      VAL  11   3.571  -3.284   3.641
   95   3HG2  VAL  11          3HG2      VAL  11   3.435  -3.406   1.887
   96    H    ASP  12           H        ASP  12   7.969  -2.561   3.921
   97    HA   ASP  12           HA       ASP  12   9.461  -0.073   3.614
   98   1HB   ASP  12          2HB       ASP  12  11.407  -1.416   4.314
   99   2HB   ASP  12          1HB       ASP  12  10.067  -1.565   5.448
  100    H    LYS  13           H        LYS  13   8.357  -2.434   1.526
  101    HA   LYS  13           HA       LYS  13  10.503  -1.867  -0.401
  102   1HB   LYS  13          2HB       LYS  13  10.358  -4.192  -1.233
  103   2HB   LYS  13          1HB       LYS  13  10.926  -4.095   0.426
  104   1HG   LYS  13          2HG       LYS  13   8.622  -4.662   1.188
  105   2HG   LYS  13          1HG       LYS  13   8.167  -4.894  -0.503
  106   1HD   LYS  13          2HD       LYS  13   8.697  -7.038   0.522
  107   2HD   LYS  13          1HD       LYS  13   9.894  -6.642  -0.713
  108   1HE   LYS  13          2HE       LYS  13  11.386  -5.786   1.094
  109   2HE   LYS  13          1HE       LYS  13  10.213  -6.363   2.277
  110   1HZ   LYS  13          1HZ       LYS  13  11.676  -8.036   0.313
  111   2HZ   LYS  13          2HZ       LYS  13  10.537  -8.604   1.426
  112   3HZ   LYS  13          3HZ       LYS  13  11.991  -7.945   1.973
  113    H    SER  14           H        SER  14   9.914  -1.980  -2.637
  114    HA   SER  14           HA       SER  14   7.255  -0.895  -3.052
  115   1HB   SER  14          2HB       SER  14   9.495  -1.310  -5.052
  116   2HB   SER  14          1HB       SER  14   8.052  -0.327  -5.291
  117    HG   SER  14           HG       SER  14   9.213   1.222  -4.484
  118    H    ARG  15           H        ARG  15   8.021  -4.007  -2.841
  119    HA   ARG  15           HA       ARG  15   6.248  -4.797  -5.066
  120   1HB   ARG  15          2HB       ARG  15   8.638  -6.362  -4.068
  121   2HB   ARG  15          1HB       ARG  15   7.575  -6.810  -5.399
  122   1HG   ARG  15          2HG       ARG  15   8.299  -4.902  -6.683
  123   2HG   ARG  15          1HG       ARG  15   9.275  -4.329  -5.332
  124   1HD   ARG  15          2HD       ARG  15  10.740  -5.382  -6.887
  125   2HD   ARG  15          1HD       ARG  15  10.597  -6.454  -5.496
  126    HE   ARG  15           HE       ARG  15   8.679  -7.196  -7.398
  127   1HH1  ARG  15          1HH1      ARG  15  12.099  -7.147  -7.064
  128   2HH1  ARG  15          2HH1      ARG  15  12.330  -8.553  -8.044
  129   1HH2  ARG  15          1HH2      ARG  15   8.979  -8.978  -8.690
  130   2HH2  ARG  15          2HH2      ARG  15  10.579  -9.584  -8.945
  131    H    VAL  16           H        VAL  16   4.435  -5.626  -4.334
  132    HA   VAL  16           HA       VAL  16   4.444  -7.323  -1.908
  133    HB   VAL  16           HB       VAL  16   2.290  -5.288  -2.552
  134   1HG1  VAL  16          1HG1      VAL  16   1.441  -7.227  -1.350
  135   2HG1  VAL  16          2HG1      VAL  16   1.452  -5.811  -0.296
  136   3HG1  VAL  16          3HG1      VAL  16   2.700  -7.048  -0.127
  137   1HG2  VAL  16          1HG2      VAL  16   3.117  -4.006  -0.630
  138   2HG2  VAL  16          2HG2      VAL  16   4.347  -4.148  -1.887
  139   3HG2  VAL  16          3HG2      VAL  16   4.449  -5.149  -0.438
  140    H    ALA  17           H        ALA  17   2.755  -8.931  -1.817
  141    HA   ALA  17           HA       ALA  17   2.023  -9.959  -4.417
  142   1HB   ALA  17          1HB       ALA  17   2.853 -11.460  -2.678
  143   2HB   ALA  17          2HB       ALA  17   1.234 -11.923  -3.205
  144   3HB   ALA  17          3HB       ALA  17   1.457 -11.078  -1.670
  145    H    CYS  18           H        CYS  18  -0.134 -10.613  -5.019
  146    HA   CYS  18           HA       CYS  18  -2.321  -9.039  -3.820
  147   1HB   CYS  18          2HB       CYS  18  -1.343  -7.741  -5.679
  148   2HB   CYS  18          1HB       CYS  18  -1.616  -9.093  -6.767
  149    HG   CYS  18           HG       CYS  18  -3.631  -7.645  -7.599
  150    H    ASP  19           H        ASP  19  -4.320  -9.587  -5.618
  151    HA   ASP  19           HA       ASP  19  -5.908 -11.066  -6.227
  152   1HB   ASP  19          2HB       ASP  19  -4.065 -11.882  -7.731
  153   2HB   ASP  19          1HB       ASP  19  -3.690 -13.104  -6.520
  154    H    GLY  20           H        GLY  20  -6.852 -11.018  -4.137
  155   1HA   GLY  20          2HA       GLY  20  -7.677 -13.371  -3.079
  156   2HA   GLY  20          1HA       GLY  20  -6.193 -13.057  -2.189
  157    H    GLY  21           H        GLY  21  -8.770 -13.208  -0.956
  158   1HA   GLY  21          2HA       GLY  21  -8.651 -11.068   0.792
  159   2HA   GLY  21          1HA       GLY  21  -9.736 -10.534  -0.476
  160    H    GLU  22           H        GLU  22  -9.575 -13.876   0.712
  161    HA   GLU  22           HA       GLU  22 -11.704 -13.466   2.618
  162   1HB   GLU  22          2HB       GLU  22 -12.942 -13.612   0.466
  163   2HB   GLU  22          1HB       GLU  22 -12.248 -15.204   0.198
  164   1HG   GLU  22          2HG       GLU  22 -14.548 -15.318   1.046
  165   2HG   GLU  22          1HG       GLU  22 -13.396 -16.083   2.138
  166    H    GLY  23           H        GLY  23 -11.982 -15.215   4.047
  167   1HA   GLY  23          2HA       GLY  23 -10.948 -16.696   5.493
  168   2HA   GLY  23          1HA       GLY  23 -11.038 -17.745   4.093
  169    H    ALA  24           H        ALA  24  -9.165 -18.218   2.937
  170    HA   ALA  24           HA       ALA  24  -6.701 -17.920   4.403
  171   1HB   ALA  24          1HB       ALA  24  -7.288 -20.035   3.295
  172   2HB   ALA  24          2HB       ALA  24  -5.741 -19.402   2.727
  173   3HB   ALA  24          3HB       ALA  24  -7.185 -19.231   1.726
  174    H    LEU  25           H        LEU  25  -8.189 -15.834   2.429
  175    HA   LEU  25           HA       LEU  25  -7.605 -13.924   1.386
  176   1HB   LEU  25          2HB       LEU  25  -4.878 -14.482   2.550
  177   2HB   LEU  25          1HB       LEU  25  -5.353 -12.972   1.793
  178    HG   LEU  25           HG       LEU  25  -6.518 -14.134   4.333
  179   1HD1  LEU  25          1HD1      LEU  25  -4.267 -13.219   4.609
  180   2HD1  LEU  25          2HD1      LEU  25  -5.476 -12.240   5.438
  181   3HD1  LEU  25          3HD1      LEU  25  -4.801 -11.693   3.904
  182   1HD2  LEU  25          1HD2      LEU  25  -7.174 -11.546   2.917
  183   2HD2  LEU  25          2HD2      LEU  25  -7.775 -12.036   4.501
  184   3HD2  LEU  25          3HD2      LEU  25  -8.232 -12.951   3.066
  185    H    GLY  26           H        GLY  26  -6.954 -16.744   0.192
  186   1HA   GLY  26          2HA       GLY  26  -6.261 -17.549  -1.839
  187   2HA   GLY  26          1HA       GLY  26  -6.502 -15.914  -2.421
  188    H    HIS  27           H        HIS  27  -4.800 -15.095  -3.400
  189    HA   HIS  27           HA       HIS  27  -2.701 -14.445  -3.927
  190   1HB   HIS  27          2HB       HIS  27  -1.965 -15.377  -1.139
  191   2HB   HIS  27          1HB       HIS  27  -0.963 -14.368  -2.182
  192    HD1  HIS  27           HD1      HIS  27  -3.470 -12.568  -3.110
  193    HD2  HIS  27           HD2      HIS  27  -2.298 -13.383   0.793
  194    HE1  HIS  27           HE1      HIS  27  -4.430 -10.709  -1.717
  195    HE2  HIS  27           HE2      HIS  27  -3.633 -11.173   0.624
  196    HA   PRO  28           HA       PRO  28  -1.188 -18.618  -5.142
  197   1HB   PRO  28          2HB       PRO  28  -1.190 -18.121  -7.814
  198   2HB   PRO  28          1HB       PRO  28  -2.608 -18.725  -6.953
  199   1HG   PRO  28          2HG       PRO  28  -1.980 -15.944  -7.859
  200   2HG   PRO  28          1HG       PRO  28  -3.531 -16.805  -7.873
  201   1HD   PRO  28          2HD       PRO  28  -2.821 -14.949  -5.970
  202   2HD   PRO  28          1HD       PRO  28  -3.988 -16.257  -5.692
  203    H    ARG  29           H        ARG  29  -0.342 -15.816  -7.183
  204    HA   ARG  29           HA       ARG  29   1.890 -14.966  -5.826
  205   1HB   ARG  29          2HB       ARG  29   2.773 -17.254  -6.645
  206   2HB   ARG  29          1HB       ARG  29   2.852 -16.493  -8.232
  207   1HG   ARG  29          2HG       ARG  29   4.994 -16.305  -7.188
  208   2HG   ARG  29          1HG       ARG  29   4.276 -14.706  -7.245
  209   1HD   ARG  29          2HD       ARG  29   3.730 -14.772  -4.939
  210   2HD   ARG  29          1HD       ARG  29   4.077 -16.498  -4.832
  211    HE   ARG  29           HE       ARG  29   6.402 -15.089  -5.608
  212   1HH1  ARG  29          1HH1      ARG  29   4.392 -15.649  -2.874
  213   2HH1  ARG  29          2HH1      ARG  29   5.663 -15.396  -1.737
  214   1HH2  ARG  29          1HH2      ARG  29   8.038 -14.765  -4.148
  215   2HH2  ARG  29          2HH2      ARG  29   7.719 -14.900  -2.455
  216    H    VAL  30           H        VAL  30   0.838 -13.143  -6.394
  217    HA   VAL  30           HA       VAL  30   1.268 -12.129  -9.134
  218    HB   VAL  30           HB       VAL  30  -1.147 -11.548  -7.382
  219   1HG1  VAL  30          1HG1      VAL  30  -2.019 -10.327  -9.328
  220   2HG1  VAL  30          2HG1      VAL  30  -0.503 -10.616 -10.184
  221   3HG1  VAL  30          3HG1      VAL  30  -0.517  -9.617  -8.730
  222   1HG2  VAL  30          1HG2      VAL  30  -2.446 -12.753  -9.077
  223   2HG2  VAL  30          2HG2      VAL  30  -1.242 -13.803  -8.329
  224   3HG2  VAL  30          3HG2      VAL  30  -0.960 -13.147  -9.942
  225    H    TRP  31           H        TRP  31   2.233 -10.114  -9.225
  226    HA   TRP  31           HA       TRP  31   2.878  -8.889  -6.605
  227   1HB   TRP  31          2HB       TRP  31   4.570  -9.091  -9.103
  228   2HB   TRP  31          1HB       TRP  31   5.015  -8.158  -7.678
  229    HD1  TRP  31           HD       TRP  31   4.579 -11.801  -8.848
  230    HE1  TRP  31           HE1      TRP  31   5.869 -13.329  -7.229
  231    HE3  TRP  31           HE3      TRP  31   5.908  -8.328  -5.337
  232    HZ2  TRP  31           HZ2      TRP  31   7.269 -13.092  -4.784
  233    HZ3  TRP  31           HZ3      TRP  31   7.224  -9.060  -3.390
  234    HH2  TRP  31           HH       TRP  31   7.888 -11.396  -3.121
  235    H    LEU  32           H        LEU  32   2.531  -6.794  -6.285
  236    HA   LEU  32           HA       LEU  32   1.951  -5.048  -8.599
  237   1HB   LEU  32          2HB       LEU  32   0.811  -5.172  -5.852
  238   2HB   LEU  32          1HB       LEU  32   1.035  -3.576  -6.536
  239    HG   LEU  32           HG       LEU  32  -0.398  -4.148  -8.432
  240   1HD1  LEU  32          1HD1      LEU  32  -1.668  -6.260  -8.433
  241   2HD1  LEU  32          2HD1      LEU  32  -0.679  -6.832  -7.090
  242   3HD1  LEU  32          3HD1      LEU  32   0.063  -6.502  -8.652
  243   1HD2  LEU  32          1HD2      LEU  32  -1.659  -4.787  -5.762
  244   2HD2  LEU  32          2HD2      LEU  32  -2.528  -4.321  -7.224
  245   3HD2  LEU  32          3HD2      LEU  32  -1.433  -3.179  -6.452
  246    H    GLN  33           H        GLN  33   2.967  -3.060  -8.756
  247    HA   GLN  33           HA       GLN  33   5.398  -2.762  -7.123
  248   1HB   GLN  33          2HB       GLN  33   5.847  -2.985  -9.486
  249   2HB   GLN  33          1HB       GLN  33   4.669  -1.744  -9.880
  250   1HG   GLN  33          2HG       GLN  33   6.636  -0.599 -10.126
  251   2HG   GLN  33          1HG       GLN  33   6.218  -0.194  -8.467
  252   1HE2  GLN  33          1HE2      GLN  33   7.081  -2.842  -7.444
  253   2HE2  GLN  33          2HE2      GLN  33   8.802  -2.800  -7.489
  254    H    ILE  34           H        ILE  34   5.377  -1.244  -5.584
  255    HA   ILE  34           HA       ILE  34   3.381   0.807  -5.447
  256    HB   ILE  34           HB       ILE  34   5.917   0.599  -3.807
  257   1HG1  ILE  34          2HG1      ILE  34   3.165  -0.515  -3.186
  258   2HG1  ILE  34          1HG1      ILE  34   4.559  -1.480  -3.655
  259   1HG2  ILE  34          1HG2      ILE  34   4.642   1.922  -2.153
  260   2HG2  ILE  34          2HG2      ILE  34   3.314   2.043  -3.306
  261   3HG2  ILE  34          3HG2      ILE  34   4.869   2.782  -3.674
  262   1HD1  ILE  34          1HD1      ILE  34   4.297   0.179  -1.155
  263   2HD1  ILE  34          2HD1      ILE  34   5.719  -0.754  -1.621
  264   3HD1  ILE  34          3HD1      ILE  34   4.201  -1.578  -1.265
  265    HA   PRO  35           HA       PRO  35   5.896   3.645  -7.948
  266   1HB   PRO  35          2HB       PRO  35   3.982   5.476  -8.410
  267   2HB   PRO  35          1HB       PRO  35   3.967   3.904  -9.222
  268   1HG   PRO  35          2HG       PRO  35   2.418   4.808  -6.815
  269   2HG   PRO  35          1HG       PRO  35   1.843   3.904  -8.226
  270   1HD   PRO  35          2HD       PRO  35   2.494   2.721  -5.846
  271   2HD   PRO  35          1HD       PRO  35   2.639   1.893  -7.409
  272    H    GLU  36           H        GLU  36   7.244   5.219  -7.207
  273    HA   GLU  36           HA       GLU  36   6.817   6.332  -4.577
  274   1HB   GLU  36          2HB       GLU  36   9.011   7.485  -4.992
  275   2HB   GLU  36          1HB       GLU  36   9.059   5.731  -5.102
  276   1HG   GLU  36          2HG       GLU  36   8.955   5.918  -7.566
  277   2HG   GLU  36          1HG       GLU  36   9.020   7.676  -7.409
  278    H    ASP  37           H        ASP  37   5.856   7.238  -7.665
  279    HA   ASP  37           HA       ASP  37   5.741  10.061  -7.407
  280   1HB   ASP  37          2HB       ASP  37   5.444   8.918  -9.555
  281   2HB   ASP  37          1HB       ASP  37   3.971   8.154  -8.966
  282    H    THR  38           H        THR  38   3.190   7.604  -6.924
  283    HA   THR  38           HA       THR  38   1.435   9.438  -5.545
  284    HB   THR  38           HB       THR  38  -0.067   7.545  -5.273
  285    HG1  THR  38           HG1      THR  38   0.581   5.451  -5.737
  286   1HG2  THR  38          1HG2      THR  38  -0.033   8.587  -7.489
  287   2HG2  THR  38          2HG2      THR  38  -0.365   6.860  -7.610
  288   3HG2  THR  38          3HG2      THR  38   1.240   7.478  -7.999
  289    H    GLY  39           H        GLY  39   3.464   6.676  -4.684
  290   1HA   GLY  39          2HA       GLY  39   4.646   6.545  -2.607
  291   2HA   GLY  39          1HA       GLY  39   3.386   7.511  -1.859
  292    H    TRP  40           H        TRP  40   1.859   5.299  -3.806
  293    HA   TRP  40           HA       TRP  40   1.876   3.035  -2.024
  294   1HB   TRP  40          2HB       TRP  40  -0.506   3.256  -1.321
  295   2HB   TRP  40          1HB       TRP  40   0.530   4.511  -0.653
  296    HD1  TRP  40           HD       TRP  40  -0.014   7.002  -1.278
  297    HE1  TRP  40           HE1      TRP  40  -1.939   8.132  -2.555
  298    HE3  TRP  40           HE3      TRP  40  -2.162   2.859  -3.374
  299    HZ2  TRP  40           HZ2      TRP  40  -4.075   7.381  -4.231
  300    HZ3  TRP  40           HZ3      TRP  40  -4.143   3.155  -4.802
  301    HH2  TRP  40           HH       TRP  40  -5.078   5.368  -5.220
  302    H    VAL  41           H        VAL  41   0.478   1.290  -2.683
  303    HA   VAL  41           HA       VAL  41  -1.189   1.660  -5.057
  304    HB   VAL  41           HB       VAL  41   1.040   0.843  -5.899
  305   1HG1  VAL  41          1HG1      VAL  41   1.775  -1.408  -5.459
  306   2HG1  VAL  41          2HG1      VAL  41   0.357  -1.721  -4.458
  307   3HG1  VAL  41          3HG1      VAL  41   1.573  -0.568  -3.921
  308   1HG2  VAL  41          1HG2      VAL  41  -1.294  -1.046  -6.264
  309   2HG2  VAL  41          2HG2      VAL  41   0.112  -0.940  -7.324
  310   3HG2  VAL  41          3HG2      VAL  41  -0.991   0.429  -7.180
  311    H    GLU  42           H        GLU  42  -3.078   0.449  -4.911
  312    HA   GLU  42           HA       GLU  42  -3.269  -1.212  -2.476
  313   1HB   GLU  42          2HB       GLU  42  -5.673  -0.603  -2.419
  314   2HB   GLU  42          1HB       GLU  42  -4.583   0.760  -2.217
  315   1HG   GLU  42          2HG       GLU  42  -4.939   1.366  -4.578
  316   2HG   GLU  42          1HG       GLU  42  -6.080   0.030  -4.730
  317    H    CYS  43           H        CYS  43  -4.198  -3.167  -2.481
  318    HA   CYS  43           HA       CYS  43  -4.408  -4.591  -4.956
  319   1HB   CYS  43          2HB       CYS  43  -3.573  -5.729  -2.980
  320   2HB   CYS  43          1HB       CYS  43  -5.072  -5.410  -2.116
  321    HG   CYS  43           HG       CYS  43  -4.368  -7.784  -4.384
  322    HA   PRO  44           HA       PRO  44  -8.709  -3.332  -5.658
  323   1HB   PRO  44          2HB       PRO  44  -8.482  -5.408  -7.785
  324   2HB   PRO  44          1HB       PRO  44  -9.011  -3.725  -7.906
  325   1HG   PRO  44          2HG       PRO  44  -6.615  -4.459  -8.811
  326   2HG   PRO  44          1HG       PRO  44  -6.829  -2.910  -7.970
  327   1HD   PRO  44          2HD       PRO  44  -5.676  -5.482  -6.944
  328   2HD   PRO  44          1HD       PRO  44  -5.132  -3.813  -6.670
  329    H    TYR  45           H        TYR  45  -7.519  -6.445  -4.850
  330    HA   TYR  45           HA       TYR  45 -10.113  -7.753  -4.829
  331   1HB   TYR  45          2HB       TYR  45  -7.368  -8.716  -3.993
  332   2HB   TYR  45          1HB       TYR  45  -8.811  -9.724  -4.027
  333    HD1  TYR  45           HD2      TYR  45  -6.357  -7.915  -6.102
  334    HD2  TYR  45           HD1      TYR  45  -9.714 -10.540  -6.123
  335    HE1  TYR  45           HE2      TYR  45  -5.949  -8.412  -8.473
  336    HE2  TYR  45           HE1      TYR  45  -9.309 -11.039  -8.495
  337    HH   TYR  45           HH       TYR  45  -6.440 -10.242 -10.088
  338    H    CYS  46           H        CYS  46  -7.632  -6.899  -2.387
  339    HA   CYS  46           HA       CYS  46  -9.627  -7.356  -0.260
  340   1HB   CYS  46          2HB       CYS  46  -7.514  -8.580  -0.042
  341   2HB   CYS  46          1HB       CYS  46  -6.618  -7.066  -0.077
  342    HG   CYS  46           HG       CYS  46  -8.900  -6.996   2.316
  343    H    ASP  47           H        ASP  47  -8.436  -4.811  -2.018
  344    HA   ASP  47           HA       ASP  47  -8.579  -2.555  -1.851
  345   1HB   ASP  47          2HB       ASP  47 -10.210  -3.167   0.618
  346   2HB   ASP  47          1HB       ASP  47 -10.042  -1.564  -0.092
  347    H    CYS  48           H        CYS  48  -6.614  -4.284  -0.107
  348    HA   CYS  48           HA       CYS  48  -5.784  -2.520   1.982
  349   1HB   CYS  48          2HB       CYS  48  -3.743  -4.047   2.009
  350   2HB   CYS  48          1HB       CYS  48  -5.298  -4.815   2.296
  351    HG   CYS  48           HG       CYS  48  -3.505  -6.393   0.682
  352    H    LYS  49           H        LYS  49  -4.746  -0.680   1.722
  353    HA   LYS  49           HA       LYS  49  -3.417  -0.021  -0.791
  354   1HB   LYS  49          2HB       LYS  49  -5.126   1.462   0.391
  355   2HB   LYS  49          1HB       LYS  49  -3.892   1.767   1.604
  356   1HG   LYS  49          2HG       LYS  49  -2.430   2.638  -0.246
  357   2HG   LYS  49          1HG       LYS  49  -3.836   2.526  -1.307
  358   1HD   LYS  49          2HD       LYS  49  -3.515   4.239   1.163
  359   2HD   LYS  49          1HD       LYS  49  -3.713   4.784  -0.502
  360   1HE   LYS  49          2HE       LYS  49  -5.804   3.243   1.042
  361   2HE   LYS  49          1HE       LYS  49  -5.769   4.999   0.910
  362   1HZ   LYS  49          1HZ       LYS  49  -6.101   4.842  -1.435
  363   2HZ   LYS  49          2HZ       LYS  49  -7.282   3.907  -0.677
  364   3HZ   LYS  49          3HZ       LYS  49  -5.957   3.159  -1.415
  365    H    TYR  50           H        TYR  50  -1.258  -0.415  -0.956
  366    HA   TYR  50           HA       TYR  50   0.325  -0.625   1.504
  367   1HB   TYR  50          2HB       TYR  50   0.940  -1.542  -1.318
  368   2HB   TYR  50          1HB       TYR  50   2.005  -1.767   0.068
  369    HD1  TYR  50           HD1      TYR  50   1.033  -3.087   2.080
  370    HD2  TYR  50           HD2      TYR  50  -0.658  -3.189  -1.829
  371    HE1  TYR  50           HE1      TYR  50  -0.087  -5.203   2.623
  372    HE2  TYR  50           HE2      TYR  50  -1.787  -5.304  -1.287
  373    HH   TYR  50           HH       TYR  50  -1.422  -7.221   0.317
  374    H    VAL  51           H        VAL  51   1.041   1.342   2.074
  375    HA   VAL  51           HA       VAL  51   2.185   3.211   0.180
  376    HB   VAL  51           HB       VAL  51   2.073   3.246   3.211
  377   1HG1  VAL  51          1HG1      VAL  51   4.010   4.532   2.434
  378   2HG1  VAL  51          2HG1      VAL  51   2.762   5.598   3.080
  379   3HG1  VAL  51          3HG1      VAL  51   2.974   5.442   1.334
  380   1HG2  VAL  51          1HG2      VAL  51  -0.112   3.458   2.136
  381   2HG2  VAL  51          2HG2      VAL  51   0.490   4.787   1.144
  382   3HG2  VAL  51          3HG2      VAL  51   0.362   4.978   2.892
  383    H    LEU  52           H        LEU  52   4.354   3.713  -0.094
  384    HA   LEU  52           HA       LEU  52   6.288   1.713   0.786
  385   1HB   LEU  52          2HB       LEU  52   6.314   2.382  -1.548
  386   2HB   LEU  52          1HB       LEU  52   6.536   4.062  -1.099
  387    HG   LEU  52           HG       LEU  52   8.766   3.479  -0.151
  388   1HD1  LEU  52          1HD1      LEU  52   8.213   0.765  -1.355
  389   2HD1  LEU  52          2HD1      LEU  52   8.384   1.132   0.360
  390   3HD1  LEU  52          3HD1      LEU  52   9.766   1.306  -0.718
  391   1HD2  LEU  52          1HD2      LEU  52   8.364   2.727  -3.049
  392   2HD2  LEU  52          2HD2      LEU  52   9.899   3.182  -2.305
  393   3HD2  LEU  52          3HD2      LEU  52   8.591   4.361  -2.420
  394    H    LYS  53           H        LYS  53   7.558   1.986   2.524
  395    HA   LYS  53           HA       LYS  53   7.739   4.444   3.964
  396   1HB   LYS  53          2HB       LYS  53   8.017   1.978   4.804
  397   2HB   LYS  53          1HB       LYS  53   9.692   2.170   4.309
  398   1HG   LYS  53          2HG       LYS  53   8.331   4.065   6.217
  399   2HG   LYS  53          1HG       LYS  53   9.165   2.607   6.751
  400   1HD   LYS  53          2HD       LYS  53  11.260   3.417   5.846
  401   2HD   LYS  53          1HD       LYS  53  10.449   4.820   5.141
  402   1HE   LYS  53          2HE       LYS  53  10.538   4.233   8.102
  403   2HE   LYS  53          1HE       LYS  53  11.675   5.294   7.273
  404   1HZ   LYS  53          1HZ       LYS  53   9.814   6.493   8.327
  405   2HZ   LYS  53          2HZ       LYS  53   8.730   5.704   7.297
  406   3HZ   LYS  53          3HZ       LYS  53   9.893   6.747   6.658
  407    H    GLY  54           H        GLY  54   9.095   6.108   3.629
  408   1HA   GLY  54          2HA       GLY  54  11.078   7.192   2.935
  409   2HA   GLY  54          1HA       GLY  54  11.503   5.771   1.989
  410    H    SER  55           H        SER  55   8.669   7.949   2.117
  411    HA   SER  55           HA       SER  55   9.028   8.745  -0.644
  412   1HB   SER  55          2HB       SER  55   7.030   7.791  -1.545
  413   2HB   SER  55          1HB       SER  55   7.843   6.473  -0.699
  414    HG   SER  55           HG       SER  55   6.254   6.381   0.701
  415    H    LYS  56           H        LYS  56   6.850   9.898  -1.341
  416    HA   LYS  56           HA       LYS  56   6.548  12.173   0.307
  417   1HB   LYS  56          2HB       LYS  56   6.414  12.231  -2.126
  418   2HB   LYS  56          1HB       LYS  56   4.993  11.205  -2.097
  419   1HG   LYS  56          2HG       LYS  56   3.657  12.946  -1.155
  420   2HG   LYS  56          1HG       LYS  56   5.077  13.959  -0.874
  421   1HD   LYS  56          2HD       LYS  56   3.745  14.623  -2.878
  422   2HD   LYS  56          1HD       LYS  56   5.427  14.236  -3.240
  423   1HE   LYS  56          2HE       LYS  56   4.645  11.917  -3.868
  424   2HE   LYS  56          1HE       LYS  56   2.994  12.517  -3.733
  425   1HZ   LYS  56          1HZ       LYS  56   3.831  12.561  -6.013
  426   2HZ   LYS  56          2HZ       LYS  56   5.068  13.619  -5.551
  427   3HZ   LYS  56          3HZ       LYS  56   3.453  14.114  -5.460
  428    H    ALA  57           H        ALA  57   4.942   9.140   0.353
  429    HA   ALA  57           HA       ALA  57   2.653  10.217   1.862
  430   1HB   ALA  57          1HB       ALA  57   2.166   8.632   0.051
  431   2HB   ALA  57          2HB       ALA  57   1.661   8.007   1.619
  432   3HB   ALA  57          3HB       ALA  57   3.137   7.403   0.864
  433    H    ASP  58           H        ASP  58   5.686   9.399   2.573
  434    HA   ASP  58           HA       ASP  58   5.036   8.116   5.152
  435   1HB   ASP  58          2HB       ASP  58   6.221   6.523   3.816
  436   2HB   ASP  58          1HB       ASP  58   7.383   7.726   3.289
  437    H    ALA  59           H        ALA  59   7.015   8.492   6.737
  438    HA   ALA  59           HA       ALA  59   8.256   9.888   8.015
  439   1HB   ALA  59          1HB       ALA  59   9.408  11.798   7.023
  440   2HB   ALA  59          2HB       ALA  59   8.420  11.658   5.569
  441   3HB   ALA  59          3HB       ALA  59   9.551  10.373   5.994
  442    H    LEU  60           H        LEU  60   6.526  10.264   9.393
  443    HA   LEU  60           HA       LEU  60   4.631  12.379   8.779
  444   1HB   LEU  60          2HB       LEU  60   4.808  10.468  11.117
  445   2HB   LEU  60          1HB       LEU  60   3.544  11.665  10.915
  446    HG   LEU  60           HG       LEU  60   2.914  10.523   8.752
  447   1HD1  LEU  60          1HD1      LEU  60   3.655   8.242   8.369
  448   2HD1  LEU  60          2HD1      LEU  60   4.741   8.336   9.759
  449   3HD1  LEU  60          3HD1      LEU  60   5.024   9.350   8.341
  450   1HD2  LEU  60          1HD2      LEU  60   1.630  10.165  10.785
  451   2HD2  LEU  60          2HD2      LEU  60   2.731   8.879  11.282
  452   3HD2  LEU  60          3HD2      LEU  60   1.724   8.678   9.847
  453    H    GLU  61           H        GLU  61   6.114  14.163   8.868
  454    HA   GLU  61           HA       GLU  61   7.645  14.891  11.120
  455   1HB   GLU  61          2HB       GLU  61   6.382  16.679   9.028
  456   2HB   GLU  61          1HB       GLU  61   7.687  17.141  10.111
  457   1HG   GLU  61          2HG       GLU  61   9.153  15.493   9.081
  458   2HG   GLU  61          1HG       GLU  61   7.842  14.966   8.025
  459    H    HIS  62           H        HIS  62   4.324  14.741  10.825
  460    HA   HIS  62           HA       HIS  62   3.791  16.787  12.858
  461   1HB   HIS  62          2HB       HIS  62   1.370  16.305  12.282
  462   2HB   HIS  62          1HB       HIS  62   2.329  17.008  10.985
  463    HD1  HIS  62           HD1      HIS  62   3.099  15.292   9.065
  464    HD2  HIS  62           HD2      HIS  62   0.151  13.932  11.663
  465    HE1  HIS  62           HE1      HIS  62   2.075  13.296   7.941
  466    HE2  HIS  62           HE2      HIS  62   0.216  12.572   9.459
  467    H    HIS  63           H        HIS  63   5.027  14.018  13.258
  468    HA   HIS  63           HA       HIS  63   3.401  13.407  15.620
  469   1HB   HIS  63          2HB       HIS  63   4.232  11.418  13.520
  470   2HB   HIS  63          1HB       HIS  63   3.994  10.908  15.186
  471    HD1  HIS  63           HD1      HIS  63   1.558  10.914  16.091
  472    HD2  HIS  63           HD2      HIS  63   1.899  11.991  12.096
  473    HE1  HIS  63           HE1      HIS  63  -0.765  10.793  15.162
  474    HE2  HIS  63           HE2      HIS  63  -0.484  11.201  12.705
  475    H    HIS  64           H        HIS  64   4.520  12.749  17.411
  476    HA   HIS  64           HA       HIS  64   6.214  12.347  18.848
  477   1HB   HIS  64          2HB       HIS  64   6.591  10.501  17.051
  478   2HB   HIS  64          1HB       HIS  64   7.990  11.460  16.583
  479    HD1  HIS  64           HD1      HIS  64   6.798   9.040  19.070
  480    HD2  HIS  64           HD2      HIS  64   9.997  11.664  18.673
  481    HE1  HIS  64           HE1      HIS  64   8.481   8.313  20.781
  482    HE2  HIS  64           HE2      HIS  64  10.435   9.867  20.481
  483    H    HIS  65           H        HIS  65   8.241  13.242  16.046
  484    HA   HIS  65           HA       HIS  65   8.771  15.896  16.869
  485   1HB   HIS  65          2HB       HIS  65   9.980  14.692  18.702
  486   2HB   HIS  65          1HB       HIS  65  11.002  13.934  17.485
  487    HD1  HIS  65           HD1      HIS  65  12.890  15.360  16.465
  488    HD2  HIS  65           HD2      HIS  65  10.478  17.448  19.135
  489    HE1  HIS  65           HE1      HIS  65  14.094  17.512  16.929
  490    HE2  HIS  65           HE2      HIS  65  12.604  18.775  18.509
  491    H    HIS  66           H        HIS  66   9.619  16.993  15.162
  492    HA   HIS  66           HA       HIS  66  10.665  15.394  12.910
  493   1HB   HIS  66          2HB       HIS  66  10.032  17.345  11.482
  494   2HB   HIS  66          1HB       HIS  66   8.667  16.581  12.284
  495    HD1  HIS  66           HD1      HIS  66   7.134  18.111  13.473
  496    HD2  HIS  66           HD2      HIS  66  10.871  19.830  12.881
  497    HE1  HIS  66           HE1      HIS  66   6.921  20.474  14.290
  498    HE2  HIS  66           HE2      HIS  66   9.128  21.545  13.732
  499    H    HIS  67           H        HIS  67  12.373  16.315  11.610
  500    HA   HIS  67           HA       HIS  67  14.503  17.451  13.150
  501   1HB   HIS  67          2HB       HIS  67  15.634  17.496  10.801
  502   2HB   HIS  67          1HB       HIS  67  15.256  15.942  11.536
  503    HD1  HIS  67           HD1      HIS  67  13.825  18.326   8.947
  504    HD2  HIS  67           HD2      HIS  67  13.708  14.311   9.988
  505    HE1  HIS  67           HE1      HIS  67  12.512  17.201   7.127
  506    HE2  HIS  67           HE2      HIS  67  12.291  14.812   7.887
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1 -23.573   6.594   6.853
    2   2H    MET   1          2H        MET   1 -22.273   5.874   6.053
    3   3H    MET   1          3H        MET   1 -21.989   6.963   7.310
    4    HA   MET   1           HA       MET   1 -22.957   5.484   8.907
    5   1HB   MET   1          2HB       MET   1 -24.581   4.501   7.267
    6   2HB   MET   1          1HB       MET   1 -23.270   3.539   6.603
    7   1HG   MET   1          2HG       MET   1 -24.292   3.399   9.438
    8   2HG   MET   1          1HG       MET   1 -24.672   2.258   8.149
    9   1HE   MET   1          1HE       MET   1 -22.331   0.196  10.549
   10   2HE   MET   1          2HE       MET   1 -23.905   0.255   9.756
   11   3HE   MET   1          3HE       MET   1 -23.513   1.418  11.022
   12    H    THR   2           H        THR   2 -21.093   4.138   6.150
   13    HA   THR   2           HA       THR   2 -19.382   2.553   7.769
   14    HB   THR   2           HB       THR   2 -18.009   2.267   5.726
   15    HG1  THR   2           HG1      THR   2 -19.061   3.308   3.776
   16   1HG2  THR   2          1HG2      THR   2 -20.991   2.060   5.248
   17   2HG2  THR   2          2HG2      THR   2 -19.984   0.854   6.050
   18   3HG2  THR   2          3HG2      THR   2 -19.740   1.208   4.339
   19    H    ILE   3           H        ILE   3 -17.287   2.840   8.450
   20    HA   ILE   3           HA       ILE   3 -16.314   5.603   8.609
   21    HB   ILE   3           HB       ILE   3 -14.690   4.736  10.252
   22   1HG1  ILE   3          2HG1      ILE   3 -16.067   2.067   9.805
   23   2HG1  ILE   3          1HG1      ILE   3 -14.422   2.465   9.313
   24   1HG2  ILE   3          1HG2      ILE   3 -16.289   4.209  12.029
   25   2HG2  ILE   3          2HG2      ILE   3 -17.538   3.908  10.819
   26   3HG2  ILE   3          3HG2      ILE   3 -16.868   5.528  11.012
   27   1HD1  ILE   3          1HD1      ILE   3 -14.349   1.156  11.308
   28   2HD1  ILE   3          2HD1      ILE   3 -15.468   2.245  12.125
   29   3HD1  ILE   3          3HD1      ILE   3 -13.851   2.803  11.700
   30    H    GLN   4           H        GLN   4 -16.005   3.147   6.497
   31    HA   GLN   4           HA       GLN   4 -14.641   2.684   4.763
   32   1HB   GLN   4          2HB       GLN   4 -13.013   5.061   5.684
   33   2HB   GLN   4          1HB       GLN   4 -12.785   4.207   4.165
   34   1HG   GLN   4          2HG       GLN   4 -15.071   4.851   3.490
   35   2HG   GLN   4          1HG       GLN   4 -15.238   5.755   4.994
   36   1HE2  GLN   4          1HE2      GLN   4 -12.438   6.683   4.896
   37   2HE2  GLN   4          2HE2      GLN   4 -12.392   7.903   3.679
   38    H    ALA   5           H        ALA   5 -12.320   3.805   7.228
   39    HA   ALA   5           HA       ALA   5 -10.418   2.879   8.066
   40   1HB   ALA   5          1HB       ALA   5 -12.121   1.489   9.202
   41   2HB   ALA   5          2HB       ALA   5 -10.595   0.640   8.957
   42   3HB   ALA   5          3HB       ALA   5 -11.972   0.295   7.910
   43    HA   PRO   6           HA       PRO   6  -9.113   1.308   3.830
   44   1HB   PRO   6          2HB       PRO   6  -7.365   3.674   3.800
   45   2HB   PRO   6          1HB       PRO   6  -8.530   3.131   2.591
   46   1HG   PRO   6          2HG       PRO   6  -8.964   5.320   4.105
   47   2HG   PRO   6          1HG       PRO   6 -10.286   4.265   3.574
   48   1HD   PRO   6          2HD       PRO   6  -8.909   4.380   6.244
   49   2HD   PRO   6          1HD       PRO   6 -10.644   4.229   5.877
   50    H    GLU   7           H        GLU   7  -8.087  -0.378   4.923
   51    HA   GLU   7           HA       GLU   7  -6.002  -0.490   6.626
   52   1HB   GLU   7          2HB       GLU   7  -7.004  -2.511   5.827
   53   2HB   GLU   7          1HB       GLU   7  -6.458  -2.206   4.184
   54   1HG   GLU   7          2HG       GLU   7  -5.140  -3.959   5.260
   55   2HG   GLU   7          1HG       GLU   7  -4.146  -2.565   4.854
   56    H    THR   8           H        THR   8  -4.291   0.799   6.667
   57    HA   THR   8           HA       THR   8  -2.763   1.340   4.211
   58    HB   THR   8           HB       THR   8  -2.672   2.673   6.932
   59    HG1  THR   8           HG1      THR   8  -4.489   3.101   5.466
   60   1HG2  THR   8          1HG2      THR   8  -1.132   3.370   4.418
   61   2HG2  THR   8          2HG2      THR   8  -0.443   2.689   5.893
   62   3HG2  THR   8          3HG2      THR   8  -1.147   4.305   5.914
   63    H    LYS   9           H        LYS   9  -1.200  -0.111   3.829
   64    HA   LYS   9           HA       LYS   9   0.145  -1.414   6.095
   65   1HB   LYS   9          2HB       LYS   9   0.062  -2.291   3.196
   66   2HB   LYS   9          1HB       LYS   9   0.702  -3.209   4.555
   67   1HG   LYS   9          2HG       LYS   9  -1.515  -3.331   5.546
   68   2HG   LYS   9          1HG       LYS   9  -2.167  -2.371   4.223
   69   1HD   LYS   9          2HD       LYS   9  -2.725  -4.546   3.597
   70   2HD   LYS   9          1HD       LYS   9  -1.228  -4.271   2.706
   71   1HE   LYS   9          2HE       LYS   9  -1.360  -5.642   5.393
   72   2HE   LYS   9          1HE       LYS   9  -1.408  -6.499   3.858
   73   1HZ   LYS   9          1HZ       LYS   9   0.782  -5.634   3.340
   74   2HZ   LYS   9          2HZ       LYS   9   0.813  -6.463   4.811
   75   3HZ   LYS   9          3HZ       LYS   9   0.825  -4.778   4.800
   76    H    ILE  10           H        ILE  10   1.702   0.038   6.576
   77    HA   ILE  10           HA       ILE  10   3.368   1.255   4.562
   78    HB   ILE  10           HB       ILE  10   3.666   1.254   7.579
   79   1HG1  ILE  10          2HG1      ILE  10   2.442   3.292   5.697
   80   2HG1  ILE  10          1HG1      ILE  10   1.547   2.241   6.788
   81   1HG2  ILE  10          1HG2      ILE  10   5.779   1.770   6.461
   82   2HG2  ILE  10          2HG2      ILE  10   5.117   3.205   7.244
   83   3HG2  ILE  10          3HG2      ILE  10   4.977   3.011   5.497
   84   1HD1  ILE  10          1HD1      ILE  10   2.624   3.343   8.699
   85   2HD1  ILE  10          2HD1      ILE  10   1.704   4.465   7.698
   86   3HD1  ILE  10          3HD1      ILE  10   3.462   4.420   7.581
   87    H    VAL  11           H        VAL  11   4.631  -0.132   3.481
   88    HA   VAL  11           HA       VAL  11   6.135  -2.209   4.938
   89    HB   VAL  11           HB       VAL  11   6.370  -3.335   2.754
   90   1HG1  VAL  11          1HG1      VAL  11   4.020  -4.010   2.484
   91   2HG1  VAL  11          2HG1      VAL  11   3.515  -2.622   3.452
   92   3HG1  VAL  11          3HG1      VAL  11   4.479  -3.906   4.184
   93   1HG2  VAL  11          1HG2      VAL  11   5.083  -2.532   0.805
   94   2HG2  VAL  11          2HG2      VAL  11   6.339  -1.389   1.284
   95   3HG2  VAL  11          3HG2      VAL  11   4.655  -1.074   1.701
   96    H    ASP  12           H        ASP  12   8.338  -2.701   4.206
   97    HA   ASP  12           HA       ASP  12   9.831  -0.263   3.595
   98   1HB   ASP  12          2HB       ASP  12  10.818  -3.024   4.352
   99   2HB   ASP  12          1HB       ASP  12  11.828  -1.591   4.188
  100    H    LYS  13           H        LYS  13   8.363  -2.475   1.721
  101    HA   LYS  13           HA       LYS  13  10.538  -2.617  -0.281
  102   1HB   LYS  13          2HB       LYS  13   8.202  -4.513   0.066
  103   2HB   LYS  13          1HB       LYS  13   9.483  -4.658  -1.131
  104   1HG   LYS  13          2HG       LYS  13  11.122  -4.969   0.663
  105   2HG   LYS  13          1HG       LYS  13   9.831  -4.831   1.858
  106   1HD   LYS  13          2HD       LYS  13  10.364  -7.172   1.463
  107   2HD   LYS  13          1HD       LYS  13   8.735  -6.817   0.886
  108   1HE   LYS  13          2HE       LYS  13   9.935  -8.227  -0.699
  109   2HE   LYS  13          1HE       LYS  13   9.589  -6.649  -1.406
  110   1HZ   LYS  13          1HZ       LYS  13  11.865  -7.447  -1.851
  111   2HZ   LYS  13          2HZ       LYS  13  12.193  -7.407  -0.191
  112   3HZ   LYS  13          3HZ       LYS  13  11.846  -5.973  -1.017
  113    H    SER  14           H        SER  14   9.991  -2.348  -2.497
  114    HA   SER  14           HA       SER  14   7.657  -0.651  -2.959
  115   1HB   SER  14          2HB       SER  14   9.857  -1.461  -4.886
  116   2HB   SER  14          1HB       SER  14   8.617  -0.244  -5.183
  117    HG   SER  14           HG       SER  14   9.604   1.130  -3.863
  118    H    ARG  15           H        ARG  15   8.629  -3.925  -3.488
  119    HA   ARG  15           HA       ARG  15   6.268  -4.378  -5.202
  120   1HB   ARG  15          2HB       ARG  15   8.840  -5.957  -4.994
  121   2HB   ARG  15          1HB       ARG  15   7.456  -6.419  -5.983
  122   1HG   ARG  15          2HG       ARG  15   7.695  -4.461  -7.342
  123   2HG   ARG  15          1HG       ARG  15   8.951  -3.822  -6.284
  124   1HD   ARG  15          2HD       ARG  15  10.446  -5.621  -6.914
  125   2HD   ARG  15          1HD       ARG  15   9.177  -6.370  -7.884
  126    HE   ARG  15           HE       ARG  15   9.270  -4.170  -9.183
  127   1HH1  ARG  15          1HH1      ARG  15  12.000  -5.603  -7.654
  128   2HH1  ARG  15          2HH1      ARG  15  13.124  -4.915  -8.771
  129   1HH2  ARG  15          1HH2      ARG  15  10.721  -3.286 -10.613
  130   2HH2  ARG  15          2HH2      ARG  15  12.409  -3.612 -10.416
  131    H    VAL  16           H        VAL  16   4.621  -5.242  -4.161
  132    HA   VAL  16           HA       VAL  16   5.114  -7.158  -1.958
  133    HB   VAL  16           HB       VAL  16   2.859  -5.133  -2.083
  134   1HG1  VAL  16          1HG1      VAL  16   2.387  -5.855   0.222
  135   2HG1  VAL  16          2HG1      VAL  16   3.657  -7.074   0.095
  136   3HG1  VAL  16          3HG1      VAL  16   2.222  -7.186  -0.926
  137   1HG2  VAL  16          1HG2      VAL  16   4.005  -4.011  -0.213
  138   2HG2  VAL  16          2HG2      VAL  16   5.002  -4.032  -1.667
  139   3HG2  VAL  16          3HG2      VAL  16   5.341  -5.155  -0.350
  140    H    ALA  17           H        ALA  17   3.918  -9.019  -1.944
  141    HA   ALA  17           HA       ALA  17   2.417  -9.721  -4.301
  142   1HB   ALA  17          1HB       ALA  17   2.219 -11.924  -3.264
  143   2HB   ALA  17          2HB       ALA  17   2.874 -11.283  -1.757
  144   3HB   ALA  17          3HB       ALA  17   3.880 -11.339  -3.204
  145    H    CYS  18           H        CYS  18   0.464  -8.719  -4.455
  146    HA   CYS  18           HA       CYS  18  -1.319  -8.426  -2.216
  147   1HB   CYS  18          2HB       CYS  18  -1.291  -6.765  -4.019
  148   2HB   CYS  18          1HB       CYS  18  -1.816  -7.991  -5.169
  149    HG   CYS  18           HG       CYS  18  -3.639  -6.760  -2.553
  150    H    ASP  19           H        ASP  19  -3.704  -9.083  -2.688
  151    HA   ASP  19           HA       ASP  19  -3.670 -12.003  -3.063
  152   1HB   ASP  19          2HB       ASP  19  -5.819 -11.774  -1.591
  153   2HB   ASP  19          1HB       ASP  19  -4.230 -11.636  -0.839
  154    H    GLY  20           H        GLY  20  -4.730  -9.290  -4.691
  155   1HA   GLY  20          2HA       GLY  20  -7.046 -10.776  -5.795
  156   2HA   GLY  20          1HA       GLY  20  -7.087  -9.045  -5.529
  157    H    GLY  21           H        GLY  21  -7.292 -10.922  -7.948
  158   1HA   GLY  21          2HA       GLY  21  -5.523  -9.317  -9.699
  159   2HA   GLY  21          1HA       GLY  21  -5.618 -11.060  -9.896
  160    H    GLU  22           H        GLU  22  -8.327 -11.463  -9.557
  161    HA   GLU  22           HA       GLU  22  -9.995  -9.712 -11.052
  162   1HB   GLU  22          2HB       GLU  22  -8.778 -10.553 -12.980
  163   2HB   GLU  22          1HB       GLU  22  -9.002 -12.214 -12.453
  164   1HG   GLU  22          2HG       GLU  22 -11.425 -11.983 -12.806
  165   2HG   GLU  22          1HG       GLU  22 -11.174 -10.332 -13.367
  166    H    GLY  23           H        GLY  23 -12.223 -10.565 -11.205
  167   1HA   GLY  23          2HA       GLY  23 -13.266 -11.854  -9.040
  168   2HA   GLY  23          1HA       GLY  23 -14.013 -11.902 -10.625
  169    H    ALA  24           H        ALA  24 -12.603 -13.541 -12.130
  170    HA   ALA  24           HA       ALA  24 -12.890 -16.136 -10.852
  171   1HB   ALA  24          1HB       ALA  24 -13.765 -15.786 -13.103
  172   2HB   ALA  24          2HB       ALA  24 -12.535 -17.049 -13.092
  173   3HB   ALA  24          3HB       ALA  24 -12.140 -15.437 -13.692
  174    H    LEU  25           H        LEU  25 -10.356 -13.975 -11.113
  175    HA   LEU  25           HA       LEU  25  -8.334 -16.117 -10.870
  176   1HB   LEU  25          2HB       LEU  25  -7.958 -13.260 -11.801
  177   2HB   LEU  25          1HB       LEU  25  -6.660 -14.413 -11.562
  178    HG   LEU  25           HG       LEU  25  -8.879 -14.661 -13.607
  179   1HD1  LEU  25          1HD1      LEU  25  -5.953 -14.003 -13.957
  180   2HD1  LEU  25          2HD1      LEU  25  -7.304 -12.883 -14.154
  181   3HD1  LEU  25          3HD1      LEU  25  -7.123 -14.250 -15.256
  182   1HD2  LEU  25          1HD2      LEU  25  -7.590 -16.555 -14.471
  183   2HD2  LEU  25          2HD2      LEU  25  -8.125 -16.842 -12.816
  184   3HD2  LEU  25          3HD2      LEU  25  -6.449 -16.395 -13.133
  185    H    GLY  26           H        GLY  26  -9.789 -15.612  -8.683
  186   1HA   GLY  26          2HA       GLY  26  -8.785 -13.533  -7.010
  187   2HA   GLY  26          1HA       GLY  26  -9.751 -14.905  -6.493
  188    H    HIS  27           H        HIS  27  -7.010 -13.414  -5.796
  189    HA   HIS  27           HA       HIS  27  -5.044 -13.935  -4.787
  190   1HB   HIS  27          2HB       HIS  27  -6.703 -16.333  -3.960
  191   2HB   HIS  27          1HB       HIS  27  -5.145 -15.918  -3.243
  192    HD1  HIS  27           HD1      HIS  27  -8.290 -13.864  -3.967
  193    HD2  HIS  27           HD2      HIS  27  -5.631 -14.678  -0.885
  194    HE1  HIS  27           HE1      HIS  27  -8.937 -12.314  -2.110
  195    HE2  HIS  27           HE2      HIS  27  -7.489 -13.029  -0.169
  196    HA   PRO  28           HA       PRO  28  -3.429 -17.014  -7.853
  197   1HB   PRO  28          2HB       PRO  28  -3.088 -15.602 -10.060
  198   2HB   PRO  28          1HB       PRO  28  -4.723 -16.061  -9.561
  199   1HG   PRO  28          2HG       PRO  28  -3.361 -13.411  -9.378
  200   2HG   PRO  28          1HG       PRO  28  -5.070 -13.777  -9.660
  201   1HD   PRO  28          2HD       PRO  28  -3.815 -13.123  -7.165
  202   2HD   PRO  28          1HD       PRO  28  -5.508 -13.591  -7.431
  203    H    ARG  29           H        ARG  29  -2.104 -14.831  -5.976
  204    HA   ARG  29           HA       ARG  29  -0.187 -13.927  -5.486
  205   1HB   ARG  29          2HB       ARG  29   0.477 -16.410  -6.853
  206   2HB   ARG  29          1HB       ARG  29   1.757 -15.229  -6.822
  207   1HG   ARG  29          2HG       ARG  29   0.268 -15.797  -4.320
  208   2HG   ARG  29          1HG       ARG  29   1.496 -16.907  -4.877
  209   1HD   ARG  29          2HD       ARG  29   2.041 -13.979  -4.596
  210   2HD   ARG  29          1HD       ARG  29   2.204 -15.091  -3.236
  211    HE   ARG  29           HE       ARG  29   3.649 -15.652  -5.724
  212   1HH1  ARG  29          1HH1      ARG  29   3.774 -14.707  -2.418
  213   2HH1  ARG  29          2HH1      ARG  29   5.459 -15.058  -2.281
  214   1HH2  ARG  29          1HH2      ARG  29   5.792 -16.070  -5.539
  215   2HH2  ARG  29          2HH2      ARG  29   6.598 -15.821  -4.027
  216    H    VAL  30           H        VAL  30  -0.542 -12.077  -6.233
  217    HA   VAL  30           HA       VAL  30   0.687 -11.275  -8.816
  218    HB   VAL  30           HB       VAL  30  -0.901  -9.331  -8.838
  219   1HG1  VAL  30          1HG1      VAL  30  -1.334 -11.287 -10.223
  220   2HG1  VAL  30          2HG1      VAL  30  -2.848 -10.609  -9.618
  221   3HG1  VAL  30          3HG1      VAL  30  -2.178 -12.069  -8.884
  222   1HG2  VAL  30          1HG2      VAL  30  -2.921  -9.430  -7.454
  223   2HG2  VAL  30          2HG2      VAL  30  -1.473  -9.298  -6.455
  224   3HG2  VAL  30          3HG2      VAL  30  -2.290 -10.853  -6.624
  225    H    TRP  31           H        TRP  31   2.381  -9.931  -8.643
  226    HA   TRP  31           HA       TRP  31   2.838  -8.573  -6.074
  227   1HB   TRP  31          2HB       TRP  31   4.735  -9.283  -8.326
  228   2HB   TRP  31          1HB       TRP  31   5.202  -8.350  -6.904
  229    HD1  TRP  31           HD       TRP  31   3.590 -11.832  -7.612
  230    HE1  TRP  31           HE1      TRP  31   4.505 -13.499  -5.876
  231    HE3  TRP  31           HE3      TRP  31   6.523  -8.633  -4.906
  232    HZ2  TRP  31           HZ2      TRP  31   6.264 -13.457  -3.660
  233    HZ3  TRP  31           HZ3      TRP  31   7.800  -9.529  -2.996
  234    HH2  TRP  31           HH       TRP  31   7.668 -11.892  -2.390
  235    H    LEU  32           H        LEU  32   2.259  -6.518  -5.965
  236    HA   LEU  32           HA       LEU  32   2.033  -4.901  -8.391
  237   1HB   LEU  32          2HB       LEU  32   1.005  -4.602  -5.588
  238   2HB   LEU  32          1HB       LEU  32   1.059  -3.215  -6.657
  239    HG   LEU  32           HG       LEU  32  -0.417  -4.400  -8.255
  240   1HD1  LEU  32          1HD1      LEU  32  -1.599  -6.430  -7.536
  241   2HD1  LEU  32          2HD1      LEU  32  -0.540  -6.533  -6.130
  242   3HD1  LEU  32          3HD1      LEU  32   0.129  -6.700  -7.754
  243   1HD2  LEU  32          1HD2      LEU  32  -1.511  -4.218  -5.447
  244   2HD2  LEU  32          2HD2      LEU  32  -2.466  -4.240  -6.930
  245   3HD2  LEU  32          3HD2      LEU  32  -1.380  -2.894  -6.600
  246    H    GLN  33           H        GLN  33   2.956  -2.839  -8.603
  247    HA   GLN  33           HA       GLN  33   5.483  -2.477  -7.123
  248   1HB   GLN  33          2HB       GLN  33   5.677  -2.727  -9.584
  249   2HB   GLN  33          1HB       GLN  33   4.610  -1.347  -9.806
  250   1HG   GLN  33          2HG       GLN  33   6.756  -0.477 -10.126
  251   2HG   GLN  33          1HG       GLN  33   6.346  -0.011  -8.476
  252   1HE2  GLN  33          1HE2      GLN  33   8.446   0.143  -7.749
  253   2HE2  GLN  33          2HE2      GLN  33   9.491  -1.226  -7.588
  254    H    ILE  34           H        ILE  34   5.550  -0.879  -5.663
  255    HA   ILE  34           HA       ILE  34   3.632   1.292  -5.649
  256    HB   ILE  34           HB       ILE  34   6.038   0.797  -3.871
  257   1HG1  ILE  34          2HG1      ILE  34   3.080   0.353  -3.340
  258   2HG1  ILE  34          1HG1      ILE  34   4.250  -0.920  -3.673
  259   1HG2  ILE  34          1HG2      ILE  34   5.001   2.477  -2.374
  260   2HG2  ILE  34          2HG2      ILE  34   3.794   2.811  -3.614
  261   3HG2  ILE  34          3HG2      ILE  34   5.496   3.163  -3.921
  262   1HD1  ILE  34          1HD1      ILE  34   4.259   0.921  -1.295
  263   2HD1  ILE  34          2HD1      ILE  34   5.457  -0.330  -1.628
  264   3HD1  ILE  34          3HD1      ILE  34   3.781  -0.776  -1.307
  265    HA   PRO  35           HA       PRO  35   6.484   3.667  -8.233
  266   1HB   PRO  35          2HB       PRO  35   4.754   5.479  -9.113
  267   2HB   PRO  35          1HB       PRO  35   4.563   3.783  -9.581
  268   1HG   PRO  35          2HG       PRO  35   3.148   5.307  -7.409
  269   2HG   PRO  35          1HG       PRO  35   2.446   4.260  -8.657
  270   1HD   PRO  35          2HD       PRO  35   2.991   3.420  -6.101
  271   2HD   PRO  35          1HD       PRO  35   2.982   2.333  -7.504
  272    H    GLU  36           H        GLU  36   7.815   5.409  -7.798
  273    HA   GLU  36           HA       GLU  36   7.450   7.038  -5.488
  274   1HB   GLU  36          2HB       GLU  36   9.370   7.078  -7.797
  275   2HB   GLU  36          1HB       GLU  36   9.313   8.443  -6.691
  276   1HG   GLU  36          2HG       GLU  36   9.823   5.583  -5.886
  277   2HG   GLU  36          1HG       GLU  36  11.063   6.815  -6.110
  278    H    ASP  37           H        ASP  37   5.945   7.129  -8.467
  279    HA   ASP  37           HA       ASP  37   5.364   9.875  -8.751
  280   1HB   ASP  37          2HB       ASP  37   4.842   8.181 -10.471
  281   2HB   ASP  37          1HB       ASP  37   3.655   7.449  -9.397
  282    H    THR  38           H        THR  38   3.330   7.316  -7.308
  283    HA   THR  38           HA       THR  38   1.766   9.292  -5.815
  284    HB   THR  38           HB       THR  38   0.301   7.384  -5.242
  285    HG1  THR  38           HG1      THR  38   0.797   5.327  -5.892
  286   1HG2  THR  38          1HG2      THR  38  -0.486   6.842  -7.524
  287   2HG2  THR  38          2HG2      THR  38   0.999   7.527  -8.185
  288   3HG2  THR  38          3HG2      THR  38  -0.147   8.562  -7.335
  289    H    GLY  39           H        GLY  39   3.704   6.370  -5.127
  290   1HA   GLY  39          2HA       GLY  39   5.090   6.131  -3.197
  291   2HA   GLY  39          1HA       GLY  39   4.102   7.323  -2.367
  292    H    TRP  40           H        TRP  40   2.067   5.274  -3.977
  293    HA   TRP  40           HA       TRP  40   1.891   3.170  -1.995
  294   1HB   TRP  40          2HB       TRP  40  -0.394   3.787  -1.255
  295   2HB   TRP  40          1HB       TRP  40   0.794   5.011  -0.810
  296    HD1  TRP  40           HD       TRP  40   0.714   7.359  -2.164
  297    HE1  TRP  40           HE1      TRP  40  -1.196   8.502  -3.462
  298    HE3  TRP  40           HE3      TRP  40  -2.429   3.352  -2.681
  299    HZ2  TRP  40           HZ2      TRP  40  -3.707   7.798  -4.539
  300    HZ3  TRP  40           HZ3      TRP  40  -4.563   3.678  -3.857
  301    HH2  TRP  40           HH       TRP  40  -5.189   5.851  -4.767
  302    H    VAL  41           H        VAL  41   0.095   1.633  -2.479
  303    HA   VAL  41           HA       VAL  41  -1.274   1.982  -5.046
  304    HB   VAL  41           HB       VAL  41   0.837   0.765  -5.562
  305   1HG1  VAL  41          1HG1      VAL  41   1.121  -1.559  -4.805
  306   2HG1  VAL  41          2HG1      VAL  41  -0.276  -1.379  -3.747
  307   3HG1  VAL  41          3HG1      VAL  41   1.172  -0.408  -3.469
  308   1HG2  VAL  41          1HG2      VAL  41  -1.682  -0.864  -5.910
  309   2HG2  VAL  41          2HG2      VAL  41  -0.192  -1.072  -6.827
  310   3HG2  VAL  41          3HG2      VAL  41  -1.111   0.425  -6.969
  311    H    GLU  42           H        GLU  42  -3.191   0.565  -5.240
  312    HA   GLU  42           HA       GLU  42  -4.023  -0.479  -2.599
  313   1HB   GLU  42          2HB       GLU  42  -6.285   0.389  -3.002
  314   2HB   GLU  42          1HB       GLU  42  -5.085   1.671  -2.964
  315   1HG   GLU  42          2HG       GLU  42  -5.115   1.798  -5.394
  316   2HG   GLU  42          1HG       GLU  42  -6.280   0.479  -5.463
  317    H    CYS  43           H        CYS  43  -5.342  -2.254  -2.500
  318    HA   CYS  43           HA       CYS  43  -5.719  -3.800  -4.973
  319   1HB   CYS  43          2HB       CYS  43  -4.594  -5.072  -3.268
  320   2HB   CYS  43          1HB       CYS  43  -5.780  -4.607  -2.053
  321    HG   CYS  43           HG       CYS  43  -6.010  -7.365  -2.830
  322    HA   PRO  44           HA       PRO  44  -9.975  -2.312  -4.427
  323   1HB   PRO  44          2HB       PRO  44 -10.809  -2.735  -6.959
  324   2HB   PRO  44          1HB       PRO  44  -9.752  -1.383  -6.531
  325   1HG   PRO  44          2HG       PRO  44  -9.056  -4.010  -7.785
  326   2HG   PRO  44          1HG       PRO  44  -8.451  -2.392  -8.170
  327   1HD   PRO  44          2HD       PRO  44  -7.093  -4.223  -6.624
  328   2HD   PRO  44          1HD       PRO  44  -6.855  -2.468  -6.517
  329    H    TYR  45           H        TYR  45  -8.826  -5.418  -4.742
  330    HA   TYR  45           HA       TYR  45 -11.387  -6.714  -5.255
  331   1HB   TYR  45          2HB       TYR  45  -8.693  -7.983  -4.683
  332   2HB   TYR  45          1HB       TYR  45 -10.125  -8.786  -5.332
  333    HD1  TYR  45           HD2      TYR  45 -10.851  -8.375  -7.634
  334    HD2  TYR  45           HD1      TYR  45  -7.305  -6.581  -6.114
  335    HE1  TYR  45           HE2      TYR  45 -10.164  -7.804  -9.924
  336    HE2  TYR  45           HE1      TYR  45  -6.611  -5.998  -8.400
  337    HH   TYR  45           HH       TYR  45  -7.062  -6.823 -10.733
  338    H    CYS  46           H        CYS  46  -8.883  -7.314  -2.743
  339    HA   CYS  46           HA       CYS  46 -11.074  -7.832  -0.842
  340   1HB   CYS  46          2HB       CYS  46  -9.421  -9.646  -1.190
  341   2HB   CYS  46          1HB       CYS  46  -8.152  -8.578  -0.601
  342    HG   CYS  46           HG       CYS  46  -8.591  -8.860   1.942
  343    H    ASP  47           H        ASP  47  -9.321  -5.262  -1.697
  344    HA   ASP  47           HA       ASP  47  -9.050  -3.212  -0.791
  345   1HB   ASP  47          2HB       ASP  47 -10.514  -4.382   1.580
  346   2HB   ASP  47          1HB       ASP  47 -10.108  -2.677   1.397
  347    H    CYS  48           H        CYS  48  -6.906  -3.003  -0.667
  348    HA   CYS  48           HA       CYS  48  -5.740  -2.860   1.958
  349   1HB   CYS  48          2HB       CYS  48  -4.737  -4.913  -0.014
  350   2HB   CYS  48          1HB       CYS  48  -3.670  -4.219   1.203
  351    HG   CYS  48           HG       CYS  48  -6.524  -5.994   1.866
  352    H    LYS  49           H        LYS  49  -4.665  -0.967   1.959
  353    HA   LYS  49           HA       LYS  49  -3.543   0.052  -0.569
  354   1HB   LYS  49          2HB       LYS  49  -5.072   1.558   0.603
  355   2HB   LYS  49          1HB       LYS  49  -4.103   1.447   2.064
  356   1HG   LYS  49          2HG       LYS  49  -2.218   2.513   0.875
  357   2HG   LYS  49          1HG       LYS  49  -3.239   2.672  -0.555
  358   1HD   LYS  49          2HD       LYS  49  -4.793   4.093   0.708
  359   2HD   LYS  49          1HD       LYS  49  -3.789   3.916   2.149
  360   1HE   LYS  49          2HE       LYS  49  -1.926   5.015   0.986
  361   2HE   LYS  49          1HE       LYS  49  -2.925   5.185  -0.456
  362   1HZ   LYS  49          1HZ       LYS  49  -2.864   7.228   0.826
  363   2HZ   LYS  49          2HZ       LYS  49  -3.475   6.427   2.181
  364   3HZ   LYS  49          3HZ       LYS  49  -4.433   6.594   0.799
  365    H    TYR  50           H        TYR  50  -1.444  -0.431  -0.885
  366    HA   TYR  50           HA       TYR  50   0.307  -0.981   1.389
  367   1HB   TYR  50          2HB       TYR  50   0.939  -1.256  -1.564
  368   2HB   TYR  50          1HB       TYR  50   1.798  -1.990  -0.213
  369    HD1  TYR  50           HD2      TYR  50  -1.183  -2.167  -2.350
  370    HD2  TYR  50           HD1      TYR  50   0.892  -3.975   0.910
  371    HE1  TYR  50           HE2      TYR  50  -2.602  -4.165  -2.558
  372    HE2  TYR  50           HE1      TYR  50  -0.528  -5.972   0.699
  373    HH   TYR  50           HH       TYR  50  -2.631  -6.663  -0.174
  374    H    VAL  51           H        VAL  51   1.203   0.819   2.251
  375    HA   VAL  51           HA       VAL  51   2.106   2.988   0.467
  376    HB   VAL  51           HB       VAL  51   1.794   2.949   3.481
  377   1HG1  VAL  51          1HG1      VAL  51   3.583   4.474   2.778
  378   2HG1  VAL  51          2HG1      VAL  51   2.189   5.362   3.392
  379   3HG1  VAL  51          3HG1      VAL  51   2.476   5.262   1.652
  380   1HG2  VAL  51          1HG2      VAL  51  -0.119   4.436   3.083
  381   2HG2  VAL  51          2HG2      VAL  51  -0.344   2.876   2.293
  382   3HG2  VAL  51          3HG2      VAL  51   0.121   4.286   1.339
  383    H    LEU  52           H        LEU  52   4.221   3.406   0.107
  384    HA   LEU  52           HA       LEU  52   6.217   1.626   1.209
  385   1HB   LEU  52          2HB       LEU  52   6.336   2.216  -1.134
  386   2HB   LEU  52          1HB       LEU  52   6.427   3.923  -0.741
  387    HG   LEU  52           HG       LEU  52   8.634   3.533   0.325
  388   1HD1  LEU  52          1HD1      LEU  52   8.332   0.733  -0.767
  389   2HD1  LEU  52          2HD1      LEU  52   8.362   1.190   0.937
  390   3HD1  LEU  52          3HD1      LEU  52   9.798   1.412  -0.060
  391   1HD2  LEU  52          1HD2      LEU  52   8.420   2.622  -2.544
  392   2HD2  LEU  52          2HD2      LEU  52   9.886   3.209  -1.758
  393   3HD2  LEU  52          3HD2      LEU  52   8.512   4.292  -1.985
  394    H    LYS  53           H        LYS  53   7.256   1.963   3.051
  395    HA   LYS  53           HA       LYS  53   7.252   4.422   4.483
  396   1HB   LYS  53          2HB       LYS  53   7.411   2.213   5.573
  397   2HB   LYS  53          1HB       LYS  53   8.993   1.968   4.852
  398   1HG   LYS  53          2HG       LYS  53   9.874   3.870   6.124
  399   2HG   LYS  53          1HG       LYS  53   8.279   4.115   6.853
  400   1HD   LYS  53          2HD       LYS  53   8.383   1.868   7.834
  401   2HD   LYS  53          1HD       LYS  53   9.969   1.615   7.102
  402   1HE   LYS  53          2HE       LYS  53  10.863   3.481   8.426
  403   2HE   LYS  53          1HE       LYS  53   9.275   3.711   9.163
  404   1HZ   LYS  53          1HZ       LYS  53   9.437   1.434  10.029
  405   2HZ   LYS  53          2HZ       LYS  53  10.658   2.435  10.620
  406   3HZ   LYS  53          3HZ       LYS  53  11.007   1.308   9.405
  407    H    GLY  54           H        GLY  54   8.340   6.175   3.807
  408   1HA   GLY  54          2HA       GLY  54  10.601   7.171   3.640
  409   2HA   GLY  54          1HA       GLY  54  11.033   5.812   2.611
  410    H    SER  55           H        SER  55   8.110   6.222   1.532
  411    HA   SER  55           HA       SER  55   8.884   7.883  -0.714
  412   1HB   SER  55          2HB       SER  55   6.800   7.225  -1.714
  413   2HB   SER  55          1HB       SER  55   7.458   5.797  -0.913
  414    HG   SER  55           HG       SER  55   5.758   5.754   0.318
  415    H    LYS  56           H        LYS  56   6.817   9.327  -1.502
  416    HA   LYS  56           HA       LYS  56   6.740  11.526   0.332
  417   1HB   LYS  56          2HB       LYS  56   5.135  11.136  -2.203
  418   2HB   LYS  56          1HB       LYS  56   5.371  12.651  -1.343
  419   1HG   LYS  56          2HG       LYS  56   7.826  12.419  -1.793
  420   2HG   LYS  56          1HG       LYS  56   7.444  11.042  -2.828
  421   1HD   LYS  56          2HD       LYS  56   6.519  13.894  -3.181
  422   2HD   LYS  56          1HD       LYS  56   7.675  13.022  -4.188
  423   1HE   LYS  56          2HE       LYS  56   4.740  12.377  -3.867
  424   2HE   LYS  56          1HE       LYS  56   5.494  13.125  -5.273
  425   1HZ   LYS  56          1HZ       LYS  56   6.052  10.389  -4.264
  426   2HZ   LYS  56          2HZ       LYS  56   6.778  11.106  -5.611
  427   3HZ   LYS  56          3HZ       LYS  56   5.122  10.771  -5.621
  428    H    ALA  57           H        ALA  57   4.761   8.760  -0.104
  429    HA   ALA  57           HA       ALA  57   2.236   9.916   0.617
  430   1HB   ALA  57          1HB       ALA  57   2.397   7.857  -0.714
  431   2HB   ALA  57          2HB       ALA  57   1.434   7.618   0.744
  432   3HB   ALA  57          3HB       ALA  57   3.093   7.016   0.673
  433    H    ASP  58           H        ASP  58   4.572   7.884   2.371
  434    HA   ASP  58           HA       ASP  58   3.206   8.148   4.880
  435   1HB   ASP  58          2HB       ASP  58   4.587   6.183   4.304
  436   2HB   ASP  58          1HB       ASP  58   6.024   7.198   4.297
  437    H    ALA  59           H        ALA  59   5.790   9.841   3.241
  438    HA   ALA  59           HA       ALA  59   6.814  11.274   5.455
  439   1HB   ALA  59          1HB       ALA  59   7.895  12.696   3.814
  440   2HB   ALA  59          2HB       ALA  59   6.856  12.055   2.541
  441   3HB   ALA  59          3HB       ALA  59   8.029  11.003   3.333
  442    H    LEU  60           H        LEU  60   4.371  12.129   3.011
  443    HA   LEU  60           HA       LEU  60   2.777  13.731   2.894
  444   1HB   LEU  60          2HB       LEU  60   3.311  14.125   5.842
  445   2HB   LEU  60          1HB       LEU  60   1.979  14.849   4.960
  446    HG   LEU  60           HG       LEU  60   2.404  11.884   5.405
  447   1HD1  LEU  60          1HD1      LEU  60   0.335  13.774   6.537
  448   2HD1  LEU  60          2HD1      LEU  60   1.697  13.081   7.420
  449   3HD1  LEU  60          3HD1      LEU  60   0.417  12.033   6.812
  450   1HD2  LEU  60          1HD2      LEU  60   0.189  11.619   4.378
  451   2HD2  LEU  60          2HD2      LEU  60   1.355  12.300   3.242
  452   3HD2  LEU  60          3HD2      LEU  60   0.154  13.343   4.009
  453    H    GLU  61           H        GLU  61   5.799  14.692   4.406
  454    HA   GLU  61           HA       GLU  61   5.631  17.455   3.575
  455   1HB   GLU  61          2HB       GLU  61   8.157  15.970   4.297
  456   2HB   GLU  61          1HB       GLU  61   7.803  17.678   4.492
  457   1HG   GLU  61          2HG       GLU  61   6.394  17.264   6.353
  458   2HG   GLU  61          1HG       GLU  61   6.398  15.525   6.047
  459    H    HIS  62           H        HIS  62   5.467  15.183   1.512
  460    HA   HIS  62           HA       HIS  62   6.555  14.155  -0.197
  461   1HB   HIS  62          2HB       HIS  62   7.242  15.650  -2.006
  462   2HB   HIS  62          1HB       HIS  62   5.730  16.176  -1.289
  463    HD1  HIS  62           HD1      HIS  62   9.356  17.123  -1.557
  464    HD2  HIS  62           HD2      HIS  62   5.757  18.754  -0.260
  465    HE1  HIS  62           HE1      HIS  62   9.825  19.556  -1.156
  466    HE2  HIS  62           HE2      HIS  62   7.603  20.548  -0.518
  467    H    HIS  63           H        HIS  63   7.999  14.121   2.122
  468    HA   HIS  63           HA       HIS  63   9.919  13.237   2.860
  469   1HB   HIS  63          2HB       HIS  63  10.173  12.457   0.401
  470   2HB   HIS  63          1HB       HIS  63  11.356  13.753   0.272
  471    HD1  HIS  63           HD1      HIS  63  10.717  10.600   2.303
  472    HD2  HIS  63           HD2      HIS  63  13.853  13.102   1.211
  473    HE1  HIS  63           HE1      HIS  63  12.790   9.476   3.133
  474    HE2  HIS  63           HE2      HIS  63  14.638  11.106   2.653
  475    H    HIS  64           H        HIS  64  10.210  16.288   1.064
  476    HA   HIS  64           HA       HIS  64  10.855  18.344   1.815
  477   1HB   HIS  64          2HB       HIS  64   9.740  17.673   3.914
  478   2HB   HIS  64          1HB       HIS  64  11.238  16.958   4.486
  479    HD1  HIS  64           HD1      HIS  64   9.472  20.206   4.104
  480    HD2  HIS  64           HD2      HIS  64  13.187  18.827   5.351
  481    HE1  HIS  64           HE1      HIS  64  10.529  22.128   5.318
  482    HE2  HIS  64           HE2      HIS  64  12.702  21.216   6.194
  483    H    HIS  65           H        HIS  65  12.757  19.581   1.834
  484    HA   HIS  65           HA       HIS  65  15.204  18.333   1.209
  485   1HB   HIS  65          2HB       HIS  65  14.689  21.147   2.204
  486   2HB   HIS  65          1HB       HIS  65  16.237  20.586   1.587
  487    HD1  HIS  65           HD1      HIS  65  13.838  22.708   0.502
  488    HD2  HIS  65           HD2      HIS  65  15.365  19.239  -1.212
  489    HE1  HIS  65           HE1      HIS  65  13.417  22.932  -1.959
  490    HE2  HIS  65           HE2      HIS  65  14.496  20.906  -2.989
  491    H    HIS  66           H        HIS  66  16.068  16.908   2.673
  492    HA   HIS  66           HA       HIS  66  16.550  17.843   5.415
  493   1HB   HIS  66          2HB       HIS  66  16.899  15.124   4.135
  494   2HB   HIS  66          1HB       HIS  66  17.406  15.497   5.780
  495    HD1  HIS  66           HD1      HIS  66  15.348  16.461   7.347
  496    HD2  HIS  66           HD2      HIS  66  14.326  14.224   3.991
  497    HE1  HIS  66           HE1      HIS  66  13.000  15.675   7.748
  498    HE2  HIS  66           HE2      HIS  66  12.461  14.208   5.783
  499    H    HIS  67           H        HIS  67  18.102  17.819   2.446
  500    HA   HIS  67           HA       HIS  67  20.715  18.300   3.746
  501   1HB   HIS  67          2HB       HIS  67  20.194  17.063   1.027
  502   2HB   HIS  67          1HB       HIS  67  21.783  17.517   1.633
  503    HD1  HIS  67           HD1      HIS  67  19.040  15.016   2.150
  504    HD2  HIS  67           HD2      HIS  67  22.921  15.732   3.433
  505    HE1  HIS  67           HE1      HIS  67  19.733  12.938   3.368
  506    HE2  HIS  67           HE2      HIS  67  21.993  13.486   4.317

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  -0.290  25.616   6.677
    2   2H    MET   1          2H        MET   1   0.597  24.569   5.694
    3   3H    MET   1          3H        MET   1  -1.091  24.553   5.637
    4    HA   MET   1           HA       MET   1  -1.144  26.771   4.735
    5   1HB   MET   1          2HB       MET   1   1.877  26.556   4.831
    6   2HB   MET   1          1HB       MET   1   0.986  27.848   4.035
    7   1HG   MET   1          2HG       MET   1   1.838  28.512   6.235
    8   2HG   MET   1          1HG       MET   1   0.076  28.578   6.157
    9   1HE   MET   1          1HE       MET   1  -0.029  28.701   8.814
   10   2HE   MET   1          2HE       MET   1   1.732  28.624   8.896
   11   3HE   MET   1          3HE       MET   1   0.754  27.533   9.877
   12    H    THR   2           H        THR   2   1.174  24.209   3.896
   13    HA   THR   2           HA       THR   2   0.960  24.602   1.060
   14    HB   THR   2           HB       THR   2   2.226  22.425   0.922
   15    HG1  THR   2           HG1      THR   2   3.051  22.071   3.343
   16   1HG2  THR   2          1HG2      THR   2   3.387  24.496   2.804
   17   2HG2  THR   2          2HG2      THR   2   3.438  24.562   1.041
   18   3HG2  THR   2          3HG2      THR   2   4.306  23.291   1.902
   19    H    ILE   3           H        ILE   3  -1.227  23.350   3.130
   20    HA   ILE   3           HA       ILE   3  -2.743  21.711   3.220
   21    HB   ILE   3           HB       ILE   3  -4.239  21.459   1.270
   22   1HG1  ILE   3          2HG1      ILE   3  -3.809  23.153  -0.647
   23   2HG1  ILE   3          1HG1      ILE   3  -2.125  23.086  -0.151
   24   1HG2  ILE   3          1HG2      ILE   3  -3.463  24.294   1.940
   25   2HG2  ILE   3          2HG2      ILE   3  -4.548  23.256   2.866
   26   3HG2  ILE   3          3HG2      ILE   3  -5.002  23.782   1.246
   27   1HD1  ILE   3          1HD1      ILE   3  -2.089  20.690  -0.606
   28   2HD1  ILE   3          2HD1      ILE   3  -2.573  21.611  -2.028
   29   3HD1  ILE   3          3HD1      ILE   3  -3.786  20.753  -1.079
   30    H    GLN   4           H        GLN   4   0.054  20.910   2.260
   31    HA   GLN   4           HA       GLN   4   1.213  19.045   1.783
   32   1HB   GLN   4          2HB       GLN   4  -1.307  17.703   2.802
   33   2HB   GLN   4          1HB       GLN   4   0.279  16.947   2.685
   34   1HG   GLN   4          2HG       GLN   4   1.177  18.516   4.314
   35   2HG   GLN   4          1HG       GLN   4  -0.372  19.351   4.392
   36   1HE2  GLN   4          1HE2      GLN   4  -0.019  15.872   4.223
   37   2HE2  GLN   4          2HE2      GLN   4  -0.606  15.555   5.812
   38    H    ALA   5           H        ALA   5   0.494  16.475   0.852
   39    HA   ALA   5           HA       ALA   5  -0.999  16.861  -1.626
   40   1HB   ALA   5          1HB       ALA   5   1.253  17.650  -2.192
   41   2HB   ALA   5          2HB       ALA   5   0.830  16.188  -3.084
   42   3HB   ALA   5          3HB       ALA   5   1.919  16.091  -1.701
   43    HA   PRO   6           HA       PRO   6  -1.629  12.539  -0.047
   44   1HB   PRO   6          2HB       PRO   6  -4.229  12.988  -1.420
   45   2HB   PRO   6          1HB       PRO   6  -3.905  12.370   0.204
   46   1HG   PRO   6          2HG       PRO   6  -4.878  14.835  -0.152
   47   2HG   PRO   6          1HG       PRO   6  -3.685  14.495   1.117
   48   1HD   PRO   6          2HD       PRO   6  -3.272  15.759  -1.578
   49   2HD   PRO   6          1HD       PRO   6  -2.593  16.221  -0.002
   50    H    GLU   7           H        GLU   7  -0.014  11.944  -1.617
   51    HA   GLU   7           HA       GLU   7  -0.801  11.680  -4.404
   52   1HB   GLU   7          2HB       GLU   7   1.434  12.482  -3.887
   53   2HB   GLU   7          1HB       GLU   7   1.778  11.028  -2.962
   54   1HG   GLU   7          2HG       GLU   7   1.767   9.681  -4.936
   55   2HG   GLU   7          1HG       GLU   7   1.167  11.019  -5.911
   56    H    THR   8           H        THR   8  -2.317  10.063  -4.564
   57    HA   THR   8           HA       THR   8  -2.040   7.503  -3.293
   58    HB   THR   8           HB       THR   8  -3.872   8.283  -5.584
   59    HG1  THR   8           HG1      THR   8  -5.405   8.294  -3.665
   60   1HG2  THR   8          1HG2      THR   8  -4.009   5.966  -3.642
   61   2HG2  THR   8          2HG2      THR   8  -3.639   5.860  -5.363
   62   3HG2  THR   8          3HG2      THR   8  -5.241   6.376  -4.838
   63    H    LYS   9           H        LYS   9  -0.954   5.744  -4.002
   64    HA   LYS   9           HA       LYS   9  -0.393   5.446  -6.870
   65   1HB   LYS   9          2HB       LYS   9   1.681   5.620  -4.694
   66   2HB   LYS   9          1HB       LYS   9   1.995   4.686  -6.151
   67   1HG   LYS   9          2HG       LYS   9   1.706   6.649  -7.530
   68   2HG   LYS   9          1HG       LYS   9   1.240   7.608  -6.125
   69   1HD   LYS   9          2HD       LYS   9   3.438   7.484  -5.207
   70   2HD   LYS   9          1HD       LYS   9   3.927   6.251  -6.373
   71   1HE   LYS   9          2HE       LYS   9   3.828   7.829  -8.180
   72   2HE   LYS   9          1HE       LYS   9   3.110   9.057  -7.137
   73   1HZ   LYS   9          1HZ       LYS   9   5.821   7.921  -6.745
   74   2HZ   LYS   9          2HZ       LYS   9   5.133   9.230  -5.919
   75   3HZ   LYS   9          3HZ       LYS   9   5.507   9.368  -7.564
   76    H    ILE  10           H        ILE  10  -0.861   3.468  -7.532
   77    HA   ILE  10           HA       ILE  10  -1.439   1.399  -5.561
   78    HB   ILE  10           HB       ILE  10  -1.933   1.486  -8.550
   79   1HG1  ILE  10          2HG1      ILE  10  -4.363   1.491  -7.761
   80   2HG1  ILE  10          1HG1      ILE  10  -3.748   1.800  -6.141
   81   1HG2  ILE  10          1HG2      ILE  10  -1.547  -0.816  -7.863
   82   2HG2  ILE  10          2HG2      ILE  10  -3.252  -0.571  -8.237
   83   3HG2  ILE  10          3HG2      ILE  10  -2.721  -0.645  -6.556
   84   1HD1  ILE  10          1HD1      ILE  10  -2.788   3.900  -6.898
   85   2HD1  ILE  10          2HD1      ILE  10  -4.514   3.832  -7.245
   86   3HD1  ILE  10          3HD1      ILE  10  -3.344   3.578  -8.540
   87    H    VAL  11           H        VAL  11   0.019  -0.112  -5.030
   88    HA   VAL  11           HA       VAL  11   2.294  -0.594  -6.854
   89    HB   VAL  11           HB       VAL  11   2.160  -1.323  -3.927
   90   1HG1  VAL  11          1HG1      VAL  11   4.487  -1.029  -5.830
   91   2HG1  VAL  11          2HG1      VAL  11   3.856  -2.532  -5.154
   92   3HG1  VAL  11          3HG1      VAL  11   4.624  -1.345  -4.099
   93   1HG2  VAL  11          1HG2      VAL  11   3.421   0.719  -3.445
   94   2HG2  VAL  11          2HG2      VAL  11   1.846   1.097  -4.146
   95   3HG2  VAL  11          3HG2      VAL  11   3.302   1.202  -5.137
   96    H    ASP  12           H        ASP  12   3.104  -2.776  -7.068
   97    HA   ASP  12           HA       ASP  12   0.945  -4.664  -7.426
   98   1HB   ASP  12          2HB       ASP  12   2.792  -4.268  -9.104
   99   2HB   ASP  12          1HB       ASP  12   3.894  -5.062  -7.984
  100    H    LYS  13           H        LYS  13   3.825  -4.365  -5.413
  101    HA   LYS  13           HA       LYS  13   3.065  -6.776  -3.922
  102   1HB   LYS  13          2HB       LYS  13   5.641  -5.251  -4.161
  103   2HB   LYS  13          1HB       LYS  13   5.354  -6.255  -2.748
  104   1HG   LYS  13          2HG       LYS  13   6.621  -7.494  -4.373
  105   2HG   LYS  13          1HG       LYS  13   5.014  -8.202  -4.219
  106   1HD   LYS  13          2HD       LYS  13   4.319  -6.999  -6.268
  107   2HD   LYS  13          1HD       LYS  13   5.958  -6.365  -6.429
  108   1HE   LYS  13          2HE       LYS  13   6.814  -8.663  -6.624
  109   2HE   LYS  13          1HE       LYS  13   5.171  -9.285  -6.478
  110   1HZ   LYS  13          1HZ       LYS  13   5.870  -9.194  -8.775
  111   2HZ   LYS  13          2HZ       LYS  13   6.174  -7.537  -8.656
  112   3HZ   LYS  13          3HZ       LYS  13   4.593  -8.118  -8.514
  113    H    SER  14           H        SER  14   3.300  -6.674  -1.513
  114    HA   SER  14           HA       SER  14   1.706  -4.470  -0.549
  115   1HB   SER  14          2HB       SER  14   2.805  -6.866   0.940
  116   2HB   SER  14          1HB       SER  14   1.612  -5.727   1.568
  117    HG   SER  14           HG       SER  14   0.684  -7.658   0.674
  118    H    ARG  15           H        ARG  15   5.033  -5.638   0.072
  119    HA   ARG  15           HA       ARG  15   5.484  -3.374   1.848
  120   1HB   ARG  15          2HB       ARG  15   7.666  -4.262   2.275
  121   2HB   ARG  15          1HB       ARG  15   6.515  -5.585   2.332
  122   1HG   ARG  15          2HG       ARG  15   7.206  -6.251   0.058
  123   2HG   ARG  15          1HG       ARG  15   8.403  -4.957   0.068
  124   1HD   ARG  15          2HD       ARG  15   9.362  -6.006   2.157
  125   2HD   ARG  15          1HD       ARG  15   8.299  -7.382   1.862
  126    HE   ARG  15           HE       ARG  15  10.520  -6.533   0.116
  127   1HH1  ARG  15          1HH1      ARG  15   8.328  -8.961   1.220
  128   2HH1  ARG  15          2HH1      ARG  15   9.126 -10.219   0.343
  129   1HH2  ARG  15          1HH2      ARG  15  11.554  -8.168  -0.952
  130   2HH2  ARG  15          2HH2      ARG  15  10.924  -9.781  -0.866
  131    H    VAL  16           H        VAL  16   6.092  -1.443   1.194
  132    HA   VAL  16           HA       VAL  16   7.042  -1.127  -1.586
  133    HB   VAL  16           HB       VAL  16   5.539   0.901   0.087
  134   1HG1  VAL  16          1HG1      VAL  16   6.932   1.922  -1.631
  135   2HG1  VAL  16          2HG1      VAL  16   5.226   2.078  -2.052
  136   3HG1  VAL  16          3HG1      VAL  16   6.226   0.868  -2.857
  137   1HG2  VAL  16          1HG2      VAL  16   3.584   0.370  -1.298
  138   2HG2  VAL  16          2HG2      VAL  16   4.119  -1.032  -0.373
  139   3HG2  VAL  16          3HG2      VAL  16   4.495  -0.916  -2.093
  140    H    ALA  17           H        ALA  17   9.032  -0.344  -1.868
  141    HA   ALA  17           HA       ALA  17  10.561   0.738   0.318
  142   1HB   ALA  17          1HB       ALA  17  12.407   0.837  -1.254
  143   2HB   ALA  17          2HB       ALA  17  11.310   0.548  -2.605
  144   3HB   ALA  17          3HB       ALA  17  11.579  -0.714  -1.402
  145    H    CYS  18           H        CYS  18   9.296   2.625   0.822
  146    HA   CYS  18           HA       CYS  18   9.082   4.746  -1.151
  147   1HB   CYS  18          2HB       CYS  18   7.255   4.356   0.462
  148   2HB   CYS  18          1HB       CYS  18   8.346   4.751   1.788
  149    HG   CYS  18           HG       CYS  18   6.388   6.810   0.943
  150    H    ASP  19           H        ASP  19   9.595   7.058  -0.086
  151    HA   ASP  19           HA       ASP  19  12.322   6.965   1.019
  152   1HB   ASP  19          2HB       ASP  19  11.419   8.577  -1.377
  153   2HB   ASP  19          1HB       ASP  19  12.966   8.790  -0.562
  154    H    GLY  20           H        GLY  20   9.974   9.497  -0.004
  155   1HA   GLY  20          2HA       GLY  20   9.169  10.440   2.428
  156   2HA   GLY  20          1HA       GLY  20  10.760  11.159   2.233
  157    H    GLY  21           H        GLY  21  10.035  13.287   2.110
  158   1HA   GLY  21          2HA       GLY  21   8.110  13.988  -0.003
  159   2HA   GLY  21          1HA       GLY  21   8.663  15.046   1.282
  160    H    GLU  22           H        GLU  22  10.161  16.541   0.761
  161    HA   GLU  22           HA       GLU  22  11.462  16.579  -1.795
  162   1HB   GLU  22          2HB       GLU  22  11.751  18.235   0.714
  163   2HB   GLU  22          1HB       GLU  22  12.788  18.486  -0.682
  164   1HG   GLU  22          2HG       GLU  22  10.878  20.053  -0.571
  165   2HG   GLU  22          1HG       GLU  22  10.928  19.100  -2.050
  166    H    GLY  23           H        GLY  23  13.855  16.638  -2.053
  167   1HA   GLY  23          2HA       GLY  23  15.251  14.432  -1.255
  168   2HA   GLY  23          1HA       GLY  23  16.023  15.956  -1.647
  169    H    ALA  24           H        ALA  24  15.372  17.571   0.437
  170    HA   ALA  24           HA       ALA  24  17.064  16.544   2.533
  171   1HB   ALA  24          1HB       ALA  24  15.624  19.193   2.337
  172   2HB   ALA  24          2HB       ALA  24  17.258  18.859   1.760
  173   3HB   ALA  24          3HB       ALA  24  16.901  18.784   3.484
  174    H    LEU  25           H        LEU  25  13.835  16.144   1.981
  175    HA   LEU  25           HA       LEU  25  13.154  16.064   4.852
  176   1HB   LEU  25          2HB       LEU  25  11.330  16.423   2.464
  177   2HB   LEU  25          1HB       LEU  25  10.779  16.236   4.119
  178    HG   LEU  25           HG       LEU  25  12.419  18.538   3.031
  179   1HD1  LEU  25          1HD1      LEU  25   9.573  18.421   4.030
  180   2HD1  LEU  25          2HD1      LEU  25  10.083  18.629   2.356
  181   3HD1  LEU  25          3HD1      LEU  25  10.435  19.882   3.545
  182   1HD2  LEU  25          1HD2      LEU  25  11.380  18.096   5.835
  183   2HD2  LEU  25          2HD2      LEU  25  12.207  19.538   5.245
  184   3HD2  LEU  25          3HD2      LEU  25  13.070  18.004   5.337
  185    H    GLY  26           H        GLY  26  14.580  13.995   3.889
  186   1HA   GLY  26          2HA       GLY  26  13.919  11.766   4.877
  187   2HA   GLY  26          1HA       GLY  26  12.593  11.805   3.726
  188    H    HIS  27           H        HIS  27  13.072  10.098   2.469
  189    HA   HIS  27           HA       HIS  27  13.983   8.929   0.764
  190   1HB   HIS  27          2HB       HIS  27  15.667  11.422   0.436
  191   2HB   HIS  27          1HB       HIS  27  15.728  10.054  -0.675
  192    HD1  HIS  27           HD1      HIS  27  12.810  11.957   0.859
  193    HD2  HIS  27           HD2      HIS  27  14.230  10.725  -2.842
  194    HE1  HIS  27           HE1      HIS  27  10.984  12.525  -0.767
  195    HE2  HIS  27           HE2      HIS  27  11.971  11.977  -3.026
  196    HA   PRO  28           HA       PRO  28  17.768   7.559   3.055
  197   1HB   PRO  28          2HB       PRO  28  16.984   6.614   5.405
  198   2HB   PRO  28          1HB       PRO  28  17.110   8.360   5.154
  199   1HG   PRO  28          2HG       PRO  28  14.684   6.645   5.315
  200   2HG   PRO  28          1HG       PRO  28  14.896   8.341   5.786
  201   1HD   PRO  28          2HD       PRO  28  13.828   7.313   3.321
  202   2HD   PRO  28          1HD       PRO  28  14.080   9.010   3.772
  203    H    ARG  29           H        ARG  29  15.042   6.138   1.818
  204    HA   ARG  29           HA       ARG  29  14.467   4.137   1.068
  205   1HB   ARG  29          2HB       ARG  29  16.696   3.538   0.509
  206   2HB   ARG  29          1HB       ARG  29  17.145   3.326   2.189
  207   1HG   ARG  29          2HG       ARG  29  15.079   1.553   0.938
  208   2HG   ARG  29          1HG       ARG  29  16.799   1.249   0.712
  209   1HD   ARG  29          2HD       ARG  29  16.934   1.475   3.282
  210   2HD   ARG  29          1HD       ARG  29  15.195   1.228   3.237
  211    HE   ARG  29           HE       ARG  29  16.458  -0.821   1.767
  212   1HH1  ARG  29          1HH1      ARG  29  16.103   0.265   5.017
  213   2HH1  ARG  29          2HH1      ARG  29  16.202  -1.328   5.680
  214   1HH2  ARG  29          1HH2      ARG  29  16.583  -2.872   2.633
  215   2HH2  ARG  29          2HH2      ARG  29  16.483  -3.079   4.347
  216    H    VAL  30           H        VAL  30  12.705   3.963   2.153
  217    HA   VAL  30           HA       VAL  30  12.750   2.425   4.677
  218    HB   VAL  30           HB       VAL  30  10.746   3.703   5.461
  219   1HG1  VAL  30          1HG1      VAL  30  13.238   5.354   5.009
  220   2HG1  VAL  30          2HG1      VAL  30  12.968   4.217   6.330
  221   3HG1  VAL  30          3HG1      VAL  30  11.989   5.679   6.212
  222   1HG2  VAL  30          1HG2      VAL  30  10.267   5.898   4.458
  223   2HG2  VAL  30          2HG2      VAL  30   9.967   4.585   3.319
  224   3HG2  VAL  30          3HG2      VAL  30  11.429   5.562   3.173
  225    H    TRP  31           H        TRP  31  11.405   0.715   4.773
  226    HA   TRP  31           HA       TRP  31   9.642   0.233   2.454
  227   1HB   TRP  31          2HB       TRP  31  10.984  -1.705   4.357
  228   2HB   TRP  31          1HB       TRP  31   9.838  -2.182   3.108
  229    HD1  TRP  31           HD1      TRP  31  13.259  -0.343   3.318
  230    HE1  TRP  31           HE1      TRP  31  14.611  -0.962   1.218
  231    HE3  TRP  31           HE3      TRP  31   9.767  -3.214   0.924
  232    HZ2  TRP  31           HZ2      TRP  31  14.244  -2.472  -1.143
  233    HZ3  TRP  31           HZ3      TRP  31  10.349  -4.212  -1.249
  234    HH2  TRP  31           HH2      TRP  31  12.545  -3.847  -2.260
  235    H    LEU  32           H        LEU  32   7.542   0.569   2.836
  236    HA   LEU  32           HA       LEU  32   6.477   0.052   5.543
  237   1HB   LEU  32          2HB       LEU  32   5.429   1.829   3.334
  238   2HB   LEU  32          1HB       LEU  32   4.531   1.467   4.796
  239    HG   LEU  32           HG       LEU  32   6.478   2.476   6.095
  240   1HD1  LEU  32          1HD1      LEU  32   7.926   4.043   4.903
  241   2HD1  LEU  32          2HD1      LEU  32   7.239   3.517   3.365
  242   3HD1  LEU  32          3HD1      LEU  32   8.172   2.388   4.345
  243   1HD2  LEU  32          1HD2      LEU  32   4.368   3.643   5.807
  244   2HD2  LEU  32          2HD2      LEU  32   4.892   4.254   4.237
  245   3HD2  LEU  32          3HD2      LEU  32   5.713   4.779   5.709
  246    H    GLN  33           H        GLN  33   4.938  -1.451   5.871
  247    HA   GLN  33           HA       GLN  33   4.239  -3.211   3.648
  248   1HB   GLN  33          2HB       GLN  33   5.090  -4.153   5.761
  249   2HB   GLN  33          1HB       GLN  33   3.724  -3.465   6.624
  250   1HG   GLN  33          2HG       GLN  33   3.262  -5.762   6.322
  251   2HG   GLN  33          1HG       GLN  33   2.222  -4.888   5.200
  252   1HE2  GLN  33          1HE2      GLN  33   1.987  -6.725   3.890
  253   2HE2  GLN  33          2HE2      GLN  33   3.269  -7.297   2.880
  254    H    ILE  34           H        ILE  34   2.408  -2.931   2.537
  255    HA   ILE  34           HA       ILE  34   0.156  -1.448   3.561
  256    HB   ILE  34           HB       ILE  34   0.405  -3.081   1.021
  257   1HG1  ILE  34          2HG1      ILE  34   0.619  -0.082   1.437
  258   2HG1  ILE  34          1HG1      ILE  34   1.981  -1.161   1.154
  259   1HG2  ILE  34          1HG2      ILE  34  -1.563  -1.765   0.272
  260   2HG2  ILE  34          2HG2      ILE  34  -1.702  -1.101   1.897
  261   3HG2  ILE  34          3HG2      ILE  34  -1.920  -2.831   1.631
  262   1HD1  ILE  34          1HD1      ILE  34   1.356   0.017  -0.871
  263   2HD1  ILE  34          2HD1      ILE  34  -0.280  -0.632  -0.763
  264   3HD1  ILE  34          3HD1      ILE  34   1.082  -1.717  -1.047
  265    HA   PRO  35           HA       PRO  35  -1.676  -5.228   5.255
  266   1HB   PRO  35          2HB       PRO  35  -3.525  -4.070   6.807
  267   2HB   PRO  35          1HB       PRO  35  -1.806  -3.981   7.216
  268   1HG   PRO  35          2HG       PRO  35  -3.548  -1.921   5.905
  269   2HG   PRO  35          1HG       PRO  35  -2.338  -1.708   7.183
  270   1HD   PRO  35          2HD       PRO  35  -1.880  -1.214   4.504
  271   2HD   PRO  35          1HD       PRO  35  -0.607  -1.602   5.680
  272    H    GLU  36           H        GLU  36  -2.965  -6.434   3.965
  273    HA   GLU  36           HA       GLU  36  -4.896  -5.559   2.155
  274   1HB   GLU  36          2HB       GLU  36  -4.685  -8.206   3.613
  275   2HB   GLU  36          1HB       GLU  36  -5.737  -7.919   2.233
  276   1HG   GLU  36          2HG       GLU  36  -3.869  -7.555   0.785
  277   2HG   GLU  36          1HG       GLU  36  -2.744  -7.564   2.142
  278    H    ASP  37           H        ASP  37  -5.067  -5.745   5.546
  279    HA   ASP  37           HA       ASP  37  -7.797  -6.108   6.047
  280   1HB   ASP  37          2HB       ASP  37  -5.897  -4.357   7.621
  281   2HB   ASP  37          1HB       ASP  37  -7.326  -5.193   8.224
  282    H    THR  38           H        THR  38  -6.033  -3.272   4.967
  283    HA   THR  38           HA       THR  38  -8.601  -1.839   4.746
  284    HB   THR  38           HB       THR  38  -7.285  -0.900   6.651
  285    HG1  THR  38           HG1      THR  38  -8.485   0.722   6.017
  286   1HG2  THR  38          1HG2      THR  38  -5.370   0.040   4.512
  287   2HG2  THR  38          2HG2      THR  38  -5.024  -1.219   5.696
  288   3HG2  THR  38          3HG2      THR  38  -5.308   0.438   6.228
  289    H    GLY  39           H        GLY  39  -5.258  -2.120   3.523
  290   1HA   GLY  39          2HA       GLY  39  -5.026  -2.621   1.173
  291   2HA   GLY  39          1HA       GLY  39  -6.392  -1.577   0.853
  292    H    TRP  40           H        TRP  40  -4.359   0.001   3.037
  293    HA   TRP  40           HA       TRP  40  -2.731   1.227   0.933
  294   1HB   TRP  40          2HB       TRP  40  -3.495   3.511   1.585
  295   2HB   TRP  40          1HB       TRP  40  -4.766   2.532   0.859
  296    HD1  TRP  40           HD1      TRP  40  -6.799   1.789   2.420
  297    HE1  TRP  40           HE1      TRP  40  -7.624   2.621   4.702
  298    HE3  TRP  40           HE3      TRP  40  -2.676   4.458   3.856
  299    HZ2  TRP  40           HZ2      TRP  40  -6.669   4.200   6.831
  300    HZ3  TRP  40           HZ3      TRP  40  -2.715   5.598   6.035
  301    HH2  TRP  40           HH2      TRP  40  -4.674   5.470   7.493
  302    H    VAL  41           H        VAL  41  -1.106   2.755   1.738
  303    HA   VAL  41           HA       VAL  41  -0.730   2.959   4.632
  304    HB   VAL  41           HB       VAL  41   0.629   0.980   3.885
  305   1HG1  VAL  41          1HG1      VAL  41   2.668   1.349   2.581
  306   2HG1  VAL  41          2HG1      VAL  41   2.217   3.037   2.341
  307   3HG1  VAL  41          3HG1      VAL  41   1.227   1.753   1.645
  308   1HG2  VAL  41          1HG2      VAL  41   2.201   3.344   4.924
  309   2HG2  VAL  41          2HG2      VAL  41   2.681   1.652   5.055
  310   3HG2  VAL  41          3HG2      VAL  41   1.236   2.225   5.887
  311    H    GLU  42           H        GLU  42   0.373   4.886   5.248
  312    HA   GLU  42           HA       GLU  42   0.846   6.774   3.017
  313   1HB   GLU  42          2HB       GLU  42  -0.285   7.306   5.766
  314   2HB   GLU  42          1HB       GLU  42   0.234   8.579   4.670
  315   1HG   GLU  42          2HG       GLU  42  -1.416   7.739   3.008
  316   2HG   GLU  42          1HG       GLU  42  -1.992   6.596   4.221
  317    H    CYS  43           H        CYS  43   2.643   8.006   2.967
  318    HA   CYS  43           HA       CYS  43   4.577   7.795   5.196
  319   1HB   CYS  43          2HB       CYS  43   5.097   8.572   2.312
  320   2HB   CYS  43          1HB       CYS  43   6.314   8.364   3.567
  321    HG   CYS  43           HG       CYS  43   4.604   5.599   3.439
  322    HA   PRO  44           HA       PRO  44   2.888  11.866   5.908
  323   1HB   PRO  44          2HB       PRO  44   4.215  12.478   8.191
  324   2HB   PRO  44          1HB       PRO  44   2.907  11.291   8.129
  325   1HG   PRO  44          2HG       PRO  44   5.875  10.840   8.065
  326   2HG   PRO  44          1HG       PRO  44   4.644  10.008   9.037
  327   1HD   PRO  44          2HD       PRO  44   5.629   8.928   6.768
  328   2HD   PRO  44          1HD       PRO  44   3.933   8.703   7.251
  329    H    TYR  45           H        TYR  45   5.737  11.532   4.427
  330    HA   TYR  45           HA       TYR  45   6.721  14.248   4.947
  331   1HB   TYR  45          2HB       TYR  45   7.894  12.072   3.193
  332   2HB   TYR  45          1HB       TYR  45   8.646  13.626   3.537
  333    HD1  TYR  45           HD1      TYR  45   9.647  14.069   5.724
  334    HD2  TYR  45           HD2      TYR  45   7.828  10.312   4.879
  335    HE1  TYR  45           HE1      TYR  45  10.728  13.103   7.709
  336    HE2  TYR  45           HE2      TYR  45   8.904   9.337   6.861
  337    HH   TYR  45           HH       TYR  45  10.444  11.254   9.242
  338    H    CYS  46           H        CYS  46   6.526  12.477   1.819
  339    HA   CYS  46           HA       CYS  46   5.279  14.787   0.564
  340   1HB   CYS  46          2HB       CYS  46   6.922  13.518  -0.718
  341   2HB   CYS  46          1HB       CYS  46   5.971  12.053  -0.548
  342    HG   CYS  46           HG       CYS  46   3.778  13.231  -2.019
  343    H    ASP  47           H        ASP  47   4.026  12.563   2.550
  344    HA   ASP  47           HA       ASP  47   1.999  11.625   2.947
  345   1HB   ASP  47          2HB       ASP  47   1.167  13.942   1.196
  346   2HB   ASP  47          1HB       ASP  47   0.012  12.908   2.036
  347    H    CYS  48           H        CYS  48   3.537  10.581   0.721
  348    HA   CYS  48           HA       CYS  48   1.880   9.779  -1.413
  349   1HB   CYS  48          2HB       CYS  48   4.278   8.336  -0.253
  350   2HB   CYS  48          1HB       CYS  48   3.576   8.062  -1.846
  351    HG   CYS  48           HG       CYS  48   4.292  10.494  -2.901
  352    H    LYS  49           H        LYS  49   0.044   8.684  -1.179
  353    HA   LYS  49           HA       LYS  49  -0.247   6.690   0.956
  354   1HB   LYS  49          2HB       LYS  49  -1.939   8.514   0.698
  355   2HB   LYS  49          1HB       LYS  49  -2.361   7.853  -0.874
  356   1HG   LYS  49          2HG       LYS  49  -3.189   5.827   0.135
  357   2HG   LYS  49          1HG       LYS  49  -2.595   6.329   1.720
  358   1HD   LYS  49          2HD       LYS  49  -4.123   8.293   1.613
  359   2HD   LYS  49          1HD       LYS  49  -4.777   7.656   0.104
  360   1HE   LYS  49          2HE       LYS  49  -5.584   5.681   1.238
  361   2HE   LYS  49          1HE       LYS  49  -4.814   6.184   2.742
  362   1HZ   LYS  49          1HZ       LYS  49  -7.015   7.620   1.363
  363   2HZ   LYS  49          2HZ       LYS  49  -6.286   8.099   2.811
  364   3HZ   LYS  49          3HZ       LYS  49  -7.175   6.663   2.743
  365    H    TYR  50           H        TYR  50   0.519   4.748   0.297
  366    HA   TYR  50           HA       TYR  50   0.294   3.926  -2.486
  367   1HB   TYR  50          2HB       TYR  50   1.613   2.558  -0.126
  368   2HB   TYR  50          1HB       TYR  50   1.717   2.026  -1.802
  369    HD1  TYR  50           HD1      TYR  50   2.832   3.559  -3.489
  370    HD2  TYR  50           HD2      TYR  50   3.090   4.208   0.712
  371    HE1  TYR  50           HE1      TYR  50   4.786   5.008  -3.838
  372    HE2  TYR  50           HE2      TYR  50   5.044   5.659   0.373
  373    HH   TYR  50           HH       TYR  50   6.795   6.043  -1.291
  374    H    VAL  51           H        VAL  51  -1.439   2.905  -3.179
  375    HA   VAL  51           HA       VAL  51  -3.061   1.269  -1.353
  376    HB   VAL  51           HB       VAL  51  -3.626   2.155  -4.200
  377   1HG1  VAL  51          1HG1      VAL  51  -4.769   0.069  -3.706
  378   2HG1  VAL  51          2HG1      VAL  51  -5.935   1.392  -3.746
  379   3HG1  VAL  51          3HG1      VAL  51  -5.395   0.735  -2.200
  380   1HG2  VAL  51          1HG2      VAL  51  -5.246   3.692  -3.171
  381   2HG2  VAL  51          2HG2      VAL  51  -3.600   4.029  -2.634
  382   3HG2  VAL  51          3HG2      VAL  51  -4.718   3.173  -1.570
  383    H    LEU  52           H        LEU  52  -3.329  -0.928  -1.597
  384    HA   LEU  52           HA       LEU  52  -1.353  -2.344  -3.130
  385   1HB   LEU  52          2HB       LEU  52  -2.045  -3.095  -0.898
  386   2HB   LEU  52          1HB       LEU  52  -3.666  -3.392  -1.491
  387    HG   LEU  52           HG       LEU  52  -2.798  -5.161  -2.978
  388   1HD1  LEU  52          1HD1      LEU  52  -0.140  -4.604  -1.658
  389   2HD1  LEU  52          2HD1      LEU  52  -0.554  -4.297  -3.346
  390   3HD1  LEU  52          3HD1      LEU  52  -0.495  -5.952  -2.740
  391   1HD2  LEU  52          1HD2      LEU  52  -2.017  -5.482  -0.073
  392   2HD2  LEU  52          2HD2      LEU  52  -2.257  -6.797  -1.224
  393   3HD2  LEU  52          3HD2      LEU  52  -3.614  -5.770  -0.768
  394    H    LYS  53           H        LYS  53  -1.539  -3.332  -5.028
  395    HA   LYS  53           HA       LYS  53  -3.488  -2.740  -6.890
  396   1HB   LYS  53          2HB       LYS  53  -1.261  -3.514  -7.465
  397   2HB   LYS  53          1HB       LYS  53  -1.600  -5.095  -6.781
  398   1HG   LYS  53          2HG       LYS  53  -3.269  -5.500  -8.514
  399   2HG   LYS  53          1HG       LYS  53  -2.953  -3.901  -9.196
  400   1HD   LYS  53          2HD       LYS  53  -0.655  -4.523  -9.682
  401   2HD   LYS  53          1HD       LYS  53  -0.887  -6.093  -8.908
  402   1HE   LYS  53          2HE       LYS  53  -2.566  -6.666 -10.605
  403   2HE   LYS  53          1HE       LYS  53  -2.311  -5.102 -11.377
  404   1HZ   LYS  53          1HZ       LYS  53  -0.047  -5.713 -11.855
  405   2HZ   LYS  53          2HZ       LYS  53  -1.083  -6.902 -12.462
  406   3HZ   LYS  53          3HZ       LYS  53  -0.219  -7.181 -11.034
  407    H    GLY  54           H        GLY  54  -5.612  -3.209  -6.753
  408   1HA   GLY  54          2HA       GLY  54  -7.428  -4.631  -7.121
  409   2HA   GLY  54          1HA       GLY  54  -6.397  -6.011  -6.796
  410    H    SER  55           H        SER  55  -5.949  -3.869  -4.304
  411    HA   SER  55           HA       SER  55  -7.353  -5.493  -2.421
  412   1HB   SER  55          2HB       SER  55  -5.311  -4.357  -1.755
  413   2HB   SER  55          1HB       SER  55  -6.038  -2.784  -2.086
  414    HG   SER  55           HG       SER  55  -6.743  -4.642  -0.053
  415    H    LYS  56           H        LYS  56  -8.758  -4.303  -0.670
  416    HA   LYS  56           HA       LYS  56 -11.166  -3.497  -1.951
  417   1HB   LYS  56          2HB       LYS  56 -11.015  -4.704   0.249
  418   2HB   LYS  56          1HB       LYS  56 -10.472  -3.199   0.980
  419   1HG   LYS  56          2HG       LYS  56 -12.562  -2.124   0.457
  420   2HG   LYS  56          1HG       LYS  56 -13.108  -3.541  -0.444
  421   1HD   LYS  56          2HD       LYS  56 -13.020  -4.865   1.647
  422   2HD   LYS  56          1HD       LYS  56 -12.550  -3.407   2.526
  423   1HE   LYS  56          2HE       LYS  56 -15.113  -3.730   0.962
  424   2HE   LYS  56          1HE       LYS  56 -14.968  -3.926   2.708
  425   1HZ   LYS  56          1HZ       LYS  56 -15.756  -1.697   1.881
  426   2HZ   LYS  56          2HZ       LYS  56 -14.180  -1.423   1.333
  427   3HZ   LYS  56          3HZ       LYS  56 -14.474  -1.672   2.980
  428    H    ALA  57           H        ALA  57  -8.454  -1.735  -0.654
  429    HA   ALA  57           HA       ALA  57  -9.682   0.859  -0.710
  430   1HB   ALA  57          1HB       ALA  57  -7.676   0.418   0.631
  431   2HB   ALA  57          2HB       ALA  57  -7.402   1.728  -0.518
  432   3HB   ALA  57          3HB       ALA  57  -6.753   0.118  -0.840
  433    H    ASP  58           H        ASP  58  -8.455  -1.266  -3.100
  434    HA   ASP  58           HA       ASP  58  -8.307   0.842  -5.143
  435   1HB   ASP  58          2HB       ASP  58  -6.429  -0.812  -4.912
  436   2HB   ASP  58          1HB       ASP  58  -7.555  -2.095  -5.337
  437    H    ALA  59           H        ALA  59 -10.829  -0.055  -3.934
  438    HA   ALA  59           HA       ALA  59 -12.155  -1.610  -6.033
  439   1HB   ALA  59          1HB       ALA  59 -14.058  -1.688  -4.503
  440   2HB   ALA  59          2HB       ALA  59 -13.224  -0.596  -3.397
  441   3HB   ALA  59          3HB       ALA  59 -12.577  -2.209  -3.697
  442    H    LEU  60           H        LEU  60 -11.291   1.417  -6.015
  443    HA   LEU  60           HA       LEU  60 -13.805   2.747  -6.568
  444   1HB   LEU  60          2HB       LEU  60 -10.933   3.673  -6.783
  445   2HB   LEU  60          1HB       LEU  60 -12.308   4.684  -7.178
  446    HG   LEU  60           HG       LEU  60 -13.110   4.356  -4.798
  447   1HD1  LEU  60          1HD1      LEU  60 -10.323   3.268  -4.408
  448   2HD1  LEU  60          2HD1      LEU  60 -11.830   2.367  -4.238
  449   3HD1  LEU  60          3HD1      LEU  60 -11.464   3.685  -3.127
  450   1HD2  LEU  60          1HD2      LEU  60 -11.567   6.026  -3.878
  451   2HD2  LEU  60          2HD2      LEU  60 -12.053   6.422  -5.525
  452   3HD2  LEU  60          3HD2      LEU  60 -10.456   5.739  -5.219
  453    H    GLU  61           H        GLU  61 -12.919   4.374  -8.785
  454    HA   GLU  61           HA       GLU  61 -12.941   4.424 -11.060
  455   1HB   GLU  61          2HB       GLU  61 -11.889   1.593 -10.817
  456   2HB   GLU  61          1HB       GLU  61 -12.034   2.465 -12.336
  457   1HG   GLU  61          2HG       GLU  61 -10.391   3.491 -10.035
  458   2HG   GLU  61          1HG       GLU  61  -9.740   2.397 -11.253
  459    H    HIS  62           H        HIS  62 -13.791   0.995 -10.564
  460    HA   HIS  62           HA       HIS  62 -16.591   1.390 -10.927
  461   1HB   HIS  62          2HB       HIS  62 -16.743   0.122 -13.114
  462   2HB   HIS  62          1HB       HIS  62 -16.095   1.752 -13.235
  463    HD1  HIS  62           HD1      HIS  62 -13.693   2.023 -14.053
  464    HD2  HIS  62           HD2      HIS  62 -14.847  -1.950 -13.598
  465    HE1  HIS  62           HE1      HIS  62 -11.897   0.668 -15.162
  466    HE2  HIS  62           HE2      HIS  62 -12.714  -1.705 -15.048
  467    H    HIS  63           H        HIS  63 -17.783  -0.447 -10.462
  468    HA   HIS  63           HA       HIS  63 -16.341  -2.436  -8.954
  469   1HB   HIS  63          2HB       HIS  63 -19.292  -2.001  -9.439
  470   2HB   HIS  63          1HB       HIS  63 -18.654  -3.288  -8.420
  471    HD1  HIS  63           HD1      HIS  63 -20.107  -2.045  -6.535
  472    HD2  HIS  63           HD2      HIS  63 -16.762   0.010  -7.902
  473    HE1  HIS  63           HE1      HIS  63 -19.669  -0.262  -4.826
  474    HE2  HIS  63           HE2      HIS  63 -17.704   1.033  -5.716
  475    H    HIS  64           H        HIS  64 -17.426  -4.755  -9.082
  476    HA   HIS  64           HA       HIS  64 -17.831  -5.706 -11.786
  477   1HB   HIS  64          2HB       HIS  64 -15.960  -7.409 -11.550
  478   2HB   HIS  64          1HB       HIS  64 -15.457  -5.748 -11.834
  479    HD1  HIS  64           HD1      HIS  64 -14.923  -8.559  -9.599
  480    HD2  HIS  64           HD2      HIS  64 -14.508  -4.429  -9.391
  481    HE1  HIS  64           HE1      HIS  64 -13.468  -8.129  -7.602
  482    HE2  HIS  64           HE2      HIS  64 -13.302  -5.626  -7.441
  483    H    HIS  65           H        HIS  65 -17.046  -6.896  -8.485
  484    HA   HIS  65           HA       HIS  65 -18.245  -8.109  -6.993
  485   1HB   HIS  65          2HB       HIS  65 -19.886  -6.358  -7.394
  486   2HB   HIS  65          1HB       HIS  65 -20.553  -7.254  -8.752
  487    HD1  HIS  65           HD1      HIS  65 -20.106  -7.693  -5.003
  488    HD2  HIS  65           HD2      HIS  65 -22.689  -8.800  -8.062
  489    HE1  HIS  65           HE1      HIS  65 -21.989  -8.907  -3.880
  490    HE2  HIS  65           HE2      HIS  65 -23.487  -9.662  -5.753
  491    H    HIS  66           H        HIS  66 -17.690  -9.377  -9.958
  492    HA   HIS  66           HA       HIS  66 -18.260 -11.234 -11.161
  493   1HB   HIS  66          2HB       HIS  66 -18.072 -13.362  -9.912
  494   2HB   HIS  66          1HB       HIS  66 -16.792 -12.234  -9.507
  495    HD1  HIS  66           HD1      HIS  66 -19.957 -13.723  -8.051
  496    HD2  HIS  66           HD2      HIS  66 -16.570 -11.638  -6.835
  497    HE1  HIS  66           HE1      HIS  66 -20.004 -13.765  -5.547
  498    HE2  HIS  66           HE2      HIS  66 -18.017 -12.401  -4.833
  499    H    HIS  67           H        HIS  67 -19.845 -13.521 -10.636
  500    HA   HIS  67           HA       HIS  67 -22.510 -12.329 -10.654
  501   1HB   HIS  67          2HB       HIS  67 -23.340 -14.516 -11.377
  502   2HB   HIS  67          1HB       HIS  67 -22.022 -13.969 -12.398
  503    HD1  HIS  67           HD1      HIS  67 -19.952 -15.448 -12.528
  504    HD2  HIS  67           HD2      HIS  67 -22.730 -16.770  -9.735
  505    HE1  HIS  67           HE1      HIS  67 -19.225 -17.765 -11.895
  506    HE2  HIS  67           HE2      HIS  67 -20.830 -18.482 -10.100
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -3.348  29.550  -0.226
    2   2H    MET   1          2H        MET   1  -3.308  27.866  -0.081
    3   3H    MET   1          3H        MET   1  -3.859  28.582  -1.510
    4    HA   MET   1           HA       MET   1  -1.693  29.463  -1.988
    5   1HB   MET   1          2HB       MET   1  -0.846  28.035   0.549
    6   2HB   MET   1          1HB       MET   1   0.231  28.860  -0.570
    7   1HG   MET   1          2HG       MET   1  -0.794  30.986  -0.045
    8   2HG   MET   1          1HG       MET   1  -1.973  30.189   0.997
    9   1HE   MET   1          1HE       MET   1   0.238  32.090   3.584
   10   2HE   MET   1          2HE       MET   1  -1.396  31.805   2.986
   11   3HE   MET   1          3HE       MET   1  -0.220  32.647   1.977
   12    H    THR   2           H        THR   2  -1.494  26.320  -0.276
   13    HA   THR   2           HA       THR   2  -1.005  25.008  -2.890
   14    HB   THR   2           HB       THR   2   0.235  23.252  -1.652
   15    HG1  THR   2           HG1      THR   2   0.816  23.798   0.580
   16   1HG2  THR   2          1HG2      THR   2   1.278  26.044  -1.105
   17   2HG2  THR   2          2HG2      THR   2   1.489  25.142  -2.606
   18   3HG2  THR   2          3HG2      THR   2   2.237  24.565  -1.119
   19    H    ILE   3           H        ILE   3  -1.952  22.963  -3.265
   20    HA   ILE   3           HA       ILE   3  -4.233  22.259  -1.554
   21    HB   ILE   3           HB       ILE   3  -3.375  21.106  -4.225
   22   1HG1  ILE   3          2HG1      ILE   3  -5.604  23.039  -3.528
   23   2HG1  ILE   3          1HG1      ILE   3  -4.128  23.442  -4.402
   24   1HG2  ILE   3          1HG2      ILE   3  -5.561  20.010  -4.263
   25   2HG2  ILE   3          2HG2      ILE   3  -5.925  20.653  -2.663
   26   3HG2  ILE   3          3HG2      ILE   3  -4.621  19.482  -2.867
   27   1HD1  ILE   3          1HD1      ILE   3  -4.817  21.986  -6.233
   28   2HD1  ILE   3          2HD1      ILE   3  -6.029  23.221  -5.898
   29   3HD1  ILE   3          3HD1      ILE   3  -6.286  21.565  -5.351
   30    H    GLN   4           H        GLN   4  -1.048  21.254  -2.407
   31    HA   GLN   4           HA       GLN   4   0.374  19.676  -1.664
   32   1HB   GLN   4          2HB       GLN   4  -1.689  19.181   0.499
   33   2HB   GLN   4          1HB       GLN   4  -0.044  18.557   0.500
   34   1HG   GLN   4          2HG       GLN   4   0.820  20.857   0.568
   35   2HG   GLN   4          1HG       GLN   4  -0.831  21.468   0.591
   36   1HE2  GLN   4          1HE2      GLN   4   0.211  18.612   2.332
   37   2HE2  GLN   4          2HE2      GLN   4   0.031  19.286   3.907
   38    H    ALA   5           H        ALA   5  -2.619  18.007  -0.741
   39    HA   ALA   5           HA       ALA   5  -3.661  16.136  -1.472
   40   1HB   ALA   5          1HB       ALA   5  -2.319  16.685  -4.112
   41   2HB   ALA   5          2HB       ALA   5  -3.821  17.428  -3.565
   42   3HB   ALA   5          3HB       ALA   5  -3.747  15.689  -3.839
   43    HA   PRO   6           HA       PRO   6  -0.286  13.167  -0.613
   44   1HB   PRO   6          2HB       PRO   6  -2.675  11.521   0.070
   45   2HB   PRO   6          1HB       PRO   6  -1.204  11.817   1.007
   46   1HG   PRO   6          2HG       PRO   6  -3.514  12.972   1.683
   47   2HG   PRO   6          1HG       PRO   6  -1.977  13.848   1.825
   48   1HD   PRO   6          2HD       PRO   6  -4.101  14.076  -0.286
   49   2HD   PRO   6          1HD       PRO   6  -3.144  15.356   0.495
   50    H    GLU   7           H        GLU   7   0.097  13.051  -2.901
   51    HA   GLU   7           HA       GLU   7  -1.293  11.880  -4.902
   52   1HB   GLU   7          2HB       GLU   7   1.537  12.277  -4.316
   53   2HB   GLU   7          1HB       GLU   7   1.277  10.863  -5.326
   54   1HG   GLU   7          2HG       GLU   7   0.129  13.569  -5.969
   55   2HG   GLU   7          1HG       GLU   7   1.709  13.027  -6.526
   56    H    THR   8           H        THR   8  -2.158   9.989  -5.351
   57    HA   THR   8           HA       THR   8  -1.671   7.713  -3.577
   58    HB   THR   8           HB       THR   8  -3.739   8.117  -5.760
   59    HG1  THR   8           HG1      THR   8  -3.678   8.580  -2.989
   60   1HG2  THR   8          1HG2      THR   8  -3.255   5.735  -5.474
   61   2HG2  THR   8          2HG2      THR   8  -4.847   6.124  -4.821
   62   3HG2  THR   8          3HG2      THR   8  -3.479   5.887  -3.732
   63    H    LYS   9           H        LYS   9  -0.738   5.785  -4.206
   64    HA   LYS   9           HA       LYS   9   0.269   5.635  -6.979
   65   1HB   LYS   9          2HB       LYS   9   1.975   6.396  -5.244
   66   2HB   LYS   9          1HB       LYS   9   1.853   4.786  -4.546
   67   1HG   LYS   9          2HG       LYS   9   2.607   3.815  -6.667
   68   2HG   LYS   9          1HG       LYS   9   2.727   5.436  -7.357
   69   1HD   LYS   9          2HD       LYS   9   4.341   5.985  -5.489
   70   2HD   LYS   9          1HD       LYS   9   4.342   4.266  -5.090
   71   1HE   LYS   9          2HE       LYS   9   6.255   4.839  -6.499
   72   2HE   LYS   9          1HE       LYS   9   5.159   3.747  -7.345
   73   1HZ   LYS   9          1HZ       LYS   9   4.289   5.570  -8.594
   74   2HZ   LYS   9          2HZ       LYS   9   5.971   5.612  -8.719
   75   3HZ   LYS   9          3HZ       LYS   9   5.172   6.695  -7.697
   76    H    ILE  10           H        ILE  10  -0.497   3.854  -7.941
   77    HA   ILE  10           HA       ILE  10  -1.554   1.657  -6.353
   78    HB   ILE  10           HB       ILE  10  -1.516   1.990  -9.364
   79   1HG1  ILE  10          2HG1      ILE  10  -2.765   3.811  -8.282
   80   2HG1  ILE  10          1HG1      ILE  10  -3.863   2.724  -9.123
   81   1HG2  ILE  10          1HG2      ILE  10  -3.111   0.116  -7.603
   82   2HG2  ILE  10          2HG2      ILE  10  -1.805  -0.337  -8.700
   83   3HG2  ILE  10          3HG2      ILE  10  -3.317   0.303  -9.346
   84   1HD1  ILE  10          1HD1      ILE  10  -4.785   3.390  -6.995
   85   2HD1  ILE  10          2HD1      ILE  10  -3.351   2.798  -6.156
   86   3HD1  ILE  10          3HD1      ILE  10  -4.424   1.665  -6.980
   87    H    VAL  11           H        VAL  11  -0.221   0.083  -5.698
   88    HA   VAL  11           HA       VAL  11   2.044  -0.712  -7.431
   89    HB   VAL  11           HB       VAL  11   3.168  -1.514  -5.387
   90   1HG1  VAL  11          1HG1      VAL  11   3.675   0.689  -4.411
   91   2HG1  VAL  11          2HG1      VAL  11   2.271   1.371  -5.234
   92   3HG1  VAL  11          3HG1      VAL  11   3.626   0.746  -6.174
   93   1HG2  VAL  11          1HG2      VAL  11   1.201  -2.041  -4.042
   94   2HG2  VAL  11          2HG2      VAL  11   0.788  -0.329  -3.937
   95   3HG2  VAL  11          3HG2      VAL  11   2.259  -0.928  -3.170
   96    H    ASP  12           H        ASP  12   2.741  -3.015  -7.211
   97    HA   ASP  12           HA       ASP  12   0.394  -4.795  -7.072
   98   1HB   ASP  12          2HB       ASP  12   3.063  -5.348  -8.388
   99   2HB   ASP  12          1HB       ASP  12   1.575  -6.274  -8.569
  100    H    LYS  13           H        LYS  13   3.036  -3.933  -5.249
  101    HA   LYS  13           HA       LYS  13   3.176  -6.561  -3.909
  102   1HB   LYS  13          2HB       LYS  13   5.329  -4.517  -4.426
  103   2HB   LYS  13          1HB       LYS  13   5.490  -5.696  -3.131
  104   1HG   LYS  13          2HG       LYS  13   5.047  -6.407  -6.029
  105   2HG   LYS  13          1HG       LYS  13   6.624  -6.344  -5.241
  106   1HD   LYS  13          2HD       LYS  13   5.900  -8.070  -3.647
  107   2HD   LYS  13          1HD       LYS  13   4.320  -8.133  -4.429
  108   1HE   LYS  13          2HE       LYS  13   5.317  -8.950  -6.475
  109   2HE   LYS  13          1HE       LYS  13   6.937  -8.756  -5.802
  110   1HZ   LYS  13          1HZ       LYS  13   6.490 -10.465  -4.205
  111   2HZ   LYS  13          2HZ       LYS  13   6.114 -11.061  -5.741
  112   3HZ   LYS  13          3HZ       LYS  13   4.875 -10.584  -4.697
  113    H    SER  14           H        SER  14   3.113  -6.634  -1.683
  114    HA   SER  14           HA       SER  14   1.763  -4.494  -0.351
  115   1HB   SER  14          2HB       SER  14   2.987  -7.002   0.831
  116   2HB   SER  14          1HB       SER  14   1.827  -5.941   1.627
  117    HG   SER  14           HG       SER  14   0.297  -6.977   0.648
  118    H    ARG  15           H        ARG  15   5.086  -5.359  -0.721
  119    HA   ARG  15           HA       ARG  15   5.896  -3.500   1.413
  120   1HB   ARG  15          2HB       ARG  15   7.612  -5.408  -0.199
  121   2HB   ARG  15          1HB       ARG  15   8.128  -4.457   1.193
  122   1HG   ARG  15          2HG       ARG  15   6.618  -5.692   2.636
  123   2HG   ARG  15          1HG       ARG  15   6.014  -6.598   1.251
  124   1HD   ARG  15          2HD       ARG  15   8.348  -7.452   0.901
  125   2HD   ARG  15          1HD       ARG  15   8.793  -6.680   2.422
  126    HE   ARG  15           HE       ARG  15   7.006  -8.978   2.094
  127   1HH1  ARG  15          1HH1      ARG  15   8.826  -6.904   4.150
  128   2HH1  ARG  15          2HH1      ARG  15   8.551  -7.876   5.549
  129   1HH2  ARG  15          1HH2      ARG  15   6.707 -10.240   3.886
  130   2HH2  ARG  15          2HH2      ARG  15   7.380  -9.744   5.400
  131    H    VAL  16           H        VAL  16   6.153  -1.479   0.801
  132    HA   VAL  16           HA       VAL  16   7.103  -0.888  -1.942
  133    HB   VAL  16           HB       VAL  16   5.221   0.825  -0.303
  134   1HG1  VAL  16          1HG1      VAL  16   6.041   1.019  -3.208
  135   2HG1  VAL  16          2HG1      VAL  16   6.602   2.073  -1.910
  136   3HG1  VAL  16          3HG1      VAL  16   4.900   2.076  -2.374
  137   1HG2  VAL  16          1HG2      VAL  16   4.132  -1.270  -0.941
  138   2HG2  VAL  16          2HG2      VAL  16   4.594  -1.008  -2.623
  139   3HG2  VAL  16          3HG2      VAL  16   3.459   0.091  -1.839
  140    H    ALA  17           H        ALA  17   8.875   0.365  -2.129
  141    HA   ALA  17           HA       ALA  17  10.254   1.321   0.194
  142   1HB   ALA  17          1HB       ALA  17  11.966   2.074  -1.338
  143   2HB   ALA  17          2HB       ALA  17  10.877   1.861  -2.712
  144   3HB   ALA  17          3HB       ALA  17  11.431   0.459  -1.797
  145    H    CYS  18           H        CYS  18  10.462   3.368   0.969
  146    HA   CYS  18           HA       CYS  18   9.113   5.564  -0.472
  147   1HB   CYS  18          2HB       CYS  18   7.738   4.861   1.438
  148   2HB   CYS  18          1HB       CYS  18   9.110   5.081   2.518
  149    HG   CYS  18           HG       CYS  18   9.199   7.926   1.681
  150    H    ASP  19           H        ASP  19  11.391   5.766  -1.273
  151    HA   ASP  19           HA       ASP  19  13.482   6.525   0.491
  152   1HB   ASP  19          2HB       ASP  19  13.228   6.997  -2.490
  153   2HB   ASP  19          1HB       ASP  19  14.712   7.123  -1.549
  154    H    GLY  20           H        GLY  20  12.194   8.653  -2.093
  155   1HA   GLY  20          2HA       GLY  20  11.087  10.657  -0.633
  156   2HA   GLY  20          1HA       GLY  20  12.807  10.975  -0.481
  157    H    GLY  21           H        GLY  21  11.738  13.001  -1.482
  158   1HA   GLY  21          2HA       GLY  21  11.818  12.807  -4.435
  159   2HA   GLY  21          1HA       GLY  21  10.977  14.060  -3.533
  160    H    GLU  22           H        GLU  22  12.039  15.925  -3.073
  161    HA   GLU  22           HA       GLU  22  14.578  16.474  -4.204
  162   1HB   GLU  22          2HB       GLU  22  13.078  18.046  -2.092
  163   2HB   GLU  22          1HB       GLU  22  14.409  18.646  -3.075
  164   1HG   GLU  22          2HG       GLU  22  11.637  17.901  -3.972
  165   2HG   GLU  22          1HG       GLU  22  12.397  19.490  -4.003
  166    H    GLY  23           H        GLY  23  16.410  17.440  -2.894
  167   1HA   GLY  23          2HA       GLY  23  17.757  15.595  -1.411
  168   2HA   GLY  23          1HA       GLY  23  18.025  17.319  -1.250
  169    H    ALA  24           H        ALA  24  15.954  18.294   0.095
  170    HA   ALA  24           HA       ALA  24  16.365  17.482   2.753
  171   1HB   ALA  24          1HB       ALA  24  14.082  19.110   1.637
  172   2HB   ALA  24          2HB       ALA  24  15.655  19.737   2.132
  173   3HB   ALA  24          3HB       ALA  24  14.573  19.029   3.330
  174    H    LEU  25           H        LEU  25  14.006  16.453   0.391
  175    HA   LEU  25           HA       LEU  25  12.400  15.009   2.358
  176   1HB   LEU  25          2HB       LEU  25  12.140  15.162  -0.653
  177   2HB   LEU  25          1HB       LEU  25  10.991  14.400   0.431
  178    HG   LEU  25           HG       LEU  25  11.645  17.352   0.336
  179   1HD1  LEU  25          1HD1      LEU  25   9.158  15.850  -0.491
  180   2HD1  LEU  25          2HD1      LEU  25  10.333  16.600  -1.574
  181   3HD1  LEU  25          3HD1      LEU  25   9.366  17.604  -0.495
  182   1HD2  LEU  25          1HD2      LEU  25   9.639  15.870   2.042
  183   2HD2  LEU  25          2HD2      LEU  25   9.830  17.622   1.954
  184   3HD2  LEU  25          3HD2      LEU  25  11.127  16.626   2.613
  185    H    GLY  26           H        GLY  26  15.274  14.419   0.923
  186   1HA   GLY  26          2HA       GLY  26  14.910  11.720   0.015
  187   2HA   GLY  26          1HA       GLY  26  16.439  12.539   0.265
  188    H    HIS  27           H        HIS  27  14.304  10.200   1.444
  189    HA   HIS  27           HA       HIS  27  15.530  10.097   4.101
  190   1HB   HIS  27          2HB       HIS  27  13.376   8.289   2.973
  191   2HB   HIS  27          1HB       HIS  27  13.813   8.503   4.667
  192    HD1  HIS  27           HD1      HIS  27  11.521   9.754   2.111
  193    HD2  HIS  27           HD2      HIS  27  13.148  11.195   5.656
  194    HE1  HIS  27           HE1      HIS  27  10.075  11.697   2.782
  195    HE2  HIS  27           HE2      HIS  27  11.214  12.671   4.791
  196    HA   PRO  28           HA       PRO  28  18.641   7.133   3.239
  197   1HB   PRO  28          2HB       PRO  28  17.538   5.434   5.432
  198   2HB   PRO  28          1HB       PRO  28  19.185   6.019   5.181
  199   1HG   PRO  28          2HG       PRO  28  17.624   7.155   7.011
  200   2HG   PRO  28          1HG       PRO  28  18.696   8.145   6.003
  201   1HD   PRO  28          2HD       PRO  28  15.734   7.750   5.807
  202   2HD   PRO  28          1HD       PRO  28  16.697   9.215   5.520
  203    H    ARG  29           H        ARG  29  16.046   4.961   4.377
  204    HA   ARG  29           HA       ARG  29  15.230   3.911   1.958
  205   1HB   ARG  29          2HB       ARG  29  17.584   3.137   1.762
  206   2HB   ARG  29          1HB       ARG  29  17.387   2.214   3.240
  207   1HG   ARG  29          2HG       ARG  29  15.547   1.716   0.933
  208   2HG   ARG  29          1HG       ARG  29  17.166   1.044   0.929
  209   1HD   ARG  29          2HD       ARG  29  16.627   0.084   3.211
  210   2HD   ARG  29          1HD       ARG  29  14.962   0.548   2.909
  211    HE   ARG  29           HE       ARG  29  15.818  -0.994   0.747
  212   1HH1  ARG  29          1HH1      ARG  29  15.295  -1.376   4.135
  213   2HH1  ARG  29          2HH1      ARG  29  14.800  -3.027   3.985
  214   1HH2  ARG  29          1HH2      ARG  29  15.168  -3.126   0.576
  215   2HH2  ARG  29          2HH2      ARG  29  14.727  -3.998   2.002
  216    H    VAL  30           H        VAL  30  13.359   3.957   3.017
  217    HA   VAL  30           HA       VAL  30  12.893   1.907   5.091
  218    HB   VAL  30           HB       VAL  30  11.030   3.302   5.953
  219   1HG1  VAL  30          1HG1      VAL  30  13.712   4.699   5.939
  220   2HG1  VAL  30          2HG1      VAL  30  13.239   3.388   7.018
  221   3HG1  VAL  30          3HG1      VAL  30  12.420   4.946   7.117
  222   1HG2  VAL  30          1HG2      VAL  30  10.872   5.667   5.302
  223   2HG2  VAL  30          2HG2      VAL  30  10.546   4.600   3.935
  224   3HG2  VAL  30          3HG2      VAL  30  12.106   5.411   4.070
  225    H    TRP  31           H        TRP  31  11.296   0.453   4.744
  226    HA   TRP  31           HA       TRP  31   9.598   0.811   2.350
  227   1HB   TRP  31          2HB       TRP  31  10.814  -1.700   3.521
  228   2HB   TRP  31          1HB       TRP  31   9.518  -1.736   2.326
  229    HD1  TRP  31           HD1      TRP  31  12.854   0.276   2.447
  230    HE1  TRP  31           HE1      TRP  31  14.039  -0.036   0.187
  231    HE3  TRP  31           HE3      TRP  31   9.506  -2.877   0.209
  232    HZ2  TRP  31           HZ2      TRP  31  13.617  -1.454  -2.223
  233    HZ3  TRP  31           HZ3      TRP  31   9.972  -3.668  -2.071
  234    HH2  TRP  31           HH2      TRP  31  11.987  -2.969  -3.263
  235    H    LEU  32           H        LEU  32   7.455   0.834   2.641
  236    HA   LEU  32           HA       LEU  32   6.403   0.362   5.325
  237   1HB   LEU  32          2HB       LEU  32   5.255   1.679   2.870
  238   2HB   LEU  32          1HB       LEU  32   4.277   1.332   4.285
  239    HG   LEU  32           HG       LEU  32   5.786   2.778   5.642
  240   1HD1  LEU  32          1HD1      LEU  32   7.324   4.311   4.504
  241   2HD1  LEU  32          2HD1      LEU  32   7.048   3.455   2.989
  242   3HD1  LEU  32          3HD1      LEU  32   7.822   2.628   4.340
  243   1HD2  LEU  32          1HD2      LEU  32   4.960   4.908   4.788
  244   2HD2  LEU  32          2HD2      LEU  32   3.705   3.672   4.721
  245   3HD2  LEU  32          3HD2      LEU  32   4.554   4.148   3.248
  246    H    GLN  33           H        GLN  33   4.546  -0.922   5.729
  247    HA   GLN  33           HA       GLN  33   4.214  -3.158   3.824
  248   1HB   GLN  33          2HB       GLN  33   5.201  -3.758   6.012
  249   2HB   GLN  33          1HB       GLN  33   3.791  -3.103   6.830
  250   1HG   GLN  33          2HG       GLN  33   3.636  -5.495   6.762
  251   2HG   GLN  33          1HG       GLN  33   2.389  -4.809   5.723
  252   1HE2  GLN  33          1HE2      GLN  33   2.510  -5.132   3.518
  253   2HE2  GLN  33          2HE2      GLN  33   3.599  -6.266   2.805
  254    H    ILE  34           H        ILE  34   2.398  -2.862   2.661
  255    HA   ILE  34           HA       ILE  34   0.136  -1.383   3.576
  256    HB   ILE  34           HB       ILE  34   0.413  -3.237   1.200
  257   1HG1  ILE  34          2HG1      ILE  34   0.518  -0.213   1.375
  258   2HG1  ILE  34          1HG1      ILE  34   1.909  -1.266   1.151
  259   1HG2  ILE  34          1HG2      ILE  34  -1.613  -2.160   0.321
  260   2HG2  ILE  34          2HG2      ILE  34  -1.785  -1.259   1.828
  261   3HG2  ILE  34          3HG2      ILE  34  -1.932  -3.017   1.829
  262   1HD1  ILE  34          1HD1      ILE  34  -0.390  -0.950  -0.761
  263   2HD1  ILE  34          2HD1      ILE  34   1.011  -1.997  -0.990
  264   3HD1  ILE  34          3HD1      ILE  34   1.219  -0.247  -0.934
  265    HA   PRO  35           HA       PRO  35  -1.864  -4.924   5.588
  266   1HB   PRO  35          2HB       PRO  35  -3.666  -3.563   6.994
  267   2HB   PRO  35          1HB       PRO  35  -1.943  -3.412   7.382
  268   1HG   PRO  35          2HG       PRO  35  -3.686  -1.571   5.771
  269   2HG   PRO  35          1HG       PRO  35  -2.535  -1.157   7.050
  270   1HD   PRO  35          2HD       PRO  35  -1.955  -1.023   4.362
  271   2HD   PRO  35          1HD       PRO  35  -0.732  -1.263   5.625
  272    H    GLU  36           H        GLU  36  -3.307  -6.220   4.550
  273    HA   GLU  36           HA       GLU  36  -5.068  -5.414   2.526
  274   1HB   GLU  36          2HB       GLU  36  -5.440  -7.865   4.267
  275   2HB   GLU  36          1HB       GLU  36  -6.047  -7.624   2.636
  276   1HG   GLU  36          2HG       GLU  36  -4.257  -8.897   2.111
  277   2HG   GLU  36          1HG       GLU  36  -3.430  -7.341   2.146
  278    H    ASP  37           H        ASP  37  -5.377  -5.321   5.925
  279    HA   ASP  37           HA       ASP  37  -8.130  -5.290   6.341
  280   1HB   ASP  37          2HB       ASP  37  -6.065  -3.641   7.823
  281   2HB   ASP  37          1HB       ASP  37  -7.609  -4.218   8.445
  282    H    THR  38           H        THR  38  -5.981  -2.775   5.169
  283    HA   THR  38           HA       THR  38  -8.258  -0.892   4.931
  284    HB   THR  38           HB       THR  38  -6.650   0.932   4.875
  285    HG1  THR  38           HG1      THR  38  -4.467   0.597   4.857
  286   1HG2  THR  38          1HG2      THR  38  -5.709   0.795   7.133
  287   2HG2  THR  38          2HG2      THR  38  -6.006  -0.944   7.157
  288   3HG2  THR  38          3HG2      THR  38  -7.363   0.184   7.103
  289    H    GLY  39           H        GLY  39  -5.315  -2.041   3.304
  290   1HA   GLY  39          2HA       GLY  39  -5.237  -2.665   1.005
  291   2HA   GLY  39          1HA       GLY  39  -6.602  -1.601   0.695
  292    H    TRP  40           H        TRP  40  -4.532   0.025   2.697
  293    HA   TRP  40           HA       TRP  40  -2.723   1.067   0.683
  294   1HB   TRP  40          2HB       TRP  40  -3.572   3.374   0.800
  295   2HB   TRP  40          1HB       TRP  40  -4.806   2.286   0.170
  296    HD1  TRP  40           HD1      TRP  40  -6.892   1.721   1.824
  297    HE1  TRP  40           HE1      TRP  40  -7.905   3.060   3.775
  298    HE3  TRP  40           HE3      TRP  40  -3.023   4.947   2.705
  299    HZ2  TRP  40           HZ2      TRP  40  -7.171   5.183   5.458
  300    HZ3  TRP  40           HZ3      TRP  40  -3.261   6.598   4.515
  301    HH2  TRP  40           HH2      TRP  40  -5.290   6.711   5.858
  302    H    VAL  41           H        VAL  41  -1.211   2.665   1.564
  303    HA   VAL  41           HA       VAL  41  -1.347   3.209   4.428
  304    HB   VAL  41           HB       VAL  41  -0.024   1.124   4.292
  305   1HG1  VAL  41          1HG1      VAL  41   2.174   1.083   3.245
  306   2HG1  VAL  41          2HG1      VAL  41   1.947   2.733   2.663
  307   3HG1  VAL  41          3HG1      VAL  41   0.923   1.434   2.052
  308   1HG2  VAL  41          1HG2      VAL  41   1.582   3.557   5.095
  309   2HG2  VAL  41          2HG2      VAL  41   1.920   1.900   5.592
  310   3HG2  VAL  41          3HG2      VAL  41   0.426   2.683   6.103
  311    H    GLU  42           H        GLU  42  -0.841   5.295   4.789
  312    HA   GLU  42           HA       GLU  42   0.427   6.809   2.620
  313   1HB   GLU  42          2HB       GLU  42  -0.356   8.811   3.757
  314   2HB   GLU  42          1HB       GLU  42  -1.684   7.680   3.545
  315   1HG   GLU  42          2HG       GLU  42  -1.483   6.996   5.888
  316   2HG   GLU  42          1HG       GLU  42  -0.136   8.113   6.100
  317    H    CYS  43           H        CYS  43   2.320   7.983   2.849
  318    HA   CYS  43           HA       CYS  43   4.198   7.021   4.771
  319   1HB   CYS  43          2HB       CYS  43   5.011   7.656   2.595
  320   2HB   CYS  43          1HB       CYS  43   4.389   9.295   2.786
  321    HG   CYS  43           HG       CYS  43   7.326   8.805   3.072
  322    HA   PRO  44           HA       PRO  44   3.304  10.023   7.968
  323   1HB   PRO  44          2HB       PRO  44   5.250   9.335   9.704
  324   2HB   PRO  44          1HB       PRO  44   3.840   8.305   9.423
  325   1HG   PRO  44          2HG       PRO  44   6.613   8.066   8.303
  326   2HG   PRO  44          1HG       PRO  44   5.551   6.797   8.942
  327   1HD   PRO  44          2HD       PRO  44   5.859   7.298   6.270
  328   2HD   PRO  44          1HD       PRO  44   4.378   6.613   6.972
  329    H    TYR  45           H        TYR  45   5.878  10.141   5.841
  330    HA   TYR  45           HA       TYR  45   7.189  12.401   7.183
  331   1HB   TYR  45          2HB       TYR  45   8.055  10.841   4.733
  332   2HB   TYR  45          1HB       TYR  45   8.958  12.161   5.468
  333    HD1  TYR  45           HD2      TYR  45   9.665  11.864   7.937
  334    HD2  TYR  45           HD1      TYR  45   8.408   8.637   5.457
  335    HE1  TYR  45           HE2      TYR  45  10.777  10.277   9.448
  336    HE2  TYR  45           HE1      TYR  45   9.517   7.042   6.965
  337    HH   TYR  45           HH       TYR  45  10.580   7.876  10.060
  338    H    CYS  46           H        CYS  46   6.972  11.989   3.660
  339    HA   CYS  46           HA       CYS  46   4.978  14.000   3.254
  340   1HB   CYS  46          2HB       CYS  46   6.872  15.408   4.088
  341   2HB   CYS  46          1HB       CYS  46   7.835  14.861   2.724
  342    HG   CYS  46           HG       CYS  46   6.081  15.976   0.806
  343    H    ASP  47           H        ASP  47   5.978  11.342   2.235
  344    HA   ASP  47           HA       ASP  47   6.867  11.898  -0.471
  345   1HB   ASP  47          2HB       ASP  47   6.339   9.225   0.846
  346   2HB   ASP  47          1HB       ASP  47   7.253   9.514  -0.632
  347    H    CYS  48           H        CYS  48   4.592   9.272   0.300
  348    HA   CYS  48           HA       CYS  48   2.435  10.499  -1.216
  349   1HB   CYS  48          2HB       CYS  48   3.884   8.063  -2.295
  350   2HB   CYS  48          1HB       CYS  48   2.338   8.650  -2.899
  351    HG   CYS  48           HG       CYS  48   5.426   9.671  -3.584
  352    H    LYS  49           H        LYS  49   0.671   8.742  -1.666
  353    HA   LYS  49           HA       LYS  49   0.359   7.001   0.703
  354   1HB   LYS  49          2HB       LYS  49  -1.337   8.773   0.516
  355   2HB   LYS  49          1HB       LYS  49  -1.750   8.225  -1.104
  356   1HG   LYS  49          2HG       LYS  49  -2.499   6.069  -0.153
  357   2HG   LYS  49          1HG       LYS  49  -2.144   6.683   1.462
  358   1HD   LYS  49          2HD       LYS  49  -4.143   7.871  -0.476
  359   2HD   LYS  49          1HD       LYS  49  -4.536   6.868   0.922
  360   1HE   LYS  49          2HE       LYS  49  -3.547   8.566   2.405
  361   2HE   LYS  49          1HE       LYS  49  -3.171   9.564   1.002
  362   1HZ   LYS  49          1HZ       LYS  49  -5.559   9.673   0.524
  363   2HZ   LYS  49          2HZ       LYS  49  -5.188  10.319   2.045
  364   3HZ   LYS  49          3HZ       LYS  49  -5.884   8.787   1.928
  365    H    TYR  50           H        TYR  50   0.426   4.829   0.321
  366    HA   TYR  50           HA       TYR  50   0.586   4.010  -2.504
  367   1HB   TYR  50          2HB       TYR  50   1.681   2.565  -0.075
  368   2HB   TYR  50          1HB       TYR  50   2.032   2.216  -1.768
  369    HD1  TYR  50           HD1      TYR  50   3.324   3.924  -3.118
  370    HD2  TYR  50           HD2      TYR  50   2.928   4.198   1.113
  371    HE1  TYR  50           HE1      TYR  50   5.225   5.478  -3.043
  372    HE2  TYR  50           HE2      TYR  50   4.830   5.755   1.195
  373    HH   TYR  50           HH       TYR  50   6.762   6.385  -0.123
  374    H    VAL  51           H        VAL  51  -1.126   2.975  -3.294
  375    HA   VAL  51           HA       VAL  51  -2.808   1.343  -1.494
  376    HB   VAL  51           HB       VAL  51  -3.434   2.467  -4.237
  377   1HG1  VAL  51          1HG1      VAL  51  -4.585   0.344  -3.893
  378   2HG1  VAL  51          2HG1      VAL  51  -5.733   1.683  -3.834
  379   3HG1  VAL  51          3HG1      VAL  51  -5.203   0.909  -2.340
  380   1HG2  VAL  51          1HG2      VAL  51  -5.001   3.929  -3.052
  381   2HG2  VAL  51          2HG2      VAL  51  -3.351   4.178  -2.482
  382   3HG2  VAL  51          3HG2      VAL  51  -4.487   3.245  -1.510
  383    H    LEU  52           H        LEU  52  -3.055  -0.822  -1.795
  384    HA   LEU  52           HA       LEU  52  -1.303  -2.125  -3.722
  385   1HB   LEU  52          2HB       LEU  52  -1.364  -2.912  -1.403
  386   2HB   LEU  52          1HB       LEU  52  -3.070  -3.278  -1.557
  387    HG   LEU  52           HG       LEU  52  -2.558  -5.016  -3.224
  388   1HD1  LEU  52          1HD1      LEU  52   0.327  -4.319  -2.673
  389   2HD1  LEU  52          2HD1      LEU  52  -0.540  -4.068  -4.190
  390   3HD1  LEU  52          3HD1      LEU  52  -0.235  -5.705  -3.612
  391   1HD2  LEU  52          1HD2      LEU  52  -1.483  -6.619  -1.698
  392   2HD2  LEU  52          2HD2      LEU  52  -2.713  -5.655  -0.880
  393   3HD2  LEU  52          3HD2      LEU  52  -1.003  -5.288  -0.646
  394    H    LYS  53           H        LYS  53  -1.947  -2.798  -5.648
  395    HA   LYS  53           HA       LYS  53  -4.633  -2.642  -6.555
  396   1HB   LYS  53          2HB       LYS  53  -2.266  -2.605  -7.819
  397   2HB   LYS  53          1HB       LYS  53  -2.637  -4.308  -8.037
  398   1HG   LYS  53          2HG       LYS  53  -4.400  -2.016  -8.903
  399   2HG   LYS  53          1HG       LYS  53  -3.314  -2.928  -9.950
  400   1HD   LYS  53          2HD       LYS  53  -4.587  -4.951  -9.595
  401   2HD   LYS  53          1HD       LYS  53  -5.607  -4.141  -8.402
  402   1HE   LYS  53          2HE       LYS  53  -5.426  -3.459 -11.341
  403   2HE   LYS  53          1HE       LYS  53  -6.743  -4.333 -10.559
  404   1HZ   LYS  53          1HZ       LYS  53  -7.108  -2.328  -9.169
  405   2HZ   LYS  53          2HZ       LYS  53  -7.376  -2.065 -10.820
  406   3HZ   LYS  53          3HZ       LYS  53  -5.955  -1.508 -10.101
  407    H    GLY  54           H        GLY  54  -6.228  -4.144  -6.543
  408   1HA   GLY  54          2HA       GLY  54  -7.236  -6.243  -6.426
  409   2HA   GLY  54          1HA       GLY  54  -5.657  -6.972  -6.174
  410    H    SER  55           H        SER  55  -6.220  -4.321  -4.123
  411    HA   SER  55           HA       SER  55  -6.915  -6.132  -1.893
  412   1HB   SER  55          2HB       SER  55  -4.696  -4.989  -1.752
  413   2HB   SER  55          1HB       SER  55  -5.533  -3.438  -1.729
  414    HG   SER  55           HG       SER  55  -5.404  -5.439   0.232
  415    H    LYS  56           H        LYS  56  -7.727  -4.415   0.033
  416    HA   LYS  56           HA       LYS  56 -10.431  -4.066  -0.557
  417   1HB   LYS  56          2HB       LYS  56  -9.611  -4.343   1.722
  418   2HB   LYS  56          1HB       LYS  56  -8.784  -2.793   1.638
  419   1HG   LYS  56          2HG       LYS  56 -10.944  -1.654   1.420
  420   2HG   LYS  56          1HG       LYS  56 -11.771  -3.209   1.518
  421   1HD   LYS  56          2HD       LYS  56 -10.818  -3.541   3.777
  422   2HD   LYS  56          1HD       LYS  56 -10.056  -1.952   3.668
  423   1HE   LYS  56          2HE       LYS  56 -12.100  -1.777   4.941
  424   2HE   LYS  56          1HE       LYS  56 -12.287  -0.927   3.409
  425   1HZ   LYS  56          1HZ       LYS  56 -13.427  -2.949   2.558
  426   2HZ   LYS  56          2HZ       LYS  56 -14.248  -2.187   3.822
  427   3HZ   LYS  56          3HZ       LYS  56 -13.371  -3.598   4.118
  428    H    ALA  57           H        ALA  57  -7.885  -1.577  -0.383
  429    HA   ALA  57           HA       ALA  57  -9.668   0.587  -0.942
  430   1HB   ALA  57          1HB       ALA  57  -7.620   0.897   0.365
  431   2HB   ALA  57          2HB       ALA  57  -7.669   1.969  -1.037
  432   3HB   ALA  57          3HB       ALA  57  -6.656   0.526  -1.068
  433    H    ASP  58           H        ASP  58  -8.203  -1.726  -2.974
  434    HA   ASP  58           HA       ASP  58  -7.814  -0.079  -5.281
  435   1HB   ASP  58          2HB       ASP  58  -6.579  -2.172  -5.038
  436   2HB   ASP  58          1HB       ASP  58  -8.084  -3.087  -5.062
  437    H    ALA  59           H        ALA  59  -9.797   1.059  -5.370
  438    HA   ALA  59           HA       ALA  59 -11.697  -0.225  -7.156
  439   1HB   ALA  59          1HB       ALA  59 -13.675   0.357  -5.842
  440   2HB   ALA  59          2HB       ALA  59 -12.653   0.992  -4.552
  441   3HB   ALA  59          3HB       ALA  59 -12.629  -0.731  -4.929
  442    H    LEU  60           H        LEU  60  -9.692   2.060  -6.977
  443    HA   LEU  60           HA       LEU  60 -11.470   4.229  -7.896
  444   1HB   LEU  60          2HB       LEU  60  -9.746   5.810  -6.872
  445   2HB   LEU  60          1HB       LEU  60 -10.836   4.980  -5.780
  446    HG   LEU  60           HG       LEU  60  -8.986   3.318  -5.324
  447   1HD1  LEU  60          1HD1      LEU  60  -6.680   4.025  -5.824
  448   2HD1  LEU  60          2HD1      LEU  60  -7.311   5.337  -6.820
  449   3HD1  LEU  60          3HD1      LEU  60  -7.604   3.660  -7.281
  450   1HD2  LEU  60          1HD2      LEU  60  -7.765   4.821  -3.810
  451   2HD2  LEU  60          2HD2      LEU  60  -9.506   5.089  -3.751
  452   3HD2  LEU  60          3HD2      LEU  60  -8.471   6.213  -4.632
  453    H    GLU  61           H        GLU  61  -9.577   2.129  -9.198
  454    HA   GLU  61           HA       GLU  61  -7.350   3.409 -10.293
  455   1HB   GLU  61          2HB       GLU  61  -7.363   1.634 -12.006
  456   2HB   GLU  61          1HB       GLU  61  -7.590   0.999 -10.384
  457   1HG   GLU  61          2HG       GLU  61  -9.992   0.773 -10.803
  458   2HG   GLU  61          1HG       GLU  61  -9.769   1.418 -12.429
  459    H    HIS  62           H        HIS  62  -6.997   4.699 -12.031
  460    HA   HIS  62           HA       HIS  62  -9.360   5.932 -13.236
  461   1HB   HIS  62          2HB       HIS  62  -6.446   6.761 -13.358
  462   2HB   HIS  62          1HB       HIS  62  -7.811   7.697 -13.964
  463    HD1  HIS  62           HD1      HIS  62  -5.812   7.110 -10.964
  464    HD2  HIS  62           HD2      HIS  62  -9.587   8.623 -11.826
  465    HE1  HIS  62           HE1      HIS  62  -6.533   8.336  -8.893
  466    HE2  HIS  62           HE2      HIS  62  -8.851   9.171  -9.402
  467    H    HIS  63           H        HIS  63 -10.069   5.124 -15.107
  468    HA   HIS  63           HA       HIS  63  -8.303   3.553 -16.792
  469   1HB   HIS  63          2HB       HIS  63 -11.243   4.228 -17.117
  470   2HB   HIS  63          1HB       HIS  63 -10.345   3.088 -18.115
  471    HD1  HIS  63           HD1      HIS  63 -10.223   0.730 -17.294
  472    HD2  HIS  63           HD2      HIS  63 -11.540   3.350 -14.357
  473    HE1  HIS  63           HE1      HIS  63 -10.962  -0.720 -15.382
  474    HE2  HIS  63           HE2      HIS  63 -11.894   0.883 -13.684
  475    H    HIS  64           H        HIS  64  -6.910   5.432 -17.301
  476    HA   HIS  64           HA       HIS  64  -6.074   6.957 -18.764
  477   1HB   HIS  64          2HB       HIS  64  -8.585   6.389 -20.360
  478   2HB   HIS  64          1HB       HIS  64  -7.273   7.422 -20.916
  479    HD1  HIS  64           HD1      HIS  64  -8.408   4.347 -21.797
  480    HD2  HIS  64           HD2      HIS  64  -4.714   5.562 -20.324
  481    HE1  HIS  64           HE1      HIS  64  -6.775   2.587 -22.527
  482    HE2  HIS  64           HE2      HIS  64  -4.529   3.471 -21.833
  483    H    HIS  65           H        HIS  65  -9.554   7.474 -18.231
  484    HA   HIS  65           HA       HIS  65  -9.797  10.162 -18.646
  485   1HB   HIS  65          2HB       HIS  65 -11.711   8.773 -18.187
  486   2HB   HIS  65          1HB       HIS  65 -11.140   8.437 -16.557
  487    HD1  HIS  65           HD1      HIS  65 -11.639  10.169 -14.750
  488    HD2  HIS  65           HD2      HIS  65 -12.856  11.356 -18.541
  489    HE1  HIS  65           HE1      HIS  65 -13.074  12.187 -14.392
  490    HE2  HIS  65           HE2      HIS  65 -13.587  13.021 -16.703
  491    H    HIS  66           H        HIS  66  -8.935  11.926 -17.800
  492    HA   HIS  66           HA       HIS  66  -8.011  11.890 -14.988
  493   1HB   HIS  66          2HB       HIS  66  -6.186  12.122 -16.690
  494   2HB   HIS  66          1HB       HIS  66  -6.938  13.611 -17.247
  495    HD1  HIS  66           HD1      HIS  66  -4.828  12.215 -14.516
  496    HD2  HIS  66           HD2      HIS  66  -6.631  15.828 -15.506
  497    HE1  HIS  66           HE1      HIS  66  -3.798  13.921 -12.996
  498    HE2  HIS  66           HE2      HIS  66  -5.035  16.049 -13.482
  499    H    HIS  67           H        HIS  67  -9.237  14.083 -17.541
  500    HA   HIS  67           HA       HIS  67 -10.427  15.821 -15.503
  501   1HB   HIS  67          2HB       HIS  67  -9.222  16.947 -17.288
  502   2HB   HIS  67          1HB       HIS  67 -10.202  16.141 -18.507
  503    HD1  HIS  67           HD1      HIS  67 -10.566  18.683 -15.720
  504    HD2  HIS  67           HD2      HIS  67 -12.508  17.453 -19.178
  505    HE1  HIS  67           HE1      HIS  67 -12.417  20.332 -16.065
  506    HE2  HIS  67           HE2      HIS  67 -13.720  19.418 -18.010
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -4.911  15.180 -17.178
    2   2H    MET   1          2H        MET   1  -5.980  14.566 -18.334
    3   3H    MET   1          3H        MET   1  -5.606  13.655 -16.965
    4    HA   MET   1           HA       MET   1  -7.046  16.238 -16.987
    5   1HB   MET   1          2HB       MET   1  -8.456  14.516 -17.892
    6   2HB   MET   1          1HB       MET   1  -8.013  13.397 -16.610
    7   1HG   MET   1          2HG       MET   1 -10.266  14.362 -16.336
    8   2HG   MET   1          1HG       MET   1  -9.192  14.702 -14.980
    9   1HE   MET   1          1HE       MET   1 -10.636  16.618 -14.020
   10   2HE   MET   1          2HE       MET   1 -11.866  16.332 -15.251
   11   3HE   MET   1          3HE       MET   1 -11.271  17.967 -14.961
   12    H    THR   2           H        THR   2  -6.693  13.357 -14.846
   13    HA   THR   2           HA       THR   2  -6.122  15.218 -12.605
   14    HB   THR   2           HB       THR   2  -7.719  12.676 -12.217
   15    HG1  THR   2           HG1      THR   2  -9.441  13.621 -12.991
   16   1HG2  THR   2          1HG2      THR   2  -7.532  15.247 -10.629
   17   2HG2  THR   2          2HG2      THR   2  -6.774  13.711 -10.211
   18   3HG2  THR   2          3HG2      THR   2  -8.532  13.854 -10.212
   19    H    ILE   3           H        ILE   3  -4.570  13.224 -14.417
   20    HA   ILE   3           HA       ILE   3  -2.745  11.884 -14.245
   21    HB   ILE   3           HB       ILE   3  -2.894  12.405 -11.262
   22   1HG1  ILE   3          2HG1      ILE   3  -1.252  13.779 -13.414
   23   2HG1  ILE   3          1HG1      ILE   3  -2.641  14.477 -12.589
   24   1HG2  ILE   3          1HG2      ILE   3  -1.555  10.426 -11.750
   25   2HG2  ILE   3          2HG2      ILE   3  -0.519  11.753 -11.228
   26   3HG2  ILE   3          3HG2      ILE   3  -0.616  11.332 -12.937
   27   1HD1  ILE   3          1HD1      ILE   3  -0.018  13.716 -11.318
   28   2HD1  ILE   3          2HD1      ILE   3  -1.408  14.399 -10.474
   29   3HD1  ILE   3          3HD1      ILE   3  -0.564  15.348 -11.698
   30    H    GLN   4           H        GLN   4  -5.586  11.185 -12.429
   31    HA   GLN   4           HA       GLN   4  -6.636   9.323 -11.737
   32   1HB   GLN   4          2HB       GLN   4  -4.714   7.903 -13.605
   33   2HB   GLN   4          1HB       GLN   4  -6.152   7.185 -12.887
   34   1HG   GLN   4          2HG       GLN   4  -7.541   8.856 -14.056
   35   2HG   GLN   4          1HG       GLN   4  -6.089   9.510 -14.808
   36   1HE2  GLN   4          1HE2      GLN   4  -6.665   6.096 -14.267
   37   2HE2  GLN   4          2HE2      GLN   4  -6.820   5.675 -15.933
   38    H    ALA   5           H        ALA   5  -3.962  10.271 -10.581
   39    HA   ALA   5           HA       ALA   5  -3.813   8.242  -8.512
   40   1HB   ALA   5          1HB       ALA   5  -1.383   8.975 -10.154
   41   2HB   ALA   5          2HB       ALA   5  -2.191   7.408 -10.123
   42   3HB   ALA   5          3HB       ALA   5  -1.365   8.002  -8.683
   43    HA   PRO   6           HA       PRO   6  -3.083  12.848  -7.429
   44   1HB   PRO   6          2HB       PRO   6  -5.325  13.234  -5.910
   45   2HB   PRO   6          1HB       PRO   6  -5.262  13.547  -7.648
   46   1HG   PRO   6          2HG       PRO   6  -6.326  11.152  -6.192
   47   2HG   PRO   6          1HG       PRO   6  -7.020  12.022  -7.575
   48   1HD   PRO   6          2HD       PRO   6  -5.669   9.696  -7.869
   49   2HD   PRO   6          1HD       PRO   6  -5.622  10.976  -9.098
   50    H    GLU   7           H        GLU   7  -1.360  12.019  -6.198
   51    HA   GLU   7           HA       GLU   7  -0.182  11.528  -4.318
   52   1HB   GLU   7          2HB       GLU   7  -1.511  13.447  -3.406
   53   2HB   GLU   7          1HB       GLU   7  -2.694  12.298  -2.804
   54   1HG   GLU   7          2HG       GLU   7  -1.132  11.380  -1.260
   55   2HG   GLU   7          1HG       GLU   7   0.203  12.267  -1.994
   56    H    THR   8           H        THR   8  -2.073   9.649  -5.639
   57    HA   THR   8           HA       THR   8  -2.253   7.548  -3.563
   58    HB   THR   8           HB       THR   8  -4.152   7.981  -5.896
   59    HG1  THR   8           HG1      THR   8  -4.375   9.442  -4.038
   60   1HG2  THR   8          1HG2      THR   8  -4.216   5.933  -3.672
   61   2HG2  THR   8          2HG2      THR   8  -3.880   5.606  -5.373
   62   3HG2  THR   8          3HG2      THR   8  -5.477   6.171  -4.878
   63    H    LYS   9           H        LYS   9  -0.757   6.015  -4.024
   64    HA   LYS   9           HA       LYS   9   0.148   5.766  -6.810
   65   1HB   LYS   9          2HB       LYS   9   1.577   6.147  -4.444
   66   2HB   LYS   9          1HB       LYS   9   1.824   4.447  -4.810
   67   1HG   LYS   9          2HG       LYS   9   2.366   6.725  -6.719
   68   2HG   LYS   9          1HG       LYS   9   3.581   5.908  -5.736
   69   1HD   LYS   9          2HD       LYS   9   3.114   3.798  -6.883
   70   2HD   LYS   9          1HD       LYS   9   1.860   4.585  -7.844
   71   1HE   LYS   9          2HE       LYS   9   3.476   5.972  -8.943
   72   2HE   LYS   9          1HE       LYS   9   4.757   5.435  -7.856
   73   1HZ   LYS   9          1HZ       LYS   9   4.463   3.182  -8.778
   74   2HZ   LYS   9          2HZ       LYS   9   4.974   4.308  -9.928
   75   3HZ   LYS   9          3HZ       LYS   9   3.363   3.802  -9.903
   76    H    ILE  10           H        ILE  10  -0.577   4.068  -7.894
   77    HA   ILE  10           HA       ILE  10  -1.819   1.843  -6.511
   78    HB   ILE  10           HB       ILE  10  -1.506   2.398  -9.476
   79   1HG1  ILE  10          2HG1      ILE  10  -4.026   2.699  -9.322
   80   2HG1  ILE  10          1HG1      ILE  10  -3.850   2.665  -7.572
   81   1HG2  ILE  10          1HG2      ILE  10  -1.597   0.001  -9.116
   82   2HG2  ILE  10          2HG2      ILE  10  -3.113   0.558  -9.823
   83   3HG2  ILE  10          3HG2      ILE  10  -3.029   0.179  -8.101
   84   1HD1  ILE  10          1HD1      ILE  10  -4.039   4.931  -8.463
   85   2HD1  ILE  10          2HD1      ILE  10  -2.568   4.680  -9.401
   86   3HD1  ILE  10          3HD1      ILE  10  -2.503   4.666  -7.639
   87    H    VAL  11           H        VAL  11  -0.379   0.467  -5.601
   88    HA   VAL  11           HA       VAL  11   1.951  -0.438  -7.168
   89    HB   VAL  11           HB       VAL  11   2.852  -1.294  -5.038
   90   1HG1  VAL  11          1HG1      VAL  11   3.453   0.954  -5.721
   91   2HG1  VAL  11          2HG1      VAL  11   3.262   0.900  -3.967
   92   3HG1  VAL  11          3HG1      VAL  11   1.996   1.605  -4.972
   93   1HG2  VAL  11          1HG2      VAL  11   0.748  -1.789  -3.900
   94   2HG2  VAL  11          2HG2      VAL  11   0.381  -0.067  -3.805
   95   3HG2  VAL  11          3HG2      VAL  11   1.756  -0.726  -2.918
   96    H    ASP  12           H        ASP  12   2.601  -2.791  -6.734
   97    HA   ASP  12           HA       ASP  12   0.199  -4.433  -7.196
   98   1HB   ASP  12          2HB       ASP  12   1.772  -6.013  -8.337
   99   2HB   ASP  12          1HB       ASP  12   1.664  -4.425  -9.091
  100    H    LYS  13           H        LYS  13   2.829  -4.059  -4.978
  101    HA   LYS  13           HA       LYS  13   1.969  -6.516  -3.587
  102   1HB   LYS  13          2HB       LYS  13   4.818  -5.575  -3.960
  103   2HB   LYS  13          1HB       LYS  13   4.338  -6.857  -2.854
  104   1HG   LYS  13          2HG       LYS  13   3.488  -8.169  -4.734
  105   2HG   LYS  13          1HG       LYS  13   3.956  -6.881  -5.845
  106   1HD   LYS  13          2HD       LYS  13   6.311  -7.172  -5.138
  107   2HD   LYS  13          1HD       LYS  13   5.810  -8.516  -4.107
  108   1HE   LYS  13          2HE       LYS  13   4.999  -9.725  -6.077
  109   2HE   LYS  13          1HE       LYS  13   5.489  -8.380  -7.108
  110   1HZ   LYS  13          1HZ       LYS  13   7.271 -10.111  -5.489
  111   2HZ   LYS  13          2HZ       LYS  13   7.787  -8.748  -6.343
  112   3HZ   LYS  13          3HZ       LYS  13   7.150 -10.076  -7.175
  113    H    SER  14           H        SER  14   2.659  -6.557  -1.262
  114    HA   SER  14           HA       SER  14   1.664  -4.131  -0.052
  115   1HB   SER  14          2HB       SER  14   2.521  -6.695   1.316
  116   2HB   SER  14          1HB       SER  14   1.517  -5.416   2.001
  117    HG   SER  14           HG       SER  14  -0.087  -6.545   1.228
  118    H    ARG  15           H        ARG  15   4.759  -5.868  -0.033
  119    HA   ARG  15           HA       ARG  15   5.905  -4.000   1.887
  120   1HB   ARG  15          2HB       ARG  15   6.470  -6.438   1.922
  121   2HB   ARG  15          1HB       ARG  15   7.253  -6.245   0.360
  122   1HG   ARG  15          2HG       ARG  15   8.904  -6.257   2.123
  123   2HG   ARG  15          1HG       ARG  15   8.847  -4.664   1.370
  124   1HD   ARG  15          2HD       ARG  15   7.570  -3.779   3.206
  125   2HD   ARG  15          1HD       ARG  15   7.393  -5.383   3.916
  126    HE   ARG  15           HE       ARG  15  10.054  -5.086   3.888
  127   1HH1  ARG  15          1HH1      ARG  15   7.573  -2.929   4.903
  128   2HH1  ARG  15          2HH1      ARG  15   8.533  -2.250   6.174
  129   1HH2  ARG  15          1HH2      ARG  15  11.270  -4.214   5.528
  130   2HH2  ARG  15          2HH2      ARG  15  10.590  -2.974   6.528
  131    H    VAL  16           H        VAL  16   6.412  -2.015   1.117
  132    HA   VAL  16           HA       VAL  16   7.728  -1.817  -1.527
  133    HB   VAL  16           HB       VAL  16   5.525   0.012  -0.533
  134   1HG1  VAL  16          1HG1      VAL  16   5.678   1.081  -2.735
  135   2HG1  VAL  16          2HG1      VAL  16   7.037   0.039  -3.152
  136   3HG1  VAL  16          3HG1      VAL  16   7.196   1.216  -1.850
  137   1HG2  VAL  16          1HG2      VAL  16   4.207  -0.891  -2.408
  138   2HG2  VAL  16          2HG2      VAL  16   4.630  -2.138  -1.234
  139   3HG2  VAL  16          3HG2      VAL  16   5.506  -2.031  -2.762
  140    H    ALA  17           H        ALA  17   9.487  -0.525  -1.594
  141    HA   ALA  17           HA       ALA  17  10.378   0.965   0.710
  142   1HB   ALA  17          1HB       ALA  17  11.950  -0.147  -0.845
  143   2HB   ALA  17          2HB       ALA  17  12.284   1.576  -0.665
  144   3HB   ALA  17          3HB       ALA  17  11.468   0.981  -2.112
  145    H    CYS  18           H        CYS  18   9.558   2.885   1.238
  146    HA   CYS  18           HA       CYS  18   8.493   4.638  -0.894
  147   1HB   CYS  18          2HB       CYS  18   7.437   4.335   1.929
  148   2HB   CYS  18          1HB       CYS  18   6.755   5.353   0.665
  149    HG   CYS  18           HG       CYS  18   6.856   1.930   0.612
  150    H    ASP  19           H        ASP  19   7.927   6.860   0.626
  151    HA   ASP  19           HA       ASP  19   8.750   8.707   1.624
  152   1HB   ASP  19          2HB       ASP  19  10.444   6.599   2.930
  153   2HB   ASP  19          1HB       ASP  19  10.697   8.300   3.290
  154    H    GLY  20           H        GLY  20  10.376   7.209  -0.776
  155   1HA   GLY  20          2HA       GLY  20  11.486   9.453  -1.832
  156   2HA   GLY  20          1HA       GLY  20  12.755   8.849  -0.782
  157    H    GLY  21           H        GLY  21  13.430   9.053  -3.346
  158   1HA   GLY  21          2HA       GLY  21  14.353   6.500  -4.006
  159   2HA   GLY  21          1HA       GLY  21  12.898   6.763  -4.947
  160    H    GLU  22           H        GLU  22  14.737   9.619  -4.359
  161    HA   GLU  22           HA       GLU  22  15.595   9.598  -7.164
  162   1HB   GLU  22          2HB       GLU  22  15.846  12.109  -6.789
  163   2HB   GLU  22          1HB       GLU  22  14.219  11.460  -6.741
  164   1HG   GLU  22          2HG       GLU  22  14.264  12.966  -4.985
  165   2HG   GLU  22          1HG       GLU  22  14.507  11.411  -4.196
  166    H    GLY  23           H        GLY  23  17.558  11.822  -6.662
  167   1HA   GLY  23          2HA       GLY  23  19.912  10.487  -6.826
  168   2HA   GLY  23          1HA       GLY  23  19.792  12.106  -6.173
  169    H    ALA  24           H        ALA  24  18.633  11.731  -3.727
  170    HA   ALA  24           HA       ALA  24  20.617  10.068  -2.304
  171   1HB   ALA  24          1HB       ALA  24  18.952  12.366  -1.270
  172   2HB   ALA  24          2HB       ALA  24  20.644  12.458  -1.761
  173   3HB   ALA  24          3HB       ALA  24  20.183  11.482  -0.364
  174    H    LEU  25           H        LEU  25  17.988   9.263  -3.536
  175    HA   LEU  25           HA       LEU  25  16.220   7.907  -3.162
  176   1HB   LEU  25          2HB       LEU  25  17.768   7.216  -0.661
  177   2HB   LEU  25          1HB       LEU  25  16.393   6.309  -1.265
  178    HG   LEU  25           HG       LEU  25  19.047   6.655  -2.676
  179   1HD1  LEU  25          1HD1      LEU  25  19.192   5.162  -0.752
  180   2HD1  LEU  25          2HD1      LEU  25  19.328   4.256  -2.259
  181   3HD1  LEU  25          3HD1      LEU  25  17.816   4.234  -1.351
  182   1HD2  LEU  25          1HD2      LEU  25  16.619   5.053  -3.491
  183   2HD2  LEU  25          2HD2      LEU  25  18.178   5.057  -4.313
  184   3HD2  LEU  25          3HD2      LEU  25  17.199   6.525  -4.273
  185    H    GLY  26           H        GLY  26  16.188  10.678  -2.055
  186   1HA   GLY  26          2HA       GLY  26  14.746  12.019  -0.864
  187   2HA   GLY  26          1HA       GLY  26  13.693  10.619  -0.717
  188    H    HIS  27           H        HIS  27  13.522   9.629   1.245
  189    HA   HIS  27           HA       HIS  27  15.335  10.477   3.397
  190   1HB   HIS  27          2HB       HIS  27  13.109   8.473   3.769
  191   2HB   HIS  27          1HB       HIS  27  13.776   9.613   4.933
  192    HD1  HIS  27           HD1      HIS  27  13.267  11.757   2.265
  193    HD2  HIS  27           HD2      HIS  27  10.634   9.744   4.749
  194    HE1  HIS  27           HE1      HIS  27  11.049  12.851   1.903
  195    HE2  HIS  27           HE2      HIS  27   9.442  11.435   3.201
  196    HA   PRO  28           HA       PRO  28  18.634   7.764   2.967
  197   1HB   PRO  28          2HB       PRO  28  17.478   6.312   5.332
  198   2HB   PRO  28          1HB       PRO  28  19.169   6.680   4.968
  199   1HG   PRO  28          2HG       PRO  28  17.606   8.241   6.592
  200   2HG   PRO  28          1HG       PRO  28  18.985   8.858   5.669
  201   1HD   PRO  28          2HD       PRO  28  16.195   9.502   5.330
  202   2HD   PRO  28          1HD       PRO  28  17.577  10.116   4.399
  203    H    ARG  29           H        ARG  29  15.980   5.616   4.061
  204    HA   ARG  29           HA       ARG  29  15.204   4.603   1.669
  205   1HB   ARG  29          2HB       ARG  29  17.601   3.717   1.557
  206   2HB   ARG  29          1HB       ARG  29  17.135   2.601   2.834
  207   1HG   ARG  29          2HG       ARG  29  16.952   1.572   0.625
  208   2HG   ARG  29          1HG       ARG  29  15.388   1.664   1.420
  209   1HD   ARG  29          2HD       ARG  29  14.729   3.520   0.068
  210   2HD   ARG  29          1HD       ARG  29  16.357   3.704  -0.580
  211    HE   ARG  29           HE       ARG  29  15.618   1.181  -1.306
  212   1HH1  ARG  29          1HH1      ARG  29  14.225   4.303  -1.776
  213   2HH1  ARG  29          2HH1      ARG  29  13.503   3.865  -3.282
  214   1HH2  ARG  29          1HH2      ARG  29  14.714   0.662  -3.249
  215   2HH2  ARG  29          2HH2      ARG  29  13.804   1.848  -4.122
  216    H    VAL  30           H        VAL  30  13.315   4.634   2.716
  217    HA   VAL  30           HA       VAL  30  12.958   3.037   5.153
  218    HB   VAL  30           HB       VAL  30  11.070   5.100   3.989
  219   1HG1  VAL  30          1HG1      VAL  30   9.979   3.501   5.478
  220   2HG1  VAL  30          2HG1      VAL  30  10.069   5.092   6.233
  221   3HG1  VAL  30          3HG1      VAL  30  11.184   3.819   6.726
  222   1HG2  VAL  30          1HG2      VAL  30  13.196   6.153   4.569
  223   2HG2  VAL  30          2HG2      VAL  30  13.141   5.421   6.173
  224   3HG2  VAL  30          3HG2      VAL  30  11.939   6.629   5.713
  225    H    TRP  31           H        TRP  31  11.870   1.171   5.120
  226    HA   TRP  31           HA       TRP  31  10.304   0.481   2.719
  227   1HB   TRP  31          2HB       TRP  31  11.767  -1.222   4.738
  228   2HB   TRP  31          1HB       TRP  31  10.590  -1.904   3.622
  229    HD1  TRP  31           HD1      TRP  31  13.999  -0.060   3.545
  230    HE1  TRP  31           HE1      TRP  31  15.209  -0.711   1.363
  231    HE3  TRP  31           HE3      TRP  31  10.296  -2.817   1.366
  232    HZ2  TRP  31           HZ2      TRP  31  14.657  -2.202  -0.970
  233    HZ3  TRP  31           HZ3      TRP  31  10.711  -3.820  -0.841
  234    HH2  TRP  31           HH2      TRP  31  12.846  -3.519  -1.986
  235    H    LEU  32           H        LEU  32   8.175   0.636   2.920
  236    HA   LEU  32           HA       LEU  32   6.929   0.434   5.570
  237   1HB   LEU  32          2HB       LEU  32   6.001   1.604   2.950
  238   2HB   LEU  32          1HB       LEU  32   4.877   1.291   4.259
  239    HG   LEU  32           HG       LEU  32   6.168   2.818   5.715
  240   1HD1  LEU  32          1HD1      LEU  32   8.358   2.601   4.691
  241   2HD1  LEU  32          2HD1      LEU  32   7.855   4.290   4.752
  242   3HD1  LEU  32          3HD1      LEU  32   7.771   3.401   3.231
  243   1HD2  LEU  32          1HD2      LEU  32   5.485   4.909   4.602
  244   2HD2  LEU  32          2HD2      LEU  32   4.238   3.668   4.512
  245   3HD2  LEU  32          3HD2      LEU  32   5.237   4.015   3.101
  246    H    GLN  33           H        GLN  33   4.624  -0.501   5.497
  247    HA   GLN  33           HA       GLN  33   4.459  -2.901   3.802
  248   1HB   GLN  33          2HB       GLN  33   5.470  -3.611   5.923
  249   2HB   GLN  33          1HB       GLN  33   4.161  -2.851   6.821
  250   1HG   GLN  33          2HG       GLN  33   3.775  -5.204   6.775
  251   2HG   GLN  33          1HG       GLN  33   2.572  -4.429   5.746
  252   1HE2  GLN  33          1HE2      GLN  33   2.200  -6.313   4.577
  253   2HE2  GLN  33          2HE2      GLN  33   3.353  -6.963   3.467
  254    H    ILE  34           H        ILE  34   2.567  -2.747   2.757
  255    HA   ILE  34           HA       ILE  34   0.380  -1.156   3.617
  256    HB   ILE  34           HB       ILE  34   0.458  -3.354   1.545
  257   1HG1  ILE  34          2HG1      ILE  34   0.658  -0.344   1.247
  258   2HG1  ILE  34          1HG1      ILE  34   1.989  -1.478   1.057
  259   1HG2  ILE  34          1HG2      ILE  34  -1.831  -2.971   2.268
  260   2HG2  ILE  34          2HG2      ILE  34  -1.598  -2.328   0.643
  261   3HG2  ILE  34          3HG2      ILE  34  -1.640  -1.234   2.025
  262   1HD1  ILE  34          1HD1      ILE  34  -0.463  -1.307  -0.678
  263   2HD1  ILE  34          2HD1      ILE  34   0.843  -2.476  -0.864
  264   3HD1  ILE  34          3HD1      ILE  34   1.160  -0.757  -1.093
  265    HA   PRO  35           HA       PRO  35  -1.395  -4.268   6.382
  266   1HB   PRO  35          2HB       PRO  35  -3.371  -2.719   7.379
  267   2HB   PRO  35          1HB       PRO  35  -1.687  -2.530   7.882
  268   1HG   PRO  35          2HG       PRO  35  -3.267  -0.925   5.908
  269   2HG   PRO  35          1HG       PRO  35  -2.139  -0.362   7.150
  270   1HD   PRO  35          2HD       PRO  35  -1.479  -0.626   4.505
  271   2HD   PRO  35          1HD       PRO  35  -0.297  -0.762   5.820
  272    H    GLU  36           H        GLU  36  -2.428  -5.829   5.293
  273    HA   GLU  36           HA       GLU  36  -4.099  -5.538   3.098
  274   1HB   GLU  36          2HB       GLU  36  -2.916  -7.602   3.737
  275   2HB   GLU  36          1HB       GLU  36  -4.020  -7.816   5.084
  276   1HG   GLU  36          2HG       GLU  36  -5.870  -8.162   3.581
  277   2HG   GLU  36          1HG       GLU  36  -4.853  -7.787   2.191
  278    H    ASP  37           H        ASP  37  -4.915  -5.271   6.471
  279    HA   ASP  37           HA       ASP  37  -7.697  -5.579   6.345
  280   1HB   ASP  37          2HB       ASP  37  -6.540  -5.407   8.477
  281   2HB   ASP  37          1HB       ASP  37  -6.027  -3.762   8.105
  282    H    THR  38           H        THR  38  -5.695  -2.676   5.797
  283    HA   THR  38           HA       THR  38  -8.048  -1.081   5.127
  284    HB   THR  38           HB       THR  38  -6.584   0.830   5.019
  285    HG1  THR  38           HG1      THR  38  -4.342   0.625   5.023
  286   1HG2  THR  38          1HG2      THR  38  -7.140   0.039   7.288
  287   2HG2  THR  38          2HG2      THR  38  -5.557   0.814   7.236
  288   3HG2  THR  38          3HG2      THR  38  -5.673  -0.945   7.296
  289    H    GLY  39           H        GLY  39  -5.030  -2.123   3.531
  290   1HA   GLY  39          2HA       GLY  39  -4.968  -2.815   1.225
  291   2HA   GLY  39          1HA       GLY  39  -6.363  -1.794   0.915
  292    H    TRP  40           H        TRP  40  -4.300  -0.078   2.873
  293    HA   TRP  40           HA       TRP  40  -2.575   0.965   0.773
  294   1HB   TRP  40          2HB       TRP  40  -3.423   3.310   1.083
  295   2HB   TRP  40          1HB       TRP  40  -4.569   2.232   0.295
  296    HD1  TRP  40           HD1      TRP  40  -6.865   1.795   1.499
  297    HE1  TRP  40           HE1      TRP  40  -8.003   2.815   3.568
  298    HE3  TRP  40           HE3      TRP  40  -2.862   4.289   3.499
  299    HZ2  TRP  40           HZ2      TRP  40  -7.312   4.447   5.754
  300    HZ3  TRP  40           HZ3      TRP  40  -3.193   5.558   5.585
  301    HH2  TRP  40           HH2      TRP  40  -5.372   5.636   6.687
  302    H    VAL  41           H        VAL  41  -0.985   2.501   1.543
  303    HA   VAL  41           HA       VAL  41  -0.895   3.026   4.422
  304    HB   VAL  41           HB       VAL  41   0.424   0.949   4.114
  305   1HG1  VAL  41          1HG1      VAL  41   2.532   0.961   2.895
  306   2HG1  VAL  41          2HG1      VAL  41   2.247   2.625   2.384
  307   3HG1  VAL  41          3HG1      VAL  41   1.188   1.335   1.814
  308   1HG2  VAL  41          1HG2      VAL  41   2.070   3.376   4.855
  309   2HG2  VAL  41          2HG2      VAL  41   2.454   1.708   5.284
  310   3HG2  VAL  41          3HG2      VAL  41   1.000   2.468   5.925
  311    H    GLU  42           H        GLU  42  -0.320   5.114   4.789
  312    HA   GLU  42           HA       GLU  42   0.737   6.618   2.495
  313   1HB   GLU  42          2HB       GLU  42  -0.177   8.636   3.642
  314   2HB   GLU  42          1HB       GLU  42  -1.388   7.457   3.173
  315   1HG   GLU  42          2HG       GLU  42  -1.492   6.641   5.482
  316   2HG   GLU  42          1HG       GLU  42  -0.283   7.835   5.950
  317    H    CYS  43           H        CYS  43   2.284   8.273   2.782
  318    HA   CYS  43           HA       CYS  43   4.499   7.445   4.356
  319   1HB   CYS  43          2HB       CYS  43   5.005   8.451   2.285
  320   2HB   CYS  43          1HB       CYS  43   3.961   9.833   2.599
  321    HG   CYS  43           HG       CYS  43   7.121   9.247   3.672
  322    HA   PRO  44           HA       PRO  44   3.631   9.845   8.038
  323   1HB   PRO  44          2HB       PRO  44   5.887   9.294   9.398
  324   2HB   PRO  44          1HB       PRO  44   4.659   8.055   9.107
  325   1HG   PRO  44          2HG       PRO  44   7.239   8.537   7.649
  326   2HG   PRO  44          1HG       PRO  44   6.538   7.004   8.199
  327   1HD   PRO  44          2HD       PRO  44   6.341   7.925   5.627
  328   2HD   PRO  44          1HD       PRO  44   5.147   6.846   6.376
  329    H    TYR  45           H        TYR  45   5.980  10.562   5.703
  330    HA   TYR  45           HA       TYR  45   6.804  13.010   7.116
  331   1HB   TYR  45          2HB       TYR  45   8.182  11.376   5.001
  332   2HB   TYR  45          1HB       TYR  45   8.629  13.058   5.281
  333    HD1  TYR  45           HD1      TYR  45   8.447   9.708   6.885
  334    HD2  TYR  45           HD2      TYR  45   9.968  13.680   7.142
  335    HE1  TYR  45           HE1      TYR  45   9.903   9.030   8.748
  336    HE2  TYR  45           HE2      TYR  45  11.428  13.009   9.001
  337    HH   TYR  45           HH       TYR  45  11.606  11.316  10.685
  338    H    CYS  46           H        CYS  46   6.979  12.572   3.584
  339    HA   CYS  46           HA       CYS  46   5.094  14.804   3.259
  340   1HB   CYS  46          2HB       CYS  46   7.329  15.796   3.730
  341   2HB   CYS  46          1HB       CYS  46   7.974  14.949   2.335
  342    HG   CYS  46           HG       CYS  46   5.701  16.391   0.857
  343    H    ASP  47           H        ASP  47   5.727  11.861   2.212
  344    HA   ASP  47           HA       ASP  47   6.018  12.425  -0.627
  345   1HB   ASP  47          2HB       ASP  47   5.998   9.793   0.857
  346   2HB   ASP  47          1HB       ASP  47   6.363   9.998  -0.858
  347    H    CYS  48           H        CYS  48   4.203   9.543   0.053
  348    HA   CYS  48           HA       CYS  48   1.662  10.774  -0.654
  349   1HB   CYS  48          2HB       CYS  48   3.062   8.888  -2.564
  350   2HB   CYS  48          1HB       CYS  48   1.385   9.408  -2.714
  351    HG   CYS  48           HG       CYS  48   2.699  12.211  -2.559
  352    H    LYS  49           H        LYS  49   0.025   8.887  -1.249
  353    HA   LYS  49           HA       LYS  49   0.318   6.793   0.803
  354   1HB   LYS  49          2HB       LYS  49  -1.604   8.242   1.134
  355   2HB   LYS  49          1HB       LYS  49  -2.150   7.948  -0.512
  356   1HG   LYS  49          2HG       LYS  49  -2.713   5.690  -0.015
  357   2HG   LYS  49          1HG       LYS  49  -1.896   5.762   1.545
  358   1HD   LYS  49          2HD       LYS  49  -4.326   5.886   1.814
  359   2HD   LYS  49          1HD       LYS  49  -3.550   7.376   2.349
  360   1HE   LYS  49          2HE       LYS  49  -4.109   8.395   0.149
  361   2HE   LYS  49          1HE       LYS  49  -4.988   6.922  -0.266
  362   1HZ   LYS  49          1HZ       LYS  49  -6.473   7.312   1.576
  363   2HZ   LYS  49          2HZ       LYS  49  -6.437   8.682   0.590
  364   3HZ   LYS  49          3HZ       LYS  49  -5.594   8.673   2.056
  365    H    TYR  50           H        TYR  50   0.506   4.714   0.211
  366    HA   TYR  50           HA       TYR  50   0.392   4.096  -2.661
  367   1HB   TYR  50          2HB       TYR  50   1.749   2.612  -0.389
  368   2HB   TYR  50          1HB       TYR  50   1.840   2.177  -2.093
  369    HD1  TYR  50           HD1      TYR  50   2.646   4.934   0.287
  370    HD2  TYR  50           HD2      TYR  50   3.519   3.100  -3.457
  371    HE1  TYR  50           HE1      TYR  50   4.586   6.416   0.020
  372    HE2  TYR  50           HE2      TYR  50   5.463   4.579  -3.730
  373    HH   TYR  50           HH       TYR  50   6.259   6.760  -2.912
  374    H    VAL  51           H        VAL  51  -1.435   3.175  -3.325
  375    HA   VAL  51           HA       VAL  51  -2.966   1.452  -1.494
  376    HB   VAL  51           HB       VAL  51  -3.771   2.629  -4.172
  377   1HG1  VAL  51          1HG1      VAL  51  -4.913   0.498  -3.743
  378   2HG1  VAL  51          2HG1      VAL  51  -6.034   1.855  -3.636
  379   3HG1  VAL  51          3HG1      VAL  51  -5.433   1.091  -2.163
  380   1HG2  VAL  51          1HG2      VAL  51  -5.222   4.093  -2.847
  381   2HG2  VAL  51          2HG2      VAL  51  -3.528   4.311  -2.405
  382   3HG2  VAL  51          3HG2      VAL  51  -4.600   3.376  -1.360
  383    H    LEU  52           H        LEU  52  -3.142  -0.693  -1.752
  384    HA   LEU  52           HA       LEU  52  -1.555  -2.050  -3.732
  385   1HB   LEU  52          2HB       LEU  52  -1.717  -2.881  -1.437
  386   2HB   LEU  52          1HB       LEU  52  -3.449  -3.094  -1.616
  387    HG   LEU  52           HG       LEU  52  -3.045  -4.843  -3.323
  388   1HD1  LEU  52          1HD1      LEU  52  -0.922  -4.082  -4.195
  389   2HD1  LEU  52          2HD1      LEU  52  -0.781  -5.744  -3.622
  390   3HD1  LEU  52          3HD1      LEU  52  -0.134  -4.418  -2.653
  391   1HD2  LEU  52          1HD2      LEU  52  -3.363  -5.502  -1.003
  392   2HD2  LEU  52          2HD2      LEU  52  -1.638  -5.307  -0.685
  393   3HD2  LEU  52          3HD2      LEU  52  -2.195  -6.566  -1.788
  394    H    LYS  53           H        LYS  53  -2.236  -2.495  -5.755
  395    HA   LYS  53           HA       LYS  53  -5.008  -2.340  -6.479
  396   1HB   LYS  53          2HB       LYS  53  -3.260  -1.659  -8.059
  397   2HB   LYS  53          1HB       LYS  53  -2.653  -3.310  -8.122
  398   1HG   LYS  53          2HG       LYS  53  -4.564  -4.090  -9.240
  399   2HG   LYS  53          1HG       LYS  53  -5.488  -2.642  -8.847
  400   1HD   LYS  53          2HD       LYS  53  -3.904  -1.346 -10.304
  401   2HD   LYS  53          1HD       LYS  53  -3.208  -2.891 -10.807
  402   1HE   LYS  53          2HE       LYS  53  -4.911  -2.049 -12.393
  403   2HE   LYS  53          1HE       LYS  53  -5.339  -3.612 -11.697
  404   1HZ   LYS  53          1HZ       LYS  53  -6.808  -2.466 -10.139
  405   2HZ   LYS  53          2HZ       LYS  53  -7.236  -2.121 -11.738
  406   3HZ   LYS  53          3HZ       LYS  53  -6.403  -0.975 -10.825
  407    H    GLY  54           H        GLY  54  -6.303  -4.042  -7.414
  408   1HA   GLY  54          2HA       GLY  54  -7.148  -6.199  -7.475
  409   2HA   GLY  54          1HA       GLY  54  -5.579  -6.798  -6.953
  410    H    SER  55           H        SER  55  -6.830  -4.302  -5.022
  411    HA   SER  55           HA       SER  55  -7.724  -6.233  -2.970
  412   1HB   SER  55          2HB       SER  55  -5.631  -5.126  -2.336
  413   2HB   SER  55          1HB       SER  55  -6.366  -3.545  -2.591
  414    HG   SER  55           HG       SER  55  -6.472  -5.157  -0.420
  415    H    LYS  56           H        LYS  56  -8.941  -4.789  -1.165
  416    HA   LYS  56           HA       LYS  56 -11.487  -4.236  -2.214
  417   1HB   LYS  56          2HB       LYS  56 -10.312  -3.336   0.430
  418   2HB   LYS  56          1HB       LYS  56 -12.027  -3.455   0.042
  419   1HG   LYS  56          2HG       LYS  56 -11.895  -5.842  -0.117
  420   2HG   LYS  56          1HG       LYS  56 -10.137  -5.806   0.027
  421   1HD   LYS  56          2HD       LYS  56 -11.153  -6.469   2.138
  422   2HD   LYS  56          1HD       LYS  56 -10.344  -4.910   2.306
  423   1HE   LYS  56          2HE       LYS  56 -12.559  -3.802   1.997
  424   2HE   LYS  56          1HE       LYS  56 -13.308  -5.400   1.994
  425   1HZ   LYS  56          1HZ       LYS  56 -12.413  -5.760   4.221
  426   2HZ   LYS  56          2HZ       LYS  56 -13.427  -4.406   4.174
  427   3HZ   LYS  56          3HZ       LYS  56 -11.751  -4.204   4.217
  428    H    ALA  57           H        ALA  57  -8.772  -2.120  -1.484
  429    HA   ALA  57           HA       ALA  57 -10.304   0.314  -1.904
  430   1HB   ALA  57          1HB       ALA  57  -8.555   0.203  -0.178
  431   2HB   ALA  57          2HB       ALA  57  -8.246   1.478  -1.357
  432   3HB   ALA  57          3HB       ALA  57  -7.343  -0.035  -1.435
  433    H    ASP  58           H        ASP  58  -9.344  -1.818  -4.106
  434    HA   ASP  58           HA       ASP  58  -8.017  -0.005  -5.965
  435   1HB   ASP  58          2HB       ASP  58  -7.292  -2.363  -5.750
  436   2HB   ASP  58          1HB       ASP  58  -8.869  -2.888  -6.329
  437    H    ALA  59           H        ALA  59 -11.129  -0.317  -5.080
  438    HA   ALA  59           HA       ALA  59 -12.077   0.689  -7.654
  439   1HB   ALA  59          1HB       ALA  59 -14.082  -0.715  -7.621
  440   2HB   ALA  59          2HB       ALA  59 -13.486  -1.543  -6.183
  441   3HB   ALA  59          3HB       ALA  59 -12.617  -1.691  -7.711
  442    H    LEU  60           H        LEU  60 -12.146   2.709  -6.664
  443    HA   LEU  60           HA       LEU  60 -13.744   3.144  -4.277
  444   1HB   LEU  60          2HB       LEU  60 -12.287   5.088  -6.078
  445   2HB   LEU  60          1HB       LEU  60 -13.115   5.535  -4.601
  446    HG   LEU  60           HG       LEU  60 -11.519   3.967  -3.378
  447   1HD1  LEU  60          1HD1      LEU  60  -9.398   3.460  -4.484
  448   2HD1  LEU  60          2HD1      LEU  60 -10.024   4.115  -5.999
  449   3HD1  LEU  60          3HD1      LEU  60 -10.752   2.673  -5.294
  450   1HD2  LEU  60          1HD2      LEU  60 -11.305   6.394  -3.283
  451   2HD2  LEU  60          2HD2      LEU  60 -10.377   6.389  -4.783
  452   3HD2  LEU  60          3HD2      LEU  60  -9.715   5.633  -3.332
  453    H    GLU  61           H        GLU  61 -14.919   2.329  -7.017
  454    HA   GLU  61           HA       GLU  61 -16.644   4.601  -7.632
  455   1HB   GLU  61          2HB       GLU  61 -16.579   1.841  -8.871
  456   2HB   GLU  61          1HB       GLU  61 -17.515   3.211  -9.457
  457   1HG   GLU  61          2HG       GLU  61 -15.350   4.421  -9.819
  458   2HG   GLU  61          1HG       GLU  61 -14.517   2.912  -9.439
  459    H    HIS  62           H        HIS  62 -18.876   4.626  -7.401
  460    HA   HIS  62           HA       HIS  62 -20.064   2.655  -5.601
  461   1HB   HIS  62          2HB       HIS  62 -20.570   5.033  -5.231
  462   2HB   HIS  62          1HB       HIS  62 -21.240   5.156  -6.853
  463    HD1  HIS  62           HD1      HIS  62 -21.960   3.639  -3.478
  464    HD2  HIS  62           HD2      HIS  62 -23.873   4.310  -7.106
  465    HE1  HIS  62           HE1      HIS  62 -24.368   3.058  -3.089
  466    HE2  HIS  62           HE2      HIS  62 -25.466   3.315  -5.331
  467    H    HIS  63           H        HIS  63 -20.314   3.779  -8.928
  468    HA   HIS  63           HA       HIS  63 -21.118   1.252  -9.920
  469   1HB   HIS  63          2HB       HIS  63 -23.309   1.758  -9.024
  470   2HB   HIS  63          1HB       HIS  63 -23.288   3.359  -9.759
  471    HD1  HIS  63           HD1      HIS  63 -23.548   3.449 -12.390
  472    HD2  HIS  63           HD2      HIS  63 -24.178  -0.291 -10.691
  473    HE1  HIS  63           HE1      HIS  63 -24.651   2.076 -14.171
  474    HE2  HIS  63           HE2      HIS  63 -24.929  -0.202 -13.161
  475    H    HIS  64           H        HIS  64 -19.582   1.487 -11.509
  476    HA   HIS  64           HA       HIS  64 -20.377   3.090 -13.777
  477   1HB   HIS  64          2HB       HIS  64 -19.005   4.681 -12.452
  478   2HB   HIS  64          1HB       HIS  64 -17.650   3.563 -12.547
  479    HD1  HIS  64           HD1      HIS  64 -19.860   5.604 -14.856
  480    HD2  HIS  64           HD2      HIS  64 -16.066   3.907 -14.766
  481    HE1  HIS  64           HE1      HIS  64 -18.726   6.387 -16.948
  482    HE2  HIS  64           HE2      HIS  64 -16.407   5.431 -16.832
  483    H    HIS  65           H        HIS  65 -17.132   1.775 -13.011
  484    HA   HIS  65           HA       HIS  65 -17.622  -0.303 -15.052
  485   1HB   HIS  65          2HB       HIS  65 -16.189   1.430 -16.012
  486   2HB   HIS  65          1HB       HIS  65 -15.073   1.284 -14.656
  487    HD1  HIS  65           HD1      HIS  65 -13.444  -0.688 -14.668
  488    HD2  HIS  65           HD2      HIS  65 -16.065  -0.691 -17.891
  489    HE1  HIS  65           HE1      HIS  65 -12.558  -2.422 -16.249
  490    HE2  HIS  65           HE2      HIS  65 -14.329  -2.605 -18.025
  491    H    HIS  66           H        HIS  66 -18.196  -1.543 -13.037
  492    HA   HIS  66           HA       HIS  66 -15.895  -2.539 -11.546
  493   1HB   HIS  66          2HB       HIS  66 -18.840  -3.220 -11.444
  494   2HB   HIS  66          1HB       HIS  66 -17.628  -4.075 -10.499
  495    HD1  HIS  66           HD1      HIS  66 -20.054  -2.126  -9.514
  496    HD2  HIS  66           HD2      HIS  66 -15.976  -1.329  -9.506
  497    HE1  HIS  66           HE1      HIS  66 -19.710  -0.407  -7.723
  498    HE2  HIS  66           HE2      HIS  66 -17.213  -0.159  -7.557
  499    H    HIS  67           H        HIS  67 -17.527  -3.272 -14.438
  500    HA   HIS  67           HA       HIS  67 -16.353  -5.973 -14.545
  501   1HB   HIS  67          2HB       HIS  67 -18.766  -5.902 -14.989
  502   2HB   HIS  67          1HB       HIS  67 -18.510  -4.738 -16.285
  503    HD1  HIS  67           HD1      HIS  67 -18.762  -5.867 -18.477
  504    HD2  HIS  67           HD2      HIS  67 -16.953  -8.344 -15.675
  505    HE1  HIS  67           HE1      HIS  67 -18.256  -7.999 -19.692
  506    HE2  HIS  67           HE2      HIS  67 -17.319  -9.538 -17.937
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -1.327  26.362   0.651
    2   2H    MET   1          2H        MET   1  -0.479  25.704   1.952
    3   3H    MET   1          3H        MET   1  -1.784  26.741   2.236
    4    HA   MET   1           HA       MET   1  -2.432  24.483   2.655
    5   1HB   MET   1          2HB       MET   1  -4.398  24.381   1.168
    6   2HB   MET   1          1HB       MET   1  -4.133  25.999   1.799
    7   1HG   MET   1          2HG       MET   1  -3.129  26.673  -0.321
    8   2HG   MET   1          1HG       MET   1  -3.369  25.045  -0.957
    9   1HE   MET   1          1HE       MET   1  -4.653  25.998  -3.070
   10   2HE   MET   1          2HE       MET   1  -4.403  27.641  -2.479
   11   3HE   MET   1          3HE       MET   1  -6.013  27.114  -2.968
   12    H    THR   2           H        THR   2  -0.708  24.879  -0.348
   13    HA   THR   2           HA       THR   2   0.250  23.412  -1.807
   14    HB   THR   2           HB       THR   2  -0.082  21.262   0.301
   15    HG1  THR   2           HG1      THR   2   1.234  22.337   1.547
   16   1HG2  THR   2          1HG2      THR   2   2.085  21.786  -1.749
   17   2HG2  THR   2          2HG2      THR   2   0.854  20.527  -1.848
   18   3HG2  THR   2          3HG2      THR   2   2.075  20.468  -0.579
   19    H    ILE   3           H        ILE   3  -2.841  23.413  -1.334
   20    HA   ILE   3           HA       ILE   3  -4.710  22.457  -2.171
   21    HB   ILE   3           HB       ILE   3  -2.877  21.013  -4.103
   22   1HG1  ILE   3          2HG1      ILE   3  -4.131  23.762  -4.352
   23   2HG1  ILE   3          1HG1      ILE   3  -2.422  23.444  -4.082
   24   1HG2  ILE   3          1HG2      ILE   3  -5.786  21.807  -4.347
   25   2HG2  ILE   3          2HG2      ILE   3  -5.165  20.169  -4.158
   26   3HG2  ILE   3          3HG2      ILE   3  -4.814  21.077  -5.626
   27   1HD1  ILE   3          1HD1      ILE   3  -2.306  22.319  -6.260
   28   2HD1  ILE   3          2HD1      ILE   3  -2.826  23.999  -6.389
   29   3HD1  ILE   3          3HD1      ILE   3  -4.008  22.699  -6.532
   30    H    GLN   4           H        GLN   4  -2.720  20.888  -0.279
   31    HA   GLN   4           HA       GLN   4  -2.650  18.954   0.894
   32   1HB   GLN   4          2HB       GLN   4  -5.410  18.465  -0.246
   33   2HB   GLN   4          1HB       GLN   4  -4.702  17.623   1.126
   34   1HG   GLN   4          2HG       GLN   4  -4.642  19.713   2.387
   35   2HG   GLN   4          1HG       GLN   4  -5.326  20.569   1.006
   36   1HE2  GLN   4          1HE2      GLN   4  -6.400  20.344   3.681
   37   2HE2  GLN   4          2HE2      GLN   4  -7.949  19.596   3.526
   38    H    ALA   5           H        ALA   5  -4.534  17.864  -1.903
   39    HA   ALA   5           HA       ALA   5  -4.197  16.342  -3.532
   40   1HB   ALA   5          1HB       ALA   5  -1.949  15.909  -4.353
   41   2HB   ALA   5          2HB       ALA   5  -1.261  16.635  -2.901
   42   3HB   ALA   5          3HB       ALA   5  -2.175  17.629  -4.034
   43    HA   PRO   6           HA       PRO   6  -3.907  12.749  -0.626
   44   1HB   PRO   6          2HB       PRO   6  -6.296  11.665  -1.344
   45   2HB   PRO   6          1HB       PRO   6  -6.151  12.903  -0.091
   46   1HG   PRO   6          2HG       PRO   6  -6.958  13.200  -2.963
   47   2HG   PRO   6          1HG       PRO   6  -7.662  13.955  -1.520
   48   1HD   PRO   6          2HD       PRO   6  -5.931  15.251  -3.181
   49   2HD   PRO   6          1HD       PRO   6  -6.046  15.601  -1.444
   50    H    GLU   7           H        GLU   7  -2.178  12.506  -2.378
   51    HA   GLU   7           HA       GLU   7  -2.813  11.380  -4.894
   52   1HB   GLU   7          2HB       GLU   7  -0.758  12.653  -4.492
   53   2HB   GLU   7          1HB       GLU   7  -0.176  11.392  -3.412
   54   1HG   GLU   7          2HG       GLU   7  -0.011   9.827  -5.219
   55   2HG   GLU   7          1HG       GLU   7  -0.799  10.949  -6.327
   56    H    THR   8           H        THR   8  -3.516   9.423  -5.305
   57    HA   THR   8           HA       THR   8  -2.840   7.162  -3.554
   58    HB   THR   8           HB       THR   8  -4.912   7.484  -5.737
   59    HG1  THR   8           HG1      THR   8  -5.781   8.255  -3.912
   60   1HG2  THR   8          1HG2      THR   8  -4.054   5.214  -5.914
   61   2HG2  THR   8          2HG2      THR   8  -5.657   5.188  -5.179
   62   3HG2  THR   8          3HG2      THR   8  -4.222   4.988  -4.172
   63    H    LYS   9           H        LYS   9  -1.345   5.695  -4.131
   64    HA   LYS   9           HA       LYS   9  -0.480   5.599  -6.956
   65   1HB   LYS   9          2HB       LYS   9   1.102   6.676  -5.222
   66   2HB   LYS   9          1HB       LYS   9   1.340   5.046  -4.612
   67   1HG   LYS   9          2HG       LYS   9   3.136   5.579  -6.102
   68   2HG   LYS   9          1HG       LYS   9   2.115   4.365  -6.876
   69   1HD   LYS   9          2HD       LYS   9   1.038   6.087  -8.222
   70   2HD   LYS   9          1HD       LYS   9   1.966   7.342  -7.401
   71   1HE   LYS   9          2HE       LYS   9   2.957   6.888  -9.557
   72   2HE   LYS   9          1HE       LYS   9   4.048   6.332  -8.289
   73   1HZ   LYS   9          1HZ       LYS   9   2.208   4.623  -9.879
   74   2HZ   LYS   9          2HZ       LYS   9   3.231   4.077  -8.649
   75   3HZ   LYS   9          3HZ       LYS   9   3.885   4.722 -10.066
   76    H    ILE  10           H        ILE  10  -1.133   3.712  -7.800
   77    HA   ILE  10           HA       ILE  10  -1.743   1.436  -6.143
   78    HB   ILE  10           HB       ILE  10  -1.680   1.598  -9.166
   79   1HG1  ILE  10          2HG1      ILE  10  -4.025   1.995  -7.277
   80   2HG1  ILE  10          1HG1      ILE  10  -3.193   3.287  -8.136
   81   1HG2  ILE  10          1HG2      ILE  10  -1.647  -0.696  -8.324
   82   2HG2  ILE  10          2HG2      ILE  10  -3.202  -0.331  -9.071
   83   3HG2  ILE  10          3HG2      ILE  10  -3.053  -0.361  -7.314
   84   1HD1  ILE  10          1HD1      ILE  10  -5.279   2.680  -9.230
   85   2HD1  ILE  10          2HD1      ILE  10  -4.710   1.022  -9.418
   86   3HD1  ILE  10          3HD1      ILE  10  -3.896   2.336 -10.266
   87    H    VAL  11           H        VAL  11  -0.041   0.366  -5.291
   88    HA   VAL  11           HA       VAL  11   2.324  -0.178  -6.935
   89    HB   VAL  11           HB       VAL  11   3.375  -0.986  -4.866
   90   1HG1  VAL  11          1HG1      VAL  11   3.543   1.380  -5.440
   91   2HG1  VAL  11          2HG1      VAL  11   3.476   1.167  -3.691
   92   3HG1  VAL  11          3HG1      VAL  11   2.045   1.712  -4.567
   93   1HG2  VAL  11          1HG2      VAL  11   0.752  -0.264  -3.547
   94   2HG2  VAL  11          2HG2      VAL  11   2.226  -0.749  -2.710
   95   3HG2  VAL  11          3HG2      VAL  11   1.391  -1.892  -3.758
   96    H    ASP  12           H        ASP  12   3.239  -2.344  -7.000
   97    HA   ASP  12           HA       ASP  12   1.178  -4.248  -7.672
   98   1HB   ASP  12          2HB       ASP  12   3.073  -3.874  -9.177
   99   2HB   ASP  12          1HB       ASP  12   4.191  -4.399  -7.923
  100    H    LYS  13           H        LYS  13   3.709  -3.945  -5.238
  101    HA   LYS  13           HA       LYS  13   2.766  -6.453  -4.019
  102   1HB   LYS  13          2HB       LYS  13   5.558  -5.322  -4.135
  103   2HB   LYS  13          1HB       LYS  13   5.100  -6.606  -3.023
  104   1HG   LYS  13          2HG       LYS  13   4.862  -6.762  -6.029
  105   2HG   LYS  13          1HG       LYS  13   6.182  -7.441  -5.074
  106   1HD   LYS  13          2HD       LYS  13   4.576  -8.878  -3.882
  107   2HD   LYS  13          1HD       LYS  13   3.262  -8.207  -4.849
  108   1HE   LYS  13          2HE       LYS  13   5.635  -9.681  -5.994
  109   2HE   LYS  13          1HE       LYS  13   4.084 -10.433  -5.629
  110   1HZ   LYS  13          1HZ       LYS  13   4.308  -9.806  -7.975
  111   2HZ   LYS  13          2HZ       LYS  13   4.466  -8.183  -7.532
  112   3HZ   LYS  13          3HZ       LYS  13   3.022  -9.004  -7.227
  113    H    SER  14           H        SER  14   3.299  -6.601  -1.630
  114    HA   SER  14           HA       SER  14   1.815  -4.558  -0.336
  115   1HB   SER  14          2HB       SER  14   3.422  -6.784   0.942
  116   2HB   SER  14          1HB       SER  14   2.113  -5.871   1.691
  117    HG   SER  14           HG       SER  14   0.945  -7.466   0.947
  118    H    ARG  15           H        ARG  15   5.288  -5.217  -0.471
  119    HA   ARG  15           HA       ARG  15   5.770  -3.056   1.456
  120   1HB   ARG  15          2HB       ARG  15   8.098  -3.832   1.515
  121   2HB   ARG  15          1HB       ARG  15   6.969  -5.122   1.902
  122   1HG   ARG  15          2HG       ARG  15   7.222  -6.049  -0.326
  123   2HG   ARG  15          1HG       ARG  15   8.298  -4.725  -0.777
  124   1HD   ARG  15          2HD       ARG  15   9.908  -5.430   0.907
  125   2HD   ARG  15          1HD       ARG  15   8.827  -6.722   1.427
  126    HE   ARG  15           HE       ARG  15   9.116  -7.576  -0.948
  127   1HH1  ARG  15          1HH1      ARG  15  11.575  -5.806   0.714
  128   2HH1  ARG  15          2HH1      ARG  15  12.856  -6.550  -0.180
  129   1HH2  ARG  15          1HH2      ARG  15  10.782  -8.533  -2.059
  130   2HH2  ARG  15          2HH2      ARG  15  12.415  -8.062  -1.724
  131    H    VAL  16           H        VAL  16   6.694  -1.172   0.947
  132    HA   VAL  16           HA       VAL  16   7.585  -0.715  -1.836
  133    HB   VAL  16           HB       VAL  16   5.919   1.211  -0.189
  134   1HG1  VAL  16          1HG1      VAL  16   5.782   2.510  -2.286
  135   2HG1  VAL  16          2HG1      VAL  16   6.907   1.378  -3.040
  136   3HG1  VAL  16          3HG1      VAL  16   7.435   2.374  -1.683
  137   1HG2  VAL  16          1HG2      VAL  16   4.104   0.759  -1.756
  138   2HG2  VAL  16          2HG2      VAL  16   4.595  -0.721  -0.931
  139   3HG2  VAL  16          3HG2      VAL  16   5.104  -0.427  -2.593
  140    H    ALA  17           H        ALA  17   9.622   0.036  -1.904
  141    HA   ALA  17           HA       ALA  17  10.983   1.039   0.421
  142   1HB   ALA  17          1HB       ALA  17  12.905   1.318  -1.061
  143   2HB   ALA  17          2HB       ALA  17  11.881   1.023  -2.467
  144   3HB   ALA  17          3HB       ALA  17  12.164  -0.265  -1.297
  145    H    CYS  18           H        CYS  18  10.053   2.933   1.135
  146    HA   CYS  18           HA       CYS  18   9.529   5.084  -0.774
  147   1HB   CYS  18          2HB       CYS  18   8.901   4.889   2.179
  148   2HB   CYS  18          1HB       CYS  18   8.401   6.201   1.117
  149    HG   CYS  18           HG       CYS  18   7.473   2.978   0.487
  150    H    ASP  19           H        ASP  19  12.106   4.946  -0.879
  151    HA   ASP  19           HA       ASP  19  13.691   6.177   1.046
  152   1HB   ASP  19          2HB       ASP  19  13.967   6.377  -1.967
  153   2HB   ASP  19          1HB       ASP  19  15.231   6.743  -0.799
  154    H    GLY  20           H        GLY  20  12.365   7.816  -1.852
  155   1HA   GLY  20          2HA       GLY  20  11.109   9.948  -0.711
  156   2HA   GLY  20          1HA       GLY  20  12.798  10.428  -0.697
  157    H    GLY  21           H        GLY  21  12.137  12.187  -2.100
  158   1HA   GLY  21          2HA       GLY  21  11.223  11.594  -4.782
  159   2HA   GLY  21          1HA       GLY  21  11.699  13.169  -4.161
  160    H    GLU  22           H        GLU  22  13.613  13.982  -4.818
  161    HA   GLU  22           HA       GLU  22  15.305  12.639  -6.641
  162   1HB   GLU  22          2HB       GLU  22  15.986  15.020  -4.897
  163   2HB   GLU  22          1HB       GLU  22  16.808  14.543  -6.373
  164   1HG   GLU  22          2HG       GLU  22  13.925  15.406  -6.230
  165   2HG   GLU  22          1HG       GLU  22  15.268  16.470  -6.642
  166    H    GLY  23           H        GLY  23  17.547  11.975  -6.339
  167   1HA   GLY  23          2HA       GLY  23  18.072  10.109  -4.441
  168   2HA   GLY  23          1HA       GLY  23  19.338  11.040  -5.216
  169    H    ALA  24           H        ALA  24  19.268  13.471  -4.143
  170    HA   ALA  24           HA       ALA  24  20.333  13.139  -1.540
  171   1HB   ALA  24          1HB       ALA  24  19.489  15.685  -2.927
  172   2HB   ALA  24          2HB       ALA  24  21.062  14.902  -3.075
  173   3HB   ALA  24          3HB       ALA  24  20.552  15.569  -1.524
  174    H    LEU  25           H        LEU  25  17.091  13.733  -2.615
  175    HA   LEU  25           HA       LEU  25  16.199  14.805  -0.056
  176   1HB   LEU  25          2HB       LEU  25  14.575  14.021  -2.485
  177   2HB   LEU  25          1HB       LEU  25  13.987  14.917  -1.098
  178    HG   LEU  25           HG       LEU  25  16.011  15.879  -3.130
  179   1HD1  LEU  25          1HD1      LEU  25  13.708  15.885  -3.939
  180   2HD1  LEU  25          2HD1      LEU  25  14.298  17.528  -3.695
  181   3HD1  LEU  25          3HD1      LEU  25  13.201  16.804  -2.520
  182   1HD2  LEU  25          1HD2      LEU  25  14.947  17.278  -0.672
  183   2HD2  LEU  25          2HD2      LEU  25  15.970  18.004  -1.912
  184   3HD2  LEU  25          3HD2      LEU  25  16.598  16.699  -0.908
  185    H    GLY  26           H        GLY  26  16.995  11.797  -1.039
  186   1HA   GLY  26          2HA       GLY  26  14.708  10.319  -0.068
  187   2HA   GLY  26          1HA       GLY  26  16.226   9.646  -0.626
  188    H    HIS  27           H        HIS  27  14.875   8.661   1.572
  189    HA   HIS  27           HA       HIS  27  16.385   9.552   3.933
  190   1HB   HIS  27          2HB       HIS  27  14.051   7.618   3.708
  191   2HB   HIS  27          1HB       HIS  27  14.773   8.188   5.211
  192    HD1  HIS  27           HD1      HIS  27  12.285   9.077   2.644
  193    HD2  HIS  27           HD2      HIS  27  14.282  10.994   5.741
  194    HE1  HIS  27           HE1      HIS  27  11.012  11.197   3.051
  195    HE2  HIS  27           HE2      HIS  27  12.287  12.385   4.863
  196    HA   PRO  28           HA       PRO  28  19.351   6.281   4.354
  197   1HB   PRO  28          2HB       PRO  28  17.558   5.026   6.412
  198   2HB   PRO  28          1HB       PRO  28  19.314   5.242   6.440
  199   1HG   PRO  28          2HG       PRO  28  17.717   6.913   7.770
  200   2HG   PRO  28          1HG       PRO  28  19.162   7.506   6.930
  201   1HD   PRO  28          2HD       PRO  28  16.300   7.851   6.228
  202   2HD   PRO  28          1HD       PRO  28  17.697   8.858   5.799
  203    H    ARG  29           H        ARG  29  16.328   4.497   5.039
  204    HA   ARG  29           HA       ARG  29  15.872   3.340   2.600
  205   1HB   ARG  29          2HB       ARG  29  18.145   2.297   2.951
  206   2HB   ARG  29          1HB       ARG  29  17.461   1.416   4.311
  207   1HG   ARG  29          2HG       ARG  29  17.500   0.036   2.324
  208   2HG   ARG  29          1HG       ARG  29  15.843   0.351   2.814
  209   1HD   ARG  29          2HD       ARG  29  15.499   1.872   1.050
  210   2HD   ARG  29          1HD       ARG  29  17.226   2.037   0.741
  211    HE   ARG  29           HE       ARG  29  16.546  -0.619   0.284
  212   1HH1  ARG  29          1HH1      ARG  29  15.769   2.468  -1.048
  213   2HH1  ARG  29          2HH1      ARG  29  15.577   1.838  -2.647
  214   1HH2  ARG  29          1HH2      ARG  29  16.309  -1.400  -1.776
  215   2HH2  ARG  29          2HH2      ARG  29  15.909  -0.314  -3.063
  216    H    VAL  30           H        VAL  30  13.849   3.637   3.311
  217    HA   VAL  30           HA       VAL  30  12.886   1.980   5.552
  218    HB   VAL  30           HB       VAL  30  10.990   3.576   5.766
  219   1HG1  VAL  30          1HG1      VAL  30  12.950   3.796   7.202
  220   2HG1  VAL  30          2HG1      VAL  30  12.285   5.382   6.815
  221   3HG1  VAL  30          3HG1      VAL  30  13.740   4.813   5.995
  222   1HG2  VAL  30          1HG2      VAL  30  11.112   5.763   4.664
  223   2HG2  VAL  30          2HG2      VAL  30  10.979   4.461   3.480
  224   3HG2  VAL  30          3HG2      VAL  30  12.537   5.235   3.765
  225    H    TRP  31           H        TRP  31  11.664   0.301   5.058
  226    HA   TRP  31           HA       TRP  31  10.147   0.270   2.526
  227   1HB   TRP  31          2HB       TRP  31  11.115  -1.986   4.300
  228   2HB   TRP  31          1HB       TRP  31  10.049  -2.219   2.920
  229    HD1  TRP  31           HD1      TRP  31  13.648  -0.992   3.684
  230    HE1  TRP  31           HE1      TRP  31  15.100  -1.462   1.612
  231    HE3  TRP  31           HE3      TRP  31  10.011  -2.693   0.510
  232    HZ2  TRP  31           HZ2      TRP  31  14.749  -2.416  -1.019
  233    HZ3  TRP  31           HZ3      TRP  31  10.654  -3.364  -1.767
  234    HH2  TRP  31           HH2      TRP  31  12.977  -3.227  -2.517
  235    H    LEU  32           H        LEU  32   8.065   0.816   2.770
  236    HA   LEU  32           HA       LEU  32   6.691   0.425   5.307
  237   1HB   LEU  32          2HB       LEU  32   5.907   1.761   2.718
  238   2HB   LEU  32          1HB       LEU  32   4.755   1.501   4.016
  239    HG   LEU  32           HG       LEU  32   6.162   2.875   5.524
  240   1HD1  LEU  32          1HD1      LEU  32   7.971   4.238   4.597
  241   2HD1  LEU  32          2HD1      LEU  32   7.819   3.392   3.056
  242   3HD1  LEU  32          3HD1      LEU  32   8.336   2.516   4.497
  243   1HD2  LEU  32          1HD2      LEU  32   5.630   5.032   4.506
  244   2HD2  LEU  32          2HD2      LEU  32   4.306   3.884   4.302
  245   3HD2  LEU  32          3HD2      LEU  32   5.380   4.240   2.949
  246    H    GLN  33           H        GLN  33   4.874  -0.855   5.628
  247    HA   GLN  33           HA       GLN  33   4.486  -3.012   3.634
  248   1HB   GLN  33          2HB       GLN  33   5.625  -3.672   5.776
  249   2HB   GLN  33          1HB       GLN  33   4.166  -3.213   6.642
  250   1HG   GLN  33          2HG       GLN  33   4.176  -5.590   6.364
  251   2HG   GLN  33          1HG       GLN  33   2.912  -4.912   5.339
  252   1HE2  GLN  33          1HE2      GLN  33   2.924  -6.747   4.025
  253   2HE2  GLN  33          2HE2      GLN  33   4.197  -7.063   2.903
  254    H    ILE  34           H        ILE  34   2.554  -2.921   2.685
  255    HA   ILE  34           HA       ILE  34   0.382  -1.365   3.726
  256    HB   ILE  34           HB       ILE  34   0.495  -3.212   1.332
  257   1HG1  ILE  34          2HG1      ILE  34   0.708  -0.194   1.556
  258   2HG1  ILE  34          1HG1      ILE  34   2.021  -1.300   1.162
  259   1HG2  ILE  34          1HG2      ILE  34  -1.556  -2.065   0.574
  260   2HG2  ILE  34          2HG2      ILE  34  -1.629  -1.204   2.111
  261   3HG2  ILE  34          3HG2      ILE  34  -1.811  -2.959   2.073
  262   1HD1  ILE  34          1HD1      ILE  34   1.202  -0.191  -0.818
  263   2HD1  ILE  34          2HD1      ILE  34  -0.430  -0.787  -0.509
  264   3HD1  ILE  34          3HD1      ILE  34   0.867  -1.918  -0.901
  265    HA   PRO  35           HA       PRO  35  -1.691  -4.870   5.716
  266   1HB   PRO  35          2HB       PRO  35  -3.471  -3.471   7.117
  267   2HB   PRO  35          1HB       PRO  35  -1.755  -3.399   7.539
  268   1HG   PRO  35          2HG       PRO  35  -3.408  -1.439   5.982
  269   2HG   PRO  35          1HG       PRO  35  -2.213  -1.117   7.247
  270   1HD   PRO  35          2HD       PRO  35  -1.703  -0.967   4.524
  271   2HD   PRO  35          1HD       PRO  35  -0.459  -1.217   5.765
  272    H    GLU  36           H        GLU  36  -3.315  -6.111   4.820
  273    HA   GLU  36           HA       GLU  36  -4.868  -5.155   2.648
  274   1HB   GLU  36          2HB       GLU  36  -5.201  -7.671   4.293
  275   2HB   GLU  36          1HB       GLU  36  -6.065  -7.338   2.799
  276   1HG   GLU  36          2HG       GLU  36  -3.849  -7.186   1.644
  277   2HG   GLU  36          1HG       GLU  36  -3.094  -7.729   3.142
  278    H    ASP  37           H        ASP  37  -5.468  -5.261   6.075
  279    HA   ASP  37           HA       ASP  37  -8.231  -5.089   6.228
  280   1HB   ASP  37          2HB       ASP  37  -6.203  -3.632   7.950
  281   2HB   ASP  37          1HB       ASP  37  -7.883  -3.939   8.380
  282    H    THR  38           H        THR  38  -5.978  -2.311   6.158
  283    HA   THR  38           HA       THR  38  -8.050  -0.426   5.485
  284    HB   THR  38           HB       THR  38  -6.254   1.203   5.222
  285    HG1  THR  38           HG1      THR  38  -4.129   0.605   5.098
  286   1HG2  THR  38          1HG2      THR  38  -6.896   0.640   7.526
  287   2HG2  THR  38          2HG2      THR  38  -5.184   1.057   7.425
  288   3HG2  THR  38          3HG2      THR  38  -5.676  -0.633   7.554
  289    H    GLY  39           H        GLY  39  -5.362  -1.966   3.757
  290   1HA   GLY  39          2HA       GLY  39  -5.492  -2.731   1.507
  291   2HA   GLY  39          1HA       GLY  39  -6.786  -1.578   1.211
  292    H    TRP  40           H        TRP  40  -4.443  -0.035   2.953
  293    HA   TRP  40           HA       TRP  40  -2.690   0.747   0.800
  294   1HB   TRP  40          2HB       TRP  40  -3.423   3.156   0.865
  295   2HB   TRP  40          1HB       TRP  40  -4.599   2.066   0.136
  296    HD1  TRP  40           HD1      TRP  40  -6.902   1.680   1.446
  297    HE1  TRP  40           HE1      TRP  40  -8.060   2.979   3.342
  298    HE3  TRP  40           HE3      TRP  40  -2.960   4.543   2.999
  299    HZ2  TRP  40           HZ2      TRP  40  -7.392   4.954   5.246
  300    HZ3  TRP  40           HZ3      TRP  40  -3.303   6.112   4.865
  301    HH2  TRP  40           HH2      TRP  40  -5.474   6.312   5.964
  302    H    VAL  41           H        VAL  41  -1.164   2.514   1.532
  303    HA   VAL  41           HA       VAL  41  -1.037   2.795   4.466
  304    HB   VAL  41           HB       VAL  41   0.539   1.006   3.835
  305   1HG1  VAL  41          1HG1      VAL  41   2.531   1.501   2.495
  306   2HG1  VAL  41          2HG1      VAL  41   1.906   3.116   2.161
  307   3HG1  VAL  41          3HG1      VAL  41   1.049   1.697   1.557
  308   1HG2  VAL  41          1HG2      VAL  41   1.050   2.412   5.764
  309   2HG2  VAL  41          2HG2      VAL  41   1.911   3.549   4.727
  310   3HG2  VAL  41          3HG2      VAL  41   2.529   1.911   4.945
  311    H    GLU  42           H        GLU  42  -0.632   4.809   5.151
  312    HA   GLU  42           HA       GLU  42  -0.033   6.874   3.180
  313   1HB   GLU  42          2HB       GLU  42  -0.567   8.463   5.026
  314   2HB   GLU  42          1HB       GLU  42  -1.885   7.369   4.636
  315   1HG   GLU  42          2HG       GLU  42  -1.314   5.992   6.584
  316   2HG   GLU  42          1HG       GLU  42   0.003   7.097   6.975
  317    H    CYS  43           H        CYS  43   2.022   7.309   2.783
  318    HA   CYS  43           HA       CYS  43   4.168   6.532   4.484
  319   1HB   CYS  43          2HB       CYS  43   4.495   6.549   2.095
  320   2HB   CYS  43          1HB       CYS  43   4.125   8.269   2.010
  321    HG   CYS  43           HG       CYS  43   6.986   7.237   1.852
  322    HA   PRO  44           HA       PRO  44   4.027  10.362   6.936
  323   1HB   PRO  44          2HB       PRO  44   6.060   9.016   8.577
  324   2HB   PRO  44          1HB       PRO  44   4.444   9.565   9.028
  325   1HG   PRO  44          2HG       PRO  44   5.058   6.944   8.823
  326   2HG   PRO  44          1HG       PRO  44   3.448   7.574   8.420
  327   1HD   PRO  44          2HD       PRO  44   5.711   6.847   6.580
  328   2HD   PRO  44          1HD       PRO  44   3.976   6.487   6.426
  329    H    TYR  45           H        TYR  45   6.527   8.880   5.184
  330    HA   TYR  45           HA       TYR  45   8.639  10.705   5.952
  331   1HB   TYR  45          2HB       TYR  45   8.585   8.595   3.778
  332   2HB   TYR  45          1HB       TYR  45  10.015   9.441   4.360
  333    HD1  TYR  45           HD2      TYR  45  10.903   8.965   6.625
  334    HD2  TYR  45           HD1      TYR  45   7.633   6.759   5.014
  335    HE1  TYR  45           HE2      TYR  45  11.233   7.228   8.335
  336    HE2  TYR  45           HE1      TYR  45   7.953   5.024   6.725
  337    HH   TYR  45           HH       TYR  45   9.874   5.456   9.458
  338    H    CYS  46           H        CYS  46   6.599  10.160   3.079
  339    HA   CYS  46           HA       CYS  46   7.426  12.822   2.100
  340   1HB   CYS  46          2HB       CYS  46   7.109  10.335   0.408
  341   2HB   CYS  46          1HB       CYS  46   7.422  11.953  -0.214
  342    HG   CYS  46           HG       CYS  46   9.889  12.066   1.370
  343    H    ASP  47           H        ASP  47   4.889  11.247   3.267
  344    HA   ASP  47           HA       ASP  47   2.650  11.527   3.239
  345   1HB   ASP  47          2HB       ASP  47   3.469  14.118   1.917
  346   2HB   ASP  47          1HB       ASP  47   1.824  13.770   2.439
  347    H    CYS  48           H        CYS  48   2.460   9.691   1.790
  348    HA   CYS  48           HA       CYS  48   0.859  10.374  -0.542
  349   1HB   CYS  48          2HB       CYS  48   3.350   8.662  -0.778
  350   2HB   CYS  48          1HB       CYS  48   2.085   8.724  -2.000
  351    HG   CYS  48           HG       CYS  48   2.576  11.204  -2.893
  352    H    LYS  49           H        LYS  49  -0.623   8.733  -1.130
  353    HA   LYS  49           HA       LYS  49  -0.890   6.573   0.855
  354   1HB   LYS  49          2HB       LYS  49  -2.846   8.022   0.570
  355   2HB   LYS  49          1HB       LYS  49  -2.889   7.657  -1.151
  356   1HG   LYS  49          2HG       LYS  49  -3.295   5.271  -0.590
  357   2HG   LYS  49          1HG       LYS  49  -3.377   5.720   1.115
  358   1HD   LYS  49          2HD       LYS  49  -5.199   6.734  -1.075
  359   2HD   LYS  49          1HD       LYS  49  -5.612   5.508   0.123
  360   1HE   LYS  49          2HE       LYS  49  -5.254   7.197   1.906
  361   2HE   LYS  49          1HE       LYS  49  -4.959   8.409   0.660
  362   1HZ   LYS  49          1HZ       LYS  49  -7.225   8.527   1.418
  363   2HZ   LYS  49          2HZ       LYS  49  -7.473   6.894   1.073
  364   3HZ   LYS  49          3HZ       LYS  49  -7.210   7.989  -0.187
  365    H    TYR  50           H        TYR  50   0.186   4.772   0.221
  366    HA   TYR  50           HA       TYR  50   0.201   3.988  -2.600
  367   1HB   TYR  50          2HB       TYR  50   1.588   2.749  -0.203
  368   2HB   TYR  50          1HB       TYR  50   1.781   2.218  -1.870
  369    HD1  TYR  50           HD1      TYR  50   2.933   3.689  -3.514
  370    HD2  TYR  50           HD2      TYR  50   2.741   4.677   0.627
  371    HE1  TYR  50           HE1      TYR  50   4.756   5.311  -3.821
  372    HE2  TYR  50           HE2      TYR  50   4.559   6.300   0.325
  373    HH   TYR  50           HH       TYR  50   5.647   7.306  -2.745
  374    H    VAL  51           H        VAL  51  -1.503   2.865  -3.310
  375    HA   VAL  51           HA       VAL  51  -2.975   1.111  -1.470
  376    HB   VAL  51           HB       VAL  51  -3.713   2.104  -4.234
  377   1HG1  VAL  51          1HG1      VAL  51  -4.688  -0.095  -3.884
  378   2HG1  VAL  51          2HG1      VAL  51  -5.946   1.136  -3.777
  379   3HG1  VAL  51          3HG1      VAL  51  -5.306   0.400  -2.307
  380   1HG2  VAL  51          1HG2      VAL  51  -4.795   2.832  -1.507
  381   2HG2  VAL  51          2HG2      VAL  51  -5.402   3.435  -3.049
  382   3HG2  VAL  51          3HG2      VAL  51  -3.770   3.846  -2.520
  383    H    LEU  52           H        LEU  52  -3.104  -1.062  -1.701
  384    HA   LEU  52           HA       LEU  52  -1.122  -2.377  -3.303
  385   1HB   LEU  52          2HB       LEU  52  -1.664  -3.145  -1.053
  386   2HB   LEU  52          1HB       LEU  52  -3.315  -3.484  -1.540
  387    HG   LEU  52           HG       LEU  52  -2.491  -5.250  -3.065
  388   1HD1  LEU  52          1HD1      LEU  52   0.208  -4.604  -1.876
  389   2HD1  LEU  52          2HD1      LEU  52  -0.290  -4.350  -3.549
  390   3HD1  LEU  52          3HD1      LEU  52  -0.154  -5.987  -2.908
  391   1HD2  LEU  52          1HD2      LEU  52  -1.557  -5.532  -0.200
  392   2HD2  LEU  52          2HD2      LEU  52  -1.854  -6.859  -1.325
  393   3HD2  LEU  52          3HD2      LEU  52  -3.190  -5.835  -0.800
  394    H    LYS  53           H        LYS  53  -1.324  -3.282  -5.255
  395    HA   LYS  53           HA       LYS  53  -3.586  -3.148  -6.884
  396   1HB   LYS  53          2HB       LYS  53  -1.410  -3.388  -7.852
  397   2HB   LYS  53          1HB       LYS  53  -1.125  -4.896  -6.999
  398   1HG   LYS  53          2HG       LYS  53  -2.793  -6.020  -8.359
  399   2HG   LYS  53          1HG       LYS  53  -3.181  -4.501  -9.174
  400   1HD   LYS  53          2HD       LYS  53  -0.996  -4.400 -10.165
  401   2HD   LYS  53          1HD       LYS  53  -0.434  -5.758  -9.192
  402   1HE   LYS  53          2HE       LYS  53  -2.627  -5.929 -11.263
  403   2HE   LYS  53          1HE       LYS  53  -0.940  -6.355 -11.553
  404   1HZ   LYS  53          1HZ       LYS  53  -1.103  -8.059  -9.863
  405   2HZ   LYS  53          2HZ       LYS  53  -2.291  -8.298 -11.042
  406   3HZ   LYS  53          3HZ       LYS  53  -2.709  -7.641  -9.544
  407    H    GLY  54           H        GLY  54  -5.493  -4.045  -6.278
  408   1HA   GLY  54          2HA       GLY  54  -6.766  -6.159  -6.441
  409   2HA   GLY  54          1HA       GLY  54  -5.498  -6.906  -5.483
  410    H    SER  55           H        SER  55  -5.699  -4.041  -4.084
  411    HA   SER  55           HA       SER  55  -7.150  -4.878  -1.803
  412   1HB   SER  55          2HB       SER  55  -5.474  -3.241  -1.462
  413   2HB   SER  55          1HB       SER  55  -6.118  -2.197  -2.729
  414    HG   SER  55           HG       SER  55  -6.646  -1.439  -0.638
  415    H    LYS  56           H        LYS  56  -9.177  -4.172  -0.967
  416    HA   LYS  56           HA       LYS  56 -11.196  -3.579  -2.902
  417   1HB   LYS  56          2HB       LYS  56 -12.648  -3.197  -0.783
  418   2HB   LYS  56          1HB       LYS  56 -12.080  -4.811  -1.163
  419   1HG   LYS  56          2HG       LYS  56 -11.919  -4.378   1.206
  420   2HG   LYS  56          1HG       LYS  56 -10.318  -4.599   0.512
  421   1HD   LYS  56          2HD       LYS  56  -9.806  -2.302   0.686
  422   2HD   LYS  56          1HD       LYS  56 -11.498  -1.864   0.944
  423   1HE   LYS  56          2HE       LYS  56 -10.077  -1.786   3.006
  424   2HE   LYS  56          1HE       LYS  56 -11.500  -2.815   3.131
  425   1HZ   LYS  56          1HZ       LYS  56  -9.566  -3.876   4.089
  426   2HZ   LYS  56          2HZ       LYS  56  -8.726  -3.759   2.624
  427   3HZ   LYS  56          3HZ       LYS  56 -10.094  -4.744   2.738
  428    H    ALA  57           H        ALA  57  -8.966  -1.598  -1.358
  429    HA   ALA  57           HA       ALA  57 -10.431   0.858  -1.429
  430   1HB   ALA  57          1HB       ALA  57  -8.372   0.632  -0.125
  431   2HB   ALA  57          2HB       ALA  57  -8.234   1.941  -1.299
  432   3HB   ALA  57          3HB       ALA  57  -7.448   0.391  -1.609
  433    H    ASP  58           H        ASP  58  -8.745  -1.079  -3.781
  434    HA   ASP  58           HA       ASP  58  -8.867   0.922  -5.883
  435   1HB   ASP  58          2HB       ASP  58  -7.019  -0.818  -5.609
  436   2HB   ASP  58          1HB       ASP  58  -8.191  -2.026  -6.116
  437    H    ALA  59           H        ALA  59  -9.779  -0.252  -8.093
  438    HA   ALA  59           HA       ALA  59 -11.643  -0.752  -9.285
  439   1HB   ALA  59          1HB       ALA  59 -13.021  -2.624  -8.545
  440   2HB   ALA  59          2HB       ALA  59 -12.317  -2.524  -6.931
  441   3HB   ALA  59          3HB       ALA  59 -11.310  -2.978  -8.305
  442    H    LEU  60           H        LEU  60 -12.375   1.431  -9.070
  443    HA   LEU  60           HA       LEU  60 -14.072   2.193  -6.863
  444   1HB   LEU  60          2HB       LEU  60 -13.350   3.665  -9.404
  445   2HB   LEU  60          1HB       LEU  60 -14.270   4.353  -8.079
  446    HG   LEU  60           HG       LEU  60 -12.241   3.893  -6.601
  447   1HD1  LEU  60          1HD1      LEU  60 -11.105   2.293  -8.046
  448   2HD1  LEU  60          2HD1      LEU  60 -10.079   3.685  -7.702
  449   3HD1  LEU  60          3HD1      LEU  60 -10.877   3.542  -9.268
  450   1HD2  LEU  60          1HD2      LEU  60 -12.833   6.132  -7.356
  451   2HD2  LEU  60          2HD2      LEU  60 -11.961   5.871  -8.867
  452   3HD2  LEU  60          3HD2      LEU  60 -11.081   5.923  -7.339
  453    H    GLU  61           H        GLU  61 -14.739   0.303  -9.423
  454    HA   GLU  61           HA       GLU  61 -17.252   1.394 -10.290
  455   1HB   GLU  61          2HB       GLU  61 -15.607  -0.331 -11.443
  456   2HB   GLU  61          1HB       GLU  61 -16.556  -1.518 -10.564
  457   1HG   GLU  61          2HG       GLU  61 -17.527   0.425 -12.652
  458   2HG   GLU  61          1HG       GLU  61 -17.424  -1.329 -12.783
  459    H    HIS  62           H        HIS  62 -18.762   1.651  -8.665
  460    HA   HIS  62           HA       HIS  62 -18.997  -0.422  -6.608
  461   1HB   HIS  62          2HB       HIS  62 -20.074   2.396  -6.729
  462   2HB   HIS  62          1HB       HIS  62 -20.403   1.278  -5.411
  463    HD1  HIS  62           HD1      HIS  62 -18.225   0.477  -4.024
  464    HD2  HIS  62           HD2      HIS  62 -17.709   3.756  -6.522
  465    HE1  HIS  62           HE1      HIS  62 -16.113   1.584  -3.249
  466    HE2  HIS  62           HE2      HIS  62 -15.959   3.680  -4.622
  467    H    HIS  63           H        HIS  63 -20.428  -0.152  -9.516
  468    HA   HIS  63           HA       HIS  63 -23.173  -0.590  -8.801
  469   1HB   HIS  63          2HB       HIS  63 -22.568   0.141 -11.059
  470   2HB   HIS  63          1HB       HIS  63 -21.664  -1.345 -11.323
  471    HD1  HIS  63           HD1      HIS  63 -25.215  -0.101 -10.934
  472    HD2  HIS  63           HD2      HIS  63 -23.171  -3.487 -12.212
  473    HE1  HIS  63           HE1      HIS  63 -26.946  -1.575 -11.989
  474    HE2  HIS  63           HE2      HIS  63 -25.663  -3.538 -12.890
  475    H    HIS  64           H        HIS  64 -20.351  -2.498  -8.651
  476    HA   HIS  64           HA       HIS  64 -21.527  -5.090  -8.676
  477   1HB   HIS  64          2HB       HIS  64 -19.013  -4.144  -7.269
  478   2HB   HIS  64          1HB       HIS  64 -19.451  -5.821  -7.568
  479    HD1  HIS  64           HD1      HIS  64 -17.553  -3.103  -8.973
  480    HD2  HIS  64           HD2      HIS  64 -19.596  -6.386 -10.483
  481    HE1  HIS  64           HE1      HIS  64 -16.630  -3.467 -11.271
  482    HE2  HIS  64           HE2      HIS  64 -17.737  -5.574 -12.079
  483    H    HIS  65           H        HIS  65 -23.355  -5.188  -7.372
  484    HA   HIS  65           HA       HIS  65 -23.173  -4.497  -4.541
  485   1HB   HIS  65          2HB       HIS  65 -25.424  -5.621  -6.227
  486   2HB   HIS  65          1HB       HIS  65 -25.555  -5.363  -4.492
  487    HD1  HIS  65           HD1      HIS  65 -26.249  -3.080  -3.749
  488    HD2  HIS  65           HD2      HIS  65 -25.018  -3.131  -7.715
  489    HE1  HIS  65           HE1      HIS  65 -26.771  -0.800  -4.643
  490    HE2  HIS  65           HE2      HIS  65 -25.810  -0.789  -6.965
  491    H    HIS  66           H        HIS  66 -24.173  -7.435  -6.319
  492    HA   HIS  66           HA       HIS  66 -22.809  -9.072  -4.266
  493   1HB   HIS  66          2HB       HIS  66 -24.605 -10.764  -4.512
  494   2HB   HIS  66          1HB       HIS  66 -25.215  -9.231  -3.897
  495    HD1  HIS  66           HD1      HIS  66 -25.316 -11.455  -6.909
  496    HD2  HIS  66           HD2      HIS  66 -27.049  -7.932  -5.560
  497    HE1  HIS  66           HE1      HIS  66 -27.181 -10.973  -8.507
  498    HE2  HIS  66           HE2      HIS  66 -28.380  -9.003  -7.499
  499    H    HIS  67           H        HIS  67 -22.102  -8.061  -6.984
  500    HA   HIS  67           HA       HIS  67 -20.705 -10.293  -7.967
  501   1HB   HIS  67          2HB       HIS  67 -22.880 -11.063  -8.785
  502   2HB   HIS  67          1HB       HIS  67 -23.151  -9.520  -9.591
  503    HD1  HIS  67           HD1      HIS  67 -21.073 -12.654  -9.852
  504    HD2  HIS  67           HD2      HIS  67 -21.942  -9.257 -12.082
  505    HE1  HIS  67           HE1      HIS  67 -20.113 -13.079 -12.126
  506    HE2  HIS  67           HE2      HIS  67 -20.788 -11.088 -13.496
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -15.666  17.228   1.697
    2   2H    MET   1          2H        MET   1 -14.767  17.325   3.124
    3   3H    MET   1          3H        MET   1 -14.871  15.861   2.291
    4    HA   MET   1           HA       MET   1 -13.688  16.797   0.415
    5   1HB   MET   1          2HB       MET   1 -12.619  19.011   0.661
    6   2HB   MET   1          1HB       MET   1 -14.374  19.112   0.682
    7   1HG   MET   1          2HG       MET   1 -12.602  19.177   3.122
    8   2HG   MET   1          1HG       MET   1 -13.327  20.585   2.345
    9   1HE   MET   1          1HE       MET   1 -14.290  21.220   4.799
   10   2HE   MET   1          2HE       MET   1 -13.633  19.732   5.482
   11   3HE   MET   1          3HE       MET   1 -15.328  20.145   5.737
   12    H    THR   2           H        THR   2 -11.221  17.232   0.467
   13    HA   THR   2           HA       THR   2 -10.103  15.744   2.768
   14    HB   THR   2           HB       THR   2  -8.938  15.972  -0.028
   15    HG1  THR   2           HG1      THR   2 -10.304  14.457  -0.540
   16   1HG2  THR   2          1HG2      THR   2  -7.247  15.494   1.652
   17   2HG2  THR   2          2HG2      THR   2  -7.545  14.056   0.677
   18   3HG2  THR   2          3HG2      THR   2  -8.226  14.176   2.298
   19    H    ILE   3           H        ILE   3  -7.921  16.322   3.461
   20    HA   ILE   3           HA       ILE   3  -7.457  19.114   3.720
   21    HB   ILE   3           HB       ILE   3  -6.840  17.342   5.381
   22   1HG1  ILE   3          2HG1      ILE   3  -4.538  19.139   4.554
   23   2HG1  ILE   3          1HG1      ILE   3  -5.916  19.642   5.528
   24   1HG2  ILE   3          1HG2      ILE   3  -4.719  16.136   5.108
   25   2HG2  ILE   3          2HG2      ILE   3  -4.555  16.801   3.483
   26   3HG2  ILE   3          3HG2      ILE   3  -5.886  15.706   3.856
   27   1HD1  ILE   3          1HD1      ILE   3  -5.258  18.008   7.250
   28   2HD1  ILE   3          2HD1      ILE   3  -4.018  19.225   6.943
   29   3HD1  ILE   3          3HD1      ILE   3  -3.839  17.597   6.283
   30    H    GLN   4           H        GLN   4  -7.232  17.686   0.951
   31    HA   GLN   4           HA       GLN   4  -6.169  17.918  -1.000
   32   1HB   GLN   4          2HB       GLN   4  -6.350  20.355  -0.275
   33   2HB   GLN   4          1HB       GLN   4  -4.659  20.243   0.192
   34   1HG   GLN   4          2HG       GLN   4  -5.544  19.521  -2.582
   35   2HG   GLN   4          1HG       GLN   4  -5.270  21.196  -2.123
   36   1HE2  GLN   4          1HE2      GLN   4  -3.877  19.425  -4.039
   37   2HE2  GLN   4          2HE2      GLN   4  -2.213  19.471  -3.571
   38    H    ALA   5           H        ALA   5  -5.073  16.030  -1.011
   39    HA   ALA   5           HA       ALA   5  -2.261  16.155  -1.275
   40   1HB   ALA   5          1HB       ALA   5  -1.562  14.696   0.551
   41   2HB   ALA   5          2HB       ALA   5  -3.218  14.630   1.159
   42   3HB   ALA   5          3HB       ALA   5  -2.327  16.152   1.187
   43    HA   PRO   6           HA       PRO   6  -4.703  12.640  -3.201
   44   1HB   PRO   6          2HB       PRO   6  -4.292  13.798  -5.818
   45   2HB   PRO   6          1HB       PRO   6  -5.806  13.588  -4.937
   46   1HG   PRO   6          2HG       PRO   6  -4.677  16.032  -5.472
   47   2HG   PRO   6          1HG       PRO   6  -5.770  15.723  -4.111
   48   1HD   PRO   6          2HD       PRO   6  -2.773  15.884  -4.138
   49   2HD   PRO   6          1HD       PRO   6  -3.928  16.532  -2.951
   50    H    GLU   7           H        GLU   7  -1.782  12.927  -2.637
   51    HA   GLU   7           HA       GLU   7  -0.358  11.972  -4.942
   52   1HB   GLU   7          2HB       GLU   7   0.479  11.989  -2.030
   53   2HB   GLU   7          1HB       GLU   7   1.544  11.743  -3.410
   54   1HG   GLU   7          2HG       GLU   7   1.126  14.003  -4.176
   55   2HG   GLU   7          1HG       GLU   7  -0.040  14.252  -2.880
   56    H    THR   8           H        THR   8  -1.831  10.199  -5.393
   57    HA   THR   8           HA       THR   8  -1.679   7.883  -3.591
   58    HB   THR   8           HB       THR   8  -3.395   8.296  -6.057
   59    HG1  THR   8           HG1      THR   8  -4.949   8.219  -4.015
   60   1HG2  THR   8          1HG2      THR   8  -3.505   6.143  -3.929
   61   2HG2  THR   8          2HG2      THR   8  -2.989   5.915  -5.601
   62   3HG2  THR   8          3HG2      THR   8  -4.661   6.347  -5.243
   63    H    LYS   9           H        LYS   9  -0.806   5.915  -4.167
   64    HA   LYS   9           HA       LYS   9   0.437   5.658  -6.826
   65   1HB   LYS   9          2HB       LYS   9   2.114   6.374  -5.106
   66   2HB   LYS   9          1HB       LYS   9   1.784   4.892  -4.226
   67   1HG   LYS   9          2HG       LYS   9   3.806   4.643  -5.523
   68   2HG   LYS   9          1HG       LYS   9   2.553   3.582  -6.168
   69   1HD   LYS   9          2HD       LYS   9   2.097   5.181  -7.963
   70   2HD   LYS   9          1HD       LYS   9   3.305   6.286  -7.302
   71   1HE   LYS   9          2HE       LYS   9   5.058   4.645  -7.714
   72   2HE   LYS   9          1HE       LYS   9   3.864   3.500  -8.324
   73   1HZ   LYS   9          1HZ       LYS   9   4.524   6.130  -9.532
   74   2HZ   LYS   9          2HZ       LYS   9   3.369   5.045 -10.116
   75   3HZ   LYS   9          3HZ       LYS   9   5.002   4.620 -10.119
   76    H    ILE  10           H        ILE  10  -0.406   3.903  -7.773
   77    HA   ILE  10           HA       ILE  10  -1.636   1.808  -6.156
   78    HB   ILE  10           HB       ILE  10  -1.582   2.124  -9.172
   79   1HG1  ILE  10          2HG1      ILE  10  -3.717   2.924  -7.163
   80   2HG1  ILE  10          1HG1      ILE  10  -2.680   4.031  -8.059
   81   1HG2  ILE  10          1HG2      ILE  10  -2.026  -0.170  -8.416
   82   2HG2  ILE  10          2HG2      ILE  10  -3.441   0.555  -9.179
   83   3HG2  ILE  10          3HG2      ILE  10  -3.358   0.420  -7.421
   84   1HD1  ILE  10          1HD1      ILE  10  -4.721   2.172  -9.269
   85   2HD1  ILE  10          2HD1      ILE  10  -3.697   3.312 -10.149
   86   3HD1  ILE  10          3HD1      ILE  10  -4.911   3.907  -9.016
   87    H    VAL  11           H        VAL  11  -0.239   0.291  -5.409
   88    HA   VAL  11           HA       VAL  11   1.995  -0.581  -7.127
   89    HB   VAL  11           HB       VAL  11   1.717  -1.372  -4.244
   90   1HG1  VAL  11          1HG1      VAL  11   3.466  -2.428  -5.586
   91   2HG1  VAL  11          2HG1      VAL  11   4.157  -1.418  -4.317
   92   3HG1  VAL  11          3HG1      VAL  11   4.126  -0.844  -5.985
   93   1HG2  VAL  11          1HG2      VAL  11   1.385   1.049  -4.261
   94   2HG2  VAL  11          2HG2      VAL  11   2.862   1.253  -5.207
   95   3HG2  VAL  11          3HG2      VAL  11   2.947   0.631  -3.557
   96    H    ASP  12           H        ASP  12   2.406  -2.785  -7.479
   97    HA   ASP  12           HA       ASP  12   0.017  -4.456  -7.455
   98   1HB   ASP  12          2HB       ASP  12   2.739  -4.939  -8.702
   99   2HB   ASP  12          1HB       ASP  12   1.293  -5.915  -8.964
  100    H    LYS  13           H        LYS  13   2.530  -3.920  -5.387
  101    HA   LYS  13           HA       LYS  13   2.291  -6.585  -4.150
  102   1HB   LYS  13          2HB       LYS  13   4.831  -4.958  -4.440
  103   2HB   LYS  13          1HB       LYS  13   4.685  -6.403  -3.448
  104   1HG   LYS  13          2HG       LYS  13   4.271  -7.759  -5.409
  105   2HG   LYS  13          1HG       LYS  13   4.270  -6.323  -6.437
  106   1HD   LYS  13          2HD       LYS  13   6.616  -5.900  -5.833
  107   2HD   LYS  13          1HD       LYS  13   6.615  -7.346  -4.824
  108   1HE   LYS  13          2HE       LYS  13   6.055  -7.363  -7.792
  109   2HE   LYS  13          1HE       LYS  13   7.648  -7.644  -7.090
  110   1HZ   LYS  13          1HZ       LYS  13   5.228  -9.283  -6.562
  111   2HZ   LYS  13          2HZ       LYS  13   6.773  -9.560  -5.930
  112   3HZ   LYS  13          3HZ       LYS  13   6.498  -9.710  -7.591
  113    H    SER  14           H        SER  14   2.473  -6.620  -1.846
  114    HA   SER  14           HA       SER  14   1.556  -4.206  -0.551
  115   1HB   SER  14          2HB       SER  14   2.237  -6.886   0.696
  116   2HB   SER  14          1HB       SER  14   1.325  -5.581   1.456
  117    HG   SER  14           HG       SER  14  -0.269  -6.792   0.674
  118    H    ARG  15           H        ARG  15   4.594  -5.349  -1.308
  119    HA   ARG  15           HA       ARG  15   5.914  -4.278   1.080
  120   1HB   ARG  15          2HB       ARG  15   7.054  -5.715  -1.332
  121   2HB   ARG  15          1HB       ARG  15   7.969  -5.238   0.096
  122   1HG   ARG  15          2HG       ARG  15   6.736  -6.742   1.482
  123   2HG   ARG  15          1HG       ARG  15   5.599  -7.093   0.180
  124   1HD   ARG  15          2HD       ARG  15   7.477  -8.088  -1.120
  125   2HD   ARG  15          1HD       ARG  15   8.529  -7.828   0.274
  126    HE   ARG  15           HE       ARG  15   6.481  -9.251   1.312
  127   1HH1  ARG  15          1HH1      ARG  15   8.555  -9.771  -1.390
  128   2HH1  ARG  15          2HH1      ARG  15   8.421 -11.491  -1.292
  129   1HH2  ARG  15          1HH2      ARG  15   6.331 -11.456   1.418
  130   2HH2  ARG  15          2HH2      ARG  15   7.194 -12.430   0.282
  131    H    VAL  16           H        VAL  16   6.481  -2.198   1.130
  132    HA   VAL  16           HA       VAL  16   6.923  -0.778  -1.431
  133    HB   VAL  16           HB       VAL  16   5.346   0.178   0.968
  134   1HG1  VAL  16          1HG1      VAL  16   4.982   2.257  -0.285
  135   2HG1  VAL  16          2HG1      VAL  16   6.087   1.696  -1.540
  136   3HG1  VAL  16          3HG1      VAL  16   6.689   2.017   0.087
  137   1HG2  VAL  16          1HG2      VAL  16   3.496   0.342  -0.674
  138   2HG2  VAL  16          2HG2      VAL  16   4.075  -1.309  -0.464
  139   3HG2  VAL  16          3HG2      VAL  16   4.543  -0.387  -1.893
  140    H    ALA  17           H        ALA  17   8.668   0.499  -1.575
  141    HA   ALA  17           HA       ALA  17  10.200   1.135   0.857
  142   1HB   ALA  17          1HB       ALA  17  11.423  -0.038  -0.914
  143   2HB   ALA  17          2HB       ALA  17  12.086   1.572  -0.627
  144   3HB   ALA  17          3HB       ALA  17  11.062   1.275  -2.034
  145    H    CYS  18           H        CYS  18   9.677   3.061   1.711
  146    HA   CYS  18           HA       CYS  18   9.076   5.345  -0.071
  147   1HB   CYS  18          2HB       CYS  18   8.417   4.992   2.864
  148   2HB   CYS  18          1HB       CYS  18   7.968   6.373   1.866
  149    HG   CYS  18           HG       CYS  18   6.749   4.023   0.179
  150    H    ASP  19           H        ASP  19   9.672   7.543   1.128
  151    HA   ASP  19           HA       ASP  19  12.354   7.258   2.328
  152   1HB   ASP  19          2HB       ASP  19  11.469   9.007   0.064
  153   2HB   ASP  19          1HB       ASP  19  12.776   9.547   1.115
  154    H    GLY  20           H        GLY  20  10.761   7.382   4.243
  155   1HA   GLY  20          2HA       GLY  20  11.287   9.891   5.506
  156   2HA   GLY  20          1HA       GLY  20   9.589   9.754   5.083
  157    H    GLY  21           H        GLY  21  11.694   9.273   7.614
  158   1HA   GLY  21          2HA       GLY  21  10.033   8.426   9.490
  159   2HA   GLY  21          1HA       GLY  21  10.276   6.910   8.658
  160    H    GLU  22           H        GLU  22  13.030   6.924   8.236
  161    HA   GLU  22           HA       GLU  22  13.803   6.321  10.998
  162   1HB   GLU  22          2HB       GLU  22  15.030   5.396   8.394
  163   2HB   GLU  22          1HB       GLU  22  15.525   4.865   9.998
  164   1HG   GLU  22          2HG       GLU  22  13.259   3.947  10.355
  165   2HG   GLU  22          1HG       GLU  22  12.838   4.409   8.708
  166    H    GLY  23           H        GLY  23  16.242   6.377  11.422
  167   1HA   GLY  23          2HA       GLY  23  17.801   7.861  12.250
  168   2HA   GLY  23          1HA       GLY  23  18.123   8.094  10.544
  169    H    ALA  24           H        ALA  24  17.571  10.044   9.582
  170    HA   ALA  24           HA       ALA  24  16.828  12.227  11.380
  171   1HB   ALA  24          1HB       ALA  24  17.426  13.683   9.497
  172   2HB   ALA  24          2HB       ALA  24  17.660  12.263   8.476
  173   3HB   ALA  24          3HB       ALA  24  18.711  12.533   9.866
  174    H    LEU  25           H        LEU  25  14.967  10.110  10.242
  175    HA   LEU  25           HA       LEU  25  12.933   9.782   9.401
  176   1HB   LEU  25          2HB       LEU  25  11.162  11.255  10.201
  177   2HB   LEU  25          1HB       LEU  25  12.302  10.818  11.452
  178    HG   LEU  25           HG       LEU  25  13.356  13.117  11.117
  179   1HD1  LEU  25          1HD1      LEU  25  12.427  13.661   8.943
  180   2HD1  LEU  25          2HD1      LEU  25  11.924  14.852  10.140
  181   3HD1  LEU  25          3HD1      LEU  25  10.792  13.609   9.603
  182   1HD2  LEU  25          1HD2      LEU  25  11.667  14.229  12.502
  183   2HD2  LEU  25          2HD2      LEU  25  11.964  12.576  13.038
  184   3HD2  LEU  25          3HD2      LEU  25  10.509  12.956  12.115
  185    H    GLY  26           H        GLY  26  14.817  11.708   7.743
  186   1HA   GLY  26          2HA       GLY  26  12.698  12.498   5.828
  187   2HA   GLY  26          1HA       GLY  26  14.069  13.528   6.186
  188    H    HIS  27           H        HIS  27  12.884  10.927   4.314
  189    HA   HIS  27           HA       HIS  27  13.659   9.790   2.525
  190   1HB   HIS  27          2HB       HIS  27  15.672  12.018   2.213
  191   2HB   HIS  27          1HB       HIS  27  14.936  11.033   0.943
  192    HD1  HIS  27           HD1      HIS  27  11.996  11.237   1.624
  193    HD2  HIS  27           HD2      HIS  27  14.564  14.487   1.839
  194    HE1  HIS  27           HE1      HIS  27  10.517  13.241   1.641
  195    HE2  HIS  27           HE2      HIS  27  12.081  15.212   1.790
  196    HA   PRO  28           HA       PRO  28  17.564   8.021   4.324
  197   1HB   PRO  28          2HB       PRO  28  16.833   6.716   6.512
  198   2HB   PRO  28          1HB       PRO  28  16.965   8.478   6.540
  199   1HG   PRO  28          2HG       PRO  28  14.536   6.769   6.510
  200   2HG   PRO  28          1HG       PRO  28  14.765   8.382   7.199
  201   1HD   PRO  28          2HD       PRO  28  13.652   7.684   4.632
  202   2HD   PRO  28          1HD       PRO  28  13.861   9.303   5.333
  203    H    ARG  29           H        ARG  29  14.986   6.873   2.748
  204    HA   ARG  29           HA       ARG  29  14.345   5.038   1.724
  205   1HB   ARG  29          2HB       ARG  29  17.037   4.958   1.618
  206   2HB   ARG  29          1HB       ARG  29  16.710   3.461   2.430
  207   1HG   ARG  29          2HG       ARG  29  15.570   4.331  -0.203
  208   2HG   ARG  29          1HG       ARG  29  16.889   3.206   0.034
  209   1HD   ARG  29          2HD       ARG  29  15.214   1.875   1.460
  210   2HD   ARG  29          1HD       ARG  29  13.995   2.845   0.631
  211    HE   ARG  29           HE       ARG  29  14.380   1.655  -1.268
  212   1HH1  ARG  29          1HH1      ARG  29  17.013   1.101   0.894
  213   2HH1  ARG  29          2HH1      ARG  29  17.737  -0.096  -0.120
  214   1HH2  ARG  29          1HH2      ARG  29  15.348   0.126  -2.567
  215   2HH2  ARG  29          2HH2      ARG  29  16.818  -0.624  -2.048
  216    H    VAL  30           H        VAL  30  12.747   4.675   3.071
  217    HA   VAL  30           HA       VAL  30  13.104   2.705   5.249
  218    HB   VAL  30           HB       VAL  30  11.079   3.543   6.288
  219   1HG1  VAL  30          1HG1      VAL  30  13.193   4.683   6.807
  220   2HG1  VAL  30          2HG1      VAL  30  11.812   5.774   6.924
  221   3HG1  VAL  30          3HG1      VAL  30  12.876   5.847   5.519
  222   1HG2  VAL  30          1HG2      VAL  30   9.848   5.466   5.402
  223   2HG2  VAL  30          2HG2      VAL  30   9.814   4.114   4.272
  224   3HG2  VAL  30          3HG2      VAL  30  10.887   5.480   3.976
  225    H    TRP  31           H        TRP  31  11.443   1.074   5.543
  226    HA   TRP  31           HA       TRP  31  10.076   0.379   3.017
  227   1HB   TRP  31          2HB       TRP  31  11.678  -1.421   4.846
  228   2HB   TRP  31          1HB       TRP  31  10.602  -2.029   3.588
  229    HD1  TRP  31           HD1      TRP  31  13.695   0.330   3.840
  230    HE1  TRP  31           HE1      TRP  31  15.067   0.072   1.676
  231    HE3  TRP  31           HE3      TRP  31  10.645  -2.946   1.365
  232    HZ2  TRP  31           HZ2      TRP  31  14.869  -1.377  -0.762
  233    HZ3  TRP  31           HZ3      TRP  31  11.306  -3.721  -0.872
  234    HH2  TRP  31           HH2      TRP  31  13.380  -2.954  -1.913
  235    H    LEU  32           H        LEU  32   7.966   0.373   3.272
  236    HA   LEU  32           HA       LEU  32   6.790  -0.347   5.876
  237   1HB   LEU  32          2HB       LEU  32   5.649   1.236   3.565
  238   2HB   LEU  32          1HB       LEU  32   4.718   0.756   4.968
  239    HG   LEU  32           HG       LEU  32   6.329   2.094   6.386
  240   1HD1  LEU  32          1HD1      LEU  32   8.209   2.191   4.846
  241   2HD1  LEU  32          2HD1      LEU  32   7.669   3.814   5.272
  242   3HD1  LEU  32          3HD1      LEU  32   7.247   3.129   3.702
  243   1HD2  LEU  32          1HD2      LEU  32   4.118   2.945   5.771
  244   2HD2  LEU  32          2HD2      LEU  32   4.781   3.611   4.278
  245   3HD2  LEU  32          3HD2      LEU  32   5.308   4.244   5.838
  246    H    GLN  33           H        GLN  33   4.600  -1.412   5.728
  247    HA   GLN  33           HA       GLN  33   4.419  -3.332   3.482
  248   1HB   GLN  33          2HB       GLN  33   5.435  -4.387   5.511
  249   2HB   GLN  33          1HB       GLN  33   3.979  -3.991   6.410
  250   1HG   GLN  33          2HG       GLN  33   3.870  -6.288   5.792
  251   2HG   GLN  33          1HG       GLN  33   2.687  -5.413   4.824
  252   1HE2  GLN  33          1HE2      GLN  33   2.683  -7.108   3.300
  253   2HE2  GLN  33          2HE2      GLN  33   3.990  -7.328   2.192
  254    H    ILE  34           H        ILE  34   2.547  -2.931   2.462
  255    HA   ILE  34           HA       ILE  34   0.418  -1.425   3.530
  256    HB   ILE  34           HB       ILE  34   0.383  -3.300   1.150
  257   1HG1  ILE  34          2HG1      ILE  34   0.751  -0.288   1.262
  258   2HG1  ILE  34          1HG1      ILE  34   2.039  -1.453   0.982
  259   1HG2  ILE  34          1HG2      ILE  34  -1.586  -1.962   0.423
  260   2HG2  ILE  34          2HG2      ILE  34  -1.576  -1.154   1.990
  261   3HG2  ILE  34          3HG2      ILE  34  -1.878  -2.890   1.893
  262   1HD1  ILE  34          1HD1      ILE  34  -0.336  -0.969  -0.803
  263   2HD1  ILE  34          2HD1      ILE  34   0.931  -2.162  -1.085
  264   3HD1  ILE  34          3HD1      ILE  34   1.322  -0.442  -1.096
  265    HA   PRO  35           HA       PRO  35  -1.575  -4.815   5.749
  266   1HB   PRO  35          2HB       PRO  35  -3.360  -3.343   7.116
  267   2HB   PRO  35          1HB       PRO  35  -1.638  -3.308   7.522
  268   1HG   PRO  35          2HG       PRO  35  -3.246  -1.346   5.929
  269   2HG   PRO  35          1HG       PRO  35  -2.024  -1.031   7.169
  270   1HD   PRO  35          2HD       PRO  35  -1.532  -0.933   4.460
  271   2HD   PRO  35          1HD       PRO  35  -0.285  -1.265   5.677
  272    H    GLU  36           H        GLU  36  -2.833  -6.086   4.481
  273    HA   GLU  36           HA       GLU  36  -4.665  -5.188   2.554
  274   1HB   GLU  36          2HB       GLU  36  -3.562  -7.442   2.618
  275   2HB   GLU  36          1HB       GLU  36  -4.662  -7.891   3.917
  276   1HG   GLU  36          2HG       GLU  36  -6.571  -7.550   2.412
  277   2HG   GLU  36          1HG       GLU  36  -5.460  -7.116   1.112
  278    H    ASP  37           H        ASP  37  -5.010  -5.446   5.943
  279    HA   ASP  37           HA       ASP  37  -7.828  -5.700   6.132
  280   1HB   ASP  37          2HB       ASP  37  -5.908  -4.347   8.043
  281   2HB   ASP  37          1HB       ASP  37  -7.533  -4.920   8.423
  282    H    THR  38           H        THR  38  -5.710  -2.956   5.551
  283    HA   THR  38           HA       THR  38  -8.019  -1.115   5.481
  284    HB   THR  38           HB       THR  38  -6.447   0.722   5.433
  285    HG1  THR  38           HG1      THR  38  -4.191   0.329   5.363
  286   1HG2  THR  38          1HG2      THR  38  -6.882  -0.182   7.654
  287   2HG2  THR  38          2HG2      THR  38  -5.214   0.386   7.547
  288   3HG2  THR  38          3HG2      THR  38  -5.566  -1.341   7.463
  289    H    GLY  39           H        GLY  39  -5.113  -1.899   3.570
  290   1HA   GLY  39          2HA       GLY  39  -5.385  -2.591   1.237
  291   2HA   GLY  39          1HA       GLY  39  -6.676  -1.410   1.102
  292    H    TRP  40           H        TRP  40  -4.313   0.010   2.944
  293    HA   TRP  40           HA       TRP  40  -2.477   0.843   0.914
  294   1HB   TRP  40          2HB       TRP  40  -3.233   3.236   0.822
  295   2HB   TRP  40          1HB       TRP  40  -4.343   2.105   0.056
  296    HD1  TRP  40           HD1      TRP  40  -6.768   1.863   1.098
  297    HE1  TRP  40           HE1      TRP  40  -8.060   3.196   2.878
  298    HE3  TRP  40           HE3      TRP  40  -2.897   4.580   3.059
  299    HZ2  TRP  40           HZ2      TRP  40  -7.518   5.140   4.848
  300    HZ3  TRP  40           HZ3      TRP  40  -3.375   6.152   4.887
  301    HH2  TRP  40           HH2      TRP  40  -5.638   6.430   5.764
  302    H    VAL  41           H        VAL  41  -0.961   2.524   1.654
  303    HA   VAL  41           HA       VAL  41  -1.137   3.411   4.415
  304    HB   VAL  41           HB       VAL  41  -0.039   1.217   4.678
  305   1HG1  VAL  41          1HG1      VAL  41   2.193   0.804   3.754
  306   2HG1  VAL  41          2HG1      VAL  41   2.113   2.331   2.874
  307   3HG1  VAL  41          3HG1      VAL  41   0.995   1.027   2.479
  308   1HG2  VAL  41          1HG2      VAL  41   1.836   3.546   5.141
  309   2HG2  VAL  41          2HG2      VAL  41   1.924   1.974   5.939
  310   3HG2  VAL  41          3HG2      VAL  41   0.537   3.030   6.215
  311    H    GLU  42           H        GLU  42  -0.194   5.401   4.653
  312    HA   GLU  42           HA       GLU  42   1.306   6.427   2.327
  313   1HB   GLU  42          2HB       GLU  42   0.433   8.594   2.722
  314   2HB   GLU  42          1HB       GLU  42  -0.930   7.496   2.845
  315   1HG   GLU  42          2HG       GLU  42   0.552   8.443   5.286
  316   2HG   GLU  42          1HG       GLU  42  -0.733   9.396   4.555
  317    H    CYS  43           H        CYS  43   3.172   7.650   2.613
  318    HA   CYS  43           HA       CYS  43   4.497   7.486   5.198
  319   1HB   CYS  43          2HB       CYS  43   5.818   7.191   3.128
  320   2HB   CYS  43          1HB       CYS  43   5.399   8.824   2.628
  321    HG   CYS  43           HG       CYS  43   7.471   7.882   5.180
  322    HA   PRO  44           HA       PRO  44   2.273  11.251   6.265
  323   1HB   PRO  44          2HB       PRO  44   3.249  11.492   8.816
  324   2HB   PRO  44          1HB       PRO  44   1.962  10.370   8.364
  325   1HG   PRO  44          2HG       PRO  44   4.894   9.842   8.715
  326   2HG   PRO  44          1HG       PRO  44   3.509   8.888   9.282
  327   1HD   PRO  44          2HD       PRO  44   4.891   8.198   7.080
  328   2HD   PRO  44          1HD       PRO  44   3.135   7.954   7.191
  329    H    TYR  45           H        TYR  45   5.640  10.922   5.907
  330    HA   TYR  45           HA       TYR  45   6.293  13.627   6.758
  331   1HB   TYR  45          2HB       TYR  45   8.055  11.521   5.479
  332   2HB   TYR  45          1HB       TYR  45   8.605  13.032   6.199
  333    HD1  TYR  45           HD1      TYR  45   7.113   9.727   6.928
  334    HD2  TYR  45           HD2      TYR  45   8.879  13.236   8.577
  335    HE1  TYR  45           HE1      TYR  45   7.311   8.600   9.102
  336    HE2  TYR  45           HE2      TYR  45   9.075  12.113  10.754
  337    HH   TYR  45           HH       TYR  45   8.205  10.295  11.983
  338    H    CYS  46           H        CYS  46   7.681  12.200   3.848
  339    HA   CYS  46           HA       CYS  46   6.191  13.959   2.081
  340   1HB   CYS  46          2HB       CYS  46   9.178  14.293   2.448
  341   2HB   CYS  46          1HB       CYS  46   8.250  15.006   1.132
  342    HG   CYS  46           HG       CYS  46   8.937  16.920   3.126
  343    H    ASP  47           H        ASP  47   5.557  11.875   1.268
  344    HA   ASP  47           HA       ASP  47   7.321  11.025  -0.880
  345   1HB   ASP  47          2HB       ASP  47   7.812   9.567   1.141
  346   2HB   ASP  47          1HB       ASP  47   6.172   8.949   1.007
  347    H    CYS  48           H        CYS  48   4.592   9.083   0.258
  348    HA   CYS  48           HA       CYS  48   2.468  10.443  -0.941
  349   1HB   CYS  48          2HB       CYS  48   2.057   9.133  -2.971
  350   2HB   CYS  48          1HB       CYS  48   3.605   9.961  -3.073
  351    HG   CYS  48           HG       CYS  48   4.887   7.460  -2.118
  352    H    LYS  49           H        LYS  49   0.658   8.656  -1.600
  353    HA   LYS  49           HA       LYS  49   0.494   6.806   0.688
  354   1HB   LYS  49          2HB       LYS  49  -1.259   8.487   0.662
  355   2HB   LYS  49          1HB       LYS  49  -1.668   8.091  -1.001
  356   1HG   LYS  49          2HG       LYS  49  -2.455   5.900  -0.326
  357   2HG   LYS  49          1HG       LYS  49  -1.968   6.215   1.342
  358   1HD   LYS  49          2HD       LYS  49  -4.030   7.807  -0.198
  359   2HD   LYS  49          1HD       LYS  49  -4.401   6.534   0.966
  360   1HE   LYS  49          2HE       LYS  49  -3.317   7.819   2.740
  361   2HE   LYS  49          1HE       LYS  49  -2.887   9.077   1.581
  362   1HZ   LYS  49          1HZ       LYS  49  -5.679   8.278   2.190
  363   2HZ   LYS  49          2HZ       LYS  49  -5.172   9.606   1.274
  364   3HZ   LYS  49          3HZ       LYS  49  -4.885   9.570   2.935
  365    H    TYR  50           H        TYR  50   0.639   4.670   0.266
  366    HA   TYR  50           HA       TYR  50   0.627   3.841  -2.546
  367   1HB   TYR  50          2HB       TYR  50   1.854   2.613  -0.076
  368   2HB   TYR  50          1HB       TYR  50   1.847   1.819  -1.647
  369    HD1  TYR  50           HD1      TYR  50   3.102   4.790   0.194
  370    HD2  TYR  50           HD2      TYR  50   3.381   2.446  -3.344
  371    HE1  TYR  50           HE1      TYR  50   5.137   6.012  -0.458
  372    HE2  TYR  50           HE2      TYR  50   5.409   3.647  -3.998
  373    HH   TYR  50           HH       TYR  50   6.932   6.000  -1.878
  374    H    VAL  51           H        VAL  51  -1.271   3.130  -3.205
  375    HA   VAL  51           HA       VAL  51  -3.002   1.550  -1.444
  376    HB   VAL  51           HB       VAL  51  -3.493   2.605  -4.245
  377   1HG1  VAL  51          1HG1      VAL  51  -4.816   0.611  -3.848
  378   2HG1  VAL  51          2HG1      VAL  51  -5.861   2.031  -3.813
  379   3HG1  VAL  51          3HG1      VAL  51  -5.377   1.255  -2.305
  380   1HG2  VAL  51          1HG2      VAL  51  -4.944   4.248  -3.165
  381   2HG2  VAL  51          2HG2      VAL  51  -3.298   4.376  -2.546
  382   3HG2  VAL  51          3HG2      VAL  51  -4.542   3.584  -1.580
  383    H    LEU  52           H        LEU  52  -3.370  -0.603  -1.673
  384    HA   LEU  52           HA       LEU  52  -1.582  -2.112  -3.355
  385   1HB   LEU  52          2HB       LEU  52  -2.065  -2.830  -1.072
  386   2HB   LEU  52          1HB       LEU  52  -3.762  -3.023  -1.470
  387    HG   LEU  52           HG       LEU  52  -3.197  -4.853  -3.015
  388   1HD1  LEU  52          1HD1      LEU  52  -0.356  -4.436  -2.080
  389   2HD1  LEU  52          2HD1      LEU  52  -0.976  -4.135  -3.704
  390   3HD1  LEU  52          3HD1      LEU  52  -0.926  -5.779  -3.072
  391   1HD2  LEU  52          1HD2      LEU  52  -2.024  -5.221  -0.254
  392   2HD2  LEU  52          2HD2      LEU  52  -2.533  -6.514  -1.340
  393   3HD2  LEU  52          3HD2      LEU  52  -3.725  -5.391  -0.689
  394    H    LYS  53           H        LYS  53  -1.978  -2.716  -5.339
  395    HA   LYS  53           HA       LYS  53  -4.541  -2.428  -6.601
  396   1HB   LYS  53          2HB       LYS  53  -2.318  -1.952  -7.663
  397   2HB   LYS  53          1HB       LYS  53  -2.004  -3.679  -7.677
  398   1HG   LYS  53          2HG       LYS  53  -3.788  -4.064  -9.229
  399   2HG   LYS  53          1HG       LYS  53  -4.331  -2.387  -9.094
  400   1HD   LYS  53          2HD       LYS  53  -2.173  -1.633 -10.032
  401   2HD   LYS  53          1HD       LYS  53  -1.673  -3.315 -10.202
  402   1HE   LYS  53          2HE       LYS  53  -3.508  -3.709 -11.766
  403   2HE   LYS  53          1HE       LYS  53  -4.036  -2.037 -11.579
  404   1HZ   LYS  53          1HZ       LYS  53  -2.690  -2.407 -13.583
  405   2HZ   LYS  53          2HZ       LYS  53  -1.376  -2.850 -12.612
  406   3HZ   LYS  53          3HZ       LYS  53  -1.989  -1.279 -12.534
  407    H    GLY  54           H        GLY  54  -6.113  -3.934  -6.623
  408   1HA   GLY  54          2HA       GLY  54  -7.068  -6.069  -6.781
  409   2HA   GLY  54          1HA       GLY  54  -5.467  -6.781  -6.627
  410    H    SER  55           H        SER  55  -7.526  -4.647  -4.663
  411    HA   SER  55           HA       SER  55  -7.430  -6.469  -2.390
  412   1HB   SER  55          2HB       SER  55  -5.323  -5.135  -2.230
  413   2HB   SER  55          1HB       SER  55  -6.286  -3.661  -2.186
  414    HG   SER  55           HG       SER  55  -5.642  -5.313  -0.175
  415    H    LYS  56           H        LYS  56  -8.124  -4.225  -0.548
  416    HA   LYS  56           HA       LYS  56 -10.950  -4.006  -1.331
  417   1HB   LYS  56          2HB       LYS  56 -11.361  -3.586   1.067
  418   2HB   LYS  56          1HB       LYS  56 -10.552  -5.118   0.776
  419   1HG   LYS  56          2HG       LYS  56  -8.442  -4.213   1.486
  420   2HG   LYS  56          1HG       LYS  56  -9.133  -2.594   1.614
  421   1HD   LYS  56          2HD       LYS  56 -10.014  -4.973   3.256
  422   2HD   LYS  56          1HD       LYS  56  -8.871  -3.748   3.807
  423   1HE   LYS  56          2HE       LYS  56 -10.611  -2.024   3.526
  424   2HE   LYS  56          1HE       LYS  56 -11.748  -3.271   3.015
  425   1HZ   LYS  56          1HZ       LYS  56 -10.404  -3.206   5.660
  426   2HZ   LYS  56          2HZ       LYS  56 -11.606  -4.288   5.165
  427   3HZ   LYS  56          3HZ       LYS  56 -11.972  -2.651   5.369
  428    H    ALA  57           H        ALA  57  -8.786  -2.074  -2.270
  429    HA   ALA  57           HA       ALA  57  -9.979   0.395  -1.156
  430   1HB   ALA  57          1HB       ALA  57  -7.806   0.073  -0.089
  431   2HB   ALA  57          2HB       ALA  57  -7.777   1.474  -1.162
  432   3HB   ALA  57          3HB       ALA  57  -7.035  -0.044  -1.670
  433    H    ASP  58           H        ASP  58  -8.395  -1.223  -3.795
  434    HA   ASP  58           HA       ASP  58  -8.572   0.924  -5.666
  435   1HB   ASP  58          2HB       ASP  58  -7.936  -0.861  -7.295
  436   2HB   ASP  58          1HB       ASP  58  -6.840  -0.718  -5.935
  437    H    ALA  59           H        ALA  59 -10.923   1.284  -5.077
  438    HA   ALA  59           HA       ALA  59 -12.794  -0.484  -6.499
  439   1HB   ALA  59          1HB       ALA  59 -13.347   1.813  -4.611
  440   2HB   ALA  59          2HB       ALA  59 -13.315   0.104  -4.171
  441   3HB   ALA  59          3HB       ALA  59 -14.546   0.705  -5.283
  442    H    LEU  60           H        LEU  60 -10.975   1.307  -7.948
  443    HA   LEU  60           HA       LEU  60 -12.481   3.591  -8.830
  444   1HB   LEU  60          2HB       LEU  60  -9.937   2.347  -9.886
  445   2HB   LEU  60          1HB       LEU  60 -10.651   3.806 -10.544
  446    HG   LEU  60           HG       LEU  60 -10.378   4.869  -8.277
  447   1HD1  LEU  60          1HD1      LEU  60  -8.789   3.865  -6.711
  448   2HD1  LEU  60          2HD1      LEU  60  -8.721   2.412  -7.709
  449   3HD1  LEU  60          3HD1      LEU  60 -10.228   2.865  -6.910
  450   1HD2  LEU  60          1HD2      LEU  60  -8.830   5.313 -10.111
  451   2HD2  LEU  60          2HD2      LEU  60  -7.858   3.918  -9.640
  452   3HD2  LEU  60          3HD2      LEU  60  -7.994   5.306  -8.560
  453    H    GLU  61           H        GLU  61 -14.447   2.465  -9.500
  454    HA   GLU  61           HA       GLU  61 -14.325   0.879 -11.928
  455   1HB   GLU  61          2HB       GLU  61 -16.663   1.899 -10.296
  456   2HB   GLU  61          1HB       GLU  61 -16.835   0.921 -11.749
  457   1HG   GLU  61          2HG       GLU  61 -15.583  -0.892 -10.680
  458   2HG   GLU  61          1HG       GLU  61 -15.422   0.085  -9.219
  459    H    HIS  62           H        HIS  62 -13.500   2.207 -13.497
  460    HA   HIS  62           HA       HIS  62 -15.385   4.197 -14.565
  461   1HB   HIS  62          2HB       HIS  62 -12.404   4.634 -14.239
  462   2HB   HIS  62          1HB       HIS  62 -13.440   5.641 -15.240
  463    HD1  HIS  62           HD1      HIS  62 -14.967   7.316 -14.063
  464    HD2  HIS  62           HD2      HIS  62 -12.652   5.039 -11.472
  465    HE1  HIS  62           HE1      HIS  62 -15.137   8.451 -11.833
  466    HE2  HIS  62           HE2      HIS  62 -13.539   7.197 -10.361
  467    H    HIS  63           H        HIS  63 -16.018   2.834 -16.266
  468    HA   HIS  63           HA       HIS  63 -14.109   1.535 -17.949
  469   1HB   HIS  63          2HB       HIS  63 -16.387   0.691 -17.887
  470   2HB   HIS  63          1HB       HIS  63 -17.013   2.226 -18.478
  471    HD1  HIS  63           HD1      HIS  63 -14.362  -0.220 -19.762
  472    HD2  HIS  63           HD2      HIS  63 -17.602   2.008 -21.112
  473    HE1  HIS  63           HE1      HIS  63 -14.539  -0.704 -22.213
  474    HE2  HIS  63           HE2      HIS  63 -16.367   0.803 -23.038
  475    H    HIS  64           H        HIS  64 -12.602   3.141 -18.405
  476    HA   HIS  64           HA       HIS  64 -13.238   5.609 -19.693
  477   1HB   HIS  64          2HB       HIS  64 -11.097   4.863 -18.348
  478   2HB   HIS  64          1HB       HIS  64 -10.543   4.268 -19.907
  479    HD1  HIS  64           HD1      HIS  64  -8.795   5.915 -20.564
  480    HD2  HIS  64           HD2      HIS  64 -12.234   7.777 -19.154
  481    HE1  HIS  64           HE1      HIS  64  -8.395   8.371 -20.858
  482    HE2  HIS  64           HE2      HIS  64 -10.549   9.465 -20.168
  483    H    HIS  65           H        HIS  65 -12.834   6.154 -21.965
  484    HA   HIS  65           HA       HIS  65 -13.812   4.155 -23.728
  485   1HB   HIS  65          2HB       HIS  65 -14.122   6.662 -23.954
  486   2HB   HIS  65          1HB       HIS  65 -12.471   6.738 -24.558
  487    HD1  HIS  65           HD1      HIS  65 -15.932   5.862 -25.543
  488    HD2  HIS  65           HD2      HIS  65 -12.106   5.570 -27.136
  489    HE1  HIS  65           HE1      HIS  65 -16.257   5.344 -27.976
  490    HE2  HIS  65           HE2      HIS  65 -13.938   5.359 -28.948
  491    H    HIS  66           H        HIS  66 -12.225   2.487 -23.267
  492    HA   HIS  66           HA       HIS  66 -10.372   1.762 -25.082
  493   1HB   HIS  66          2HB       HIS  66  -9.133   3.870 -24.612
  494   2HB   HIS  66          1HB       HIS  66  -8.945   3.371 -22.937
  495    HD1  HIS  66           HD1      HIS  66  -7.626   0.896 -22.763
  496    HD2  HIS  66           HD2      HIS  66  -6.991   3.236 -26.133
  497    HE1  HIS  66           HE1      HIS  66  -5.466   0.090 -23.738
  498    HE2  HIS  66           HE2      HIS  66  -4.998   1.668 -25.632
  499    H    HIS  67           H        HIS  67 -11.114   2.021 -21.675
  500    HA   HIS  67           HA       HIS  67 -10.237  -0.756 -21.231
  501   1HB   HIS  67          2HB       HIS  67  -8.466   0.675 -20.352
  502   2HB   HIS  67          1HB       HIS  67  -9.638   1.604 -19.422
  503    HD1  HIS  67           HD1      HIS  67 -10.877   0.214 -17.455
  504    HD2  HIS  67           HD2      HIS  67  -7.433  -1.499 -19.034
  505    HE1  HIS  67           HE1      HIS  67 -10.147  -1.502 -15.776
  506    HE2  HIS  67           HE2      HIS  67  -8.186  -2.652 -16.844
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -3.281  22.551 -15.401
    2   2H    MET   1          2H        MET   1  -4.530  22.895 -14.312
    3   3H    MET   1          3H        MET   1  -4.315  23.859 -15.682
    4    HA   MET   1           HA       MET   1  -6.189  22.393 -15.971
    5   1HB   MET   1          2HB       MET   1  -5.511  21.372 -18.111
    6   2HB   MET   1          1HB       MET   1  -4.947  23.027 -17.953
    7   1HG   MET   1          2HG       MET   1  -2.712  22.225 -17.387
    8   2HG   MET   1          1HG       MET   1  -3.268  20.558 -17.525
    9   1HE   MET   1          1HE       MET   1  -4.056  20.250 -21.342
   10   2HE   MET   1          2HE       MET   1  -5.192  20.653 -20.054
   11   3HE   MET   1          3HE       MET   1  -3.971  19.407 -19.797
   12    H    THR   2           H        THR   2  -3.358  20.823 -14.762
   13    HA   THR   2           HA       THR   2  -4.233  18.124 -15.096
   14    HB   THR   2           HB       THR   2  -2.428  17.627 -13.368
   15    HG1  THR   2           HG1      THR   2  -1.278  19.257 -12.528
   16   1HG2  THR   2          1HG2      THR   2  -1.953  17.513 -15.766
   17   2HG2  THR   2          2HG2      THR   2  -0.566  18.163 -14.891
   18   3HG2  THR   2          3HG2      THR   2  -1.623  19.245 -15.798
   19    H    ILE   3           H        ILE   3  -5.645  16.980 -13.872
   20    HA   ILE   3           HA       ILE   3  -6.640  17.960 -11.361
   21    HB   ILE   3           HB       ILE   3  -7.641  15.663 -11.109
   22   1HG1  ILE   3          2HG1      ILE   3  -6.477  15.208 -13.877
   23   2HG1  ILE   3          1HG1      ILE   3  -5.908  14.431 -12.404
   24   1HG2  ILE   3          1HG2      ILE   3  -8.195  17.077 -13.723
   25   2HG2  ILE   3          2HG2      ILE   3  -8.888  17.482 -12.153
   26   3HG2  ILE   3          3HG2      ILE   3  -9.279  15.942 -12.915
   27   1HD1  ILE   3          1HD1      ILE   3  -8.090  13.355 -12.143
   28   2HD1  ILE   3          2HD1      ILE   3  -7.319  12.941 -13.673
   29   3HD1  ILE   3          3HD1      ILE   3  -8.635  14.113 -13.640
   30    H    GLN   4           H        GLN   4  -4.426  18.369 -10.569
   31    HA   GLN   4           HA       GLN   4  -2.650  16.147 -10.116
   32   1HB   GLN   4          2HB       GLN   4  -1.131  17.899  -9.234
   33   2HB   GLN   4          1HB       GLN   4  -1.736  18.245 -10.847
   34   1HG   GLN   4          2HG       GLN   4  -3.402  19.777  -9.874
   35   2HG   GLN   4          1HG       GLN   4  -2.728  19.462  -8.276
   36   1HE2  GLN   4          1HE2      GLN   4  -2.163  21.607  -7.970
   37   2HE2  GLN   4          2HE2      GLN   4  -0.847  22.342  -8.809
   38    H    ALA   5           H        ALA   5  -5.255  16.465  -8.500
   39    HA   ALA   5           HA       ALA   5  -4.436  16.911  -5.791
   40   1HB   ALA   5          1HB       ALA   5  -6.678  16.222  -5.176
   41   2HB   ALA   5          2HB       ALA   5  -6.961  15.615  -6.809
   42   3HB   ALA   5          3HB       ALA   5  -6.726  17.343  -6.537
   43    HA   PRO   6           HA       PRO   6  -5.113  11.942  -5.633
   44   1HB   PRO   6          2HB       PRO   6  -3.595  11.514  -8.182
   45   2HB   PRO   6          1HB       PRO   6  -4.862  10.524  -7.444
   46   1HG   PRO   6          2HG       PRO   6  -5.436  12.125  -9.484
   47   2HG   PRO   6          1HG       PRO   6  -6.562  11.960  -8.121
   48   1HD   PRO   6          2HD       PRO   6  -4.719  14.209  -8.799
   49   2HD   PRO   6          1HD       PRO   6  -6.321  14.252  -8.035
   50    H    GLU   7           H        GLU   7  -3.705  12.289  -3.917
   51    HA   GLU   7           HA       GLU   7  -0.820  12.127  -4.345
   52   1HB   GLU   7          2HB       GLU   7  -0.701  12.322  -1.878
   53   2HB   GLU   7          1HB       GLU   7  -1.662  13.610  -2.592
   54   1HG   GLU   7          2HG       GLU   7  -3.720  12.369  -2.003
   55   2HG   GLU   7          1HG       GLU   7  -2.725  11.140  -1.224
   56    H    THR   8           H        THR   8  -2.678   9.927  -5.063
   57    HA   THR   8           HA       THR   8  -1.795   7.778  -3.235
   58    HB   THR   8           HB       THR   8  -4.393   7.909  -4.797
   59    HG1  THR   8           HG1      THR   8  -3.700   8.971  -2.418
   60   1HG2  THR   8          1HG2      THR   8  -3.433   5.921  -2.732
   61   2HG2  THR   8          2HG2      THR   8  -3.588   5.612  -4.462
   62   3HG2  THR   8          3HG2      THR   8  -5.024   5.933  -3.488
   63    H    LYS   9           H        LYS   9  -0.968   5.900  -4.132
   64    HA   LYS   9           HA       LYS   9  -0.884   5.712  -7.076
   65   1HB   LYS   9          2HB       LYS   9   1.509   5.503  -5.232
   66   2HB   LYS   9          1HB       LYS   9   1.525   5.103  -6.943
   67   1HG   LYS   9          2HG       LYS   9   0.973   7.427  -7.495
   68   2HG   LYS   9          1HG       LYS   9   0.936   7.819  -5.776
   69   1HD   LYS   9          2HD       LYS   9   3.330   7.119  -5.626
   70   2HD   LYS   9          1HD       LYS   9   3.329   6.898  -7.376
   71   1HE   LYS   9          2HE       LYS   9   2.831   9.481  -5.893
   72   2HE   LYS   9          1HE       LYS   9   4.284   9.054  -6.793
   73   1HZ   LYS   9          1HZ       LYS   9   2.957  10.456  -8.154
   74   2HZ   LYS   9          2HZ       LYS   9   1.571   9.530  -7.895
   75   3HZ   LYS   9          3HZ       LYS   9   2.849   8.898  -8.803
   76    H    ILE  10           H        ILE  10  -1.258   3.713  -7.815
   77    HA   ILE  10           HA       ILE  10  -1.686   1.575  -5.890
   78    HB   ILE  10           HB       ILE  10  -2.155   1.592  -8.883
   79   1HG1  ILE  10          2HG1      ILE  10  -4.096   1.973  -6.577
   80   2HG1  ILE  10          1HG1      ILE  10  -3.557   3.233  -7.684
   81   1HG2  ILE  10          1HG2      ILE  10  -1.849  -0.666  -8.010
   82   2HG2  ILE  10          2HG2      ILE  10  -3.533  -0.400  -8.460
   83   3HG2  ILE  10          3HG2      ILE  10  -3.059  -0.364  -6.762
   84   1HD1  ILE  10          1HD1      ILE  10  -4.631   2.054  -9.538
   85   2HD1  ILE  10          2HD1      ILE  10  -5.776   2.454  -8.258
   86   3HD1  ILE  10          3HD1      ILE  10  -5.176   0.803  -8.420
   87    H    VAL  11           H        VAL  11  -0.131   0.197  -5.360
   88    HA   VAL  11           HA       VAL  11   1.981  -0.475  -7.310
   89    HB   VAL  11           HB       VAL  11   3.333  -1.219  -5.385
   90   1HG1  VAL  11          1HG1      VAL  11   2.288   1.608  -5.126
   91   2HG1  VAL  11          2HG1      VAL  11   3.597   1.067  -6.178
   92   3HG1  VAL  11          3HG1      VAL  11   3.791   1.005  -4.426
   93   1HG2  VAL  11          1HG2      VAL  11   1.535  -1.863  -3.860
   94   2HG2  VAL  11          2HG2      VAL  11   1.046  -0.176  -3.697
   95   3HG2  VAL  11          3HG2      VAL  11   2.616  -0.703  -3.088
   96    H    ASP  12           H        ASP  12   2.814  -2.776  -7.128
   97    HA   ASP  12           HA       ASP  12   0.483  -4.545  -7.200
   98   1HB   ASP  12          2HB       ASP  12   3.322  -5.005  -8.138
   99   2HB   ASP  12          1HB       ASP  12   1.973  -6.109  -8.389
  100    H    LYS  13           H        LYS  13   3.217  -3.939  -5.195
  101    HA   LYS  13           HA       LYS  13   2.768  -6.468  -3.732
  102   1HB   LYS  13          2HB       LYS  13   5.372  -4.950  -4.032
  103   2HB   LYS  13          1HB       LYS  13   5.146  -6.412  -3.077
  104   1HG   LYS  13          2HG       LYS  13   4.573  -7.649  -5.121
  105   2HG   LYS  13          1HG       LYS  13   4.832  -6.184  -6.070
  106   1HD   LYS  13          2HD       LYS  13   7.183  -6.133  -5.304
  107   2HD   LYS  13          1HD       LYS  13   6.906  -7.631  -4.410
  108   1HE   LYS  13          2HE       LYS  13   6.343  -8.763  -6.534
  109   2HE   LYS  13          1HE       LYS  13   6.701  -7.270  -7.404
  110   1HZ   LYS  13          1HZ       LYS  13   8.980  -7.401  -6.521
  111   2HZ   LYS  13          2HZ       LYS  13   8.585  -8.724  -7.491
  112   3HZ   LYS  13          3HZ       LYS  13   8.611  -8.888  -5.810
  113    H    SER  14           H        SER  14   3.000  -6.444  -1.452
  114    HA   SER  14           HA       SER  14   1.896  -4.134  -0.196
  115   1HB   SER  14          2HB       SER  14   3.057  -6.634   1.070
  116   2HB   SER  14          1HB       SER  14   2.055  -5.440   1.893
  117    HG   SER  14           HG       SER  14   0.507  -6.738   1.262
  118    H    ARG  15           H        ARG  15   5.151  -5.167  -0.711
  119    HA   ARG  15           HA       ARG  15   6.261  -3.502   1.407
  120   1HB   ARG  15          2HB       ARG  15   7.606  -5.139  -0.757
  121   2HB   ARG  15          1HB       ARG  15   8.460  -4.256   0.505
  122   1HG   ARG  15          2HG       ARG  15   7.418  -5.641   2.208
  123   2HG   ARG  15          1HG       ARG  15   6.496  -6.491   0.968
  124   1HD   ARG  15          2HD       ARG  15   8.422  -7.823   1.622
  125   2HD   ARG  15          1HD       ARG  15   8.616  -7.269  -0.041
  126    HE   ARG  15           HE       ARG  15   9.857  -5.585   1.956
  127   1HH1  ARG  15          1HH1      ARG  15  10.285  -8.241  -0.207
  128   2HH1  ARG  15          2HH1      ARG  15  12.004  -8.090  -0.220
  129   1HH2  ARG  15          1HH2      ARG  15  12.066  -5.419   1.944
  130   2HH2  ARG  15          2HH2      ARG  15  13.003  -6.518   0.993
  131    H    VAL  16           H        VAL  16   6.374  -1.388   1.118
  132    HA   VAL  16           HA       VAL  16   6.868  -0.326  -1.602
  133    HB   VAL  16           HB       VAL  16   5.481   1.058   0.709
  134   1HG1  VAL  16          1HG1      VAL  16   4.921   2.786  -0.948
  135   2HG1  VAL  16          2HG1      VAL  16   5.877   1.933  -2.160
  136   3HG1  VAL  16          3HG1      VAL  16   6.665   2.627  -0.745
  137   1HG2  VAL  16          1HG2      VAL  16   4.111  -0.744  -0.191
  138   2HG2  VAL  16          2HG2      VAL  16   4.343  -0.133  -1.829
  139   3HG2  VAL  16          3HG2      VAL  16   3.438   0.820  -0.652
  140    H    ALA  17           H        ALA  17   8.892   0.392  -1.874
  141    HA   ALA  17           HA       ALA  17  10.418   1.431   0.407
  142   1HB   ALA  17          1HB       ALA  17  11.494  -0.227  -1.038
  143   2HB   ALA  17          2HB       ALA  17  12.356   1.311  -1.077
  144   3HB   ALA  17          3HB       ALA  17  11.310   0.851  -2.423
  145    H    CYS  18           H        CYS  18  10.289   3.558   0.814
  146    HA   CYS  18           HA       CYS  18   9.989   5.440  -1.447
  147   1HB   CYS  18          2HB       CYS  18   9.153   5.795   1.445
  148   2HB   CYS  18          1HB       CYS  18   8.982   7.010   0.182
  149    HG   CYS  18           HG       CYS  18   7.520   3.996  -0.314
  150    H    ASP  19           H        ASP  19  11.622   6.800  -1.835
  151    HA   ASP  19           HA       ASP  19  13.885   6.912  -0.026
  152   1HB   ASP  19          2HB       ASP  19  13.454   8.263  -2.704
  153   2HB   ASP  19          1HB       ASP  19  14.980   8.163  -1.828
  154    H    GLY  20           H        GLY  20  12.409   9.642  -1.822
  155   1HA   GLY  20          2HA       GLY  20  11.287  11.079   0.203
  156   2HA   GLY  20          1HA       GLY  20  13.002  11.404   0.382
  157    H    GLY  21           H        GLY  21  12.985  13.508  -0.124
  158   1HA   GLY  21          2HA       GLY  21  13.421  14.897  -2.178
  159   2HA   GLY  21          1HA       GLY  21  11.842  14.352  -2.719
  160    H    GLU  22           H        GLU  22  12.055  14.869   0.634
  161    HA   GLU  22           HA       GLU  22  10.416  17.252   0.531
  162   1HB   GLU  22          2HB       GLU  22  11.480  15.555   2.797
  163   2HB   GLU  22          1HB       GLU  22  10.545  17.019   3.070
  164   1HG   GLU  22          2HG       GLU  22   9.586  14.592   1.549
  165   2HG   GLU  22          1HG       GLU  22   9.175  14.991   3.217
  166    H    GLY  23           H        GLY  23  11.192  18.741   2.698
  167   1HA   GLY  23          2HA       GLY  23  13.018  20.557   1.810
  168   2HA   GLY  23          1HA       GLY  23  12.717  20.270   3.512
  169    H    ALA  24           H        ALA  24  13.882  17.941   4.097
  170    HA   ALA  24           HA       ALA  24  16.730  18.392   3.512
  171   1HB   ALA  24          1HB       ALA  24  16.034  18.275   5.859
  172   2HB   ALA  24          2HB       ALA  24  17.154  16.974   5.451
  173   3HB   ALA  24          3HB       ALA  24  15.427  16.640   5.595
  174    H    LEU  25           H        LEU  25  14.702  16.970   1.744
  175    HA   LEU  25           HA       LEU  25  14.714  15.350   0.175
  176   1HB   LEU  25          2HB       LEU  25  17.424  14.645   1.296
  177   2HB   LEU  25          1HB       LEU  25  16.725  13.924  -0.142
  178    HG   LEU  25           HG       LEU  25  17.567  16.802   0.229
  179   1HD1  LEU  25          1HD1      LEU  25  19.379  15.234  -0.214
  180   2HD1  LEU  25          2HD1      LEU  25  19.111  16.300  -1.591
  181   3HD1  LEU  25          3HD1      LEU  25  18.523  14.637  -1.637
  182   1HD2  LEU  25          1HD2      LEU  25  16.152  15.532  -2.120
  183   2HD2  LEU  25          2HD2      LEU  25  16.852  17.150  -2.099
  184   3HD2  LEU  25          3HD2      LEU  25  15.494  16.766  -1.045
  185    H    GLY  26           H        GLY  26  15.116  14.534   3.491
  186   1HA   GLY  26          2HA       GLY  26  13.673  13.043   4.591
  187   2HA   GLY  26          1HA       GLY  26  13.340  12.259   3.061
  188    H    HIS  27           H        HIS  27  14.462  10.399   2.533
  189    HA   HIS  27           HA       HIS  27  16.674   9.459   4.151
  190   1HB   HIS  27          2HB       HIS  27  15.119   7.477   4.962
  191   2HB   HIS  27          1HB       HIS  27  15.157   8.999   5.854
  192    HD1  HIS  27           HD1      HIS  27  13.116   7.492   3.005
  193    HD2  HIS  27           HD2      HIS  27  12.700  10.054   6.246
  194    HE1  HIS  27           HE1      HIS  27  10.704   8.184   3.011
  195    HE2  HIS  27           HE2      HIS  27  10.573   9.949   4.785
  196    HA   PRO  28           HA       PRO  28  16.806   7.484   0.034
  197   1HB   PRO  28          2HB       PRO  28  19.361   6.463   1.175
  198   2HB   PRO  28          1HB       PRO  28  19.056   7.259  -0.373
  199   1HG   PRO  28          2HG       PRO  28  20.249   8.572   1.618
  200   2HG   PRO  28          1HG       PRO  28  19.074   9.385   0.566
  201   1HD   PRO  28          2HD       PRO  28  18.721   8.350   3.356
  202   2HD   PRO  28          1HD       PRO  28  18.090   9.836   2.614
  203    H    ARG  29           H        ARG  29  15.104   6.006   0.529
  204    HA   ARG  29           HA       ARG  29  14.334   3.939   0.297
  205   1HB   ARG  29          2HB       ARG  29  16.296   3.076  -0.657
  206   2HB   ARG  29          1HB       ARG  29  17.188   3.183   0.846
  207   1HG   ARG  29          2HG       ARG  29  14.842   1.332   0.601
  208   2HG   ARG  29          1HG       ARG  29  16.426   0.874  -0.011
  209   1HD   ARG  29          2HD       ARG  29  17.240   1.640   2.349
  210   2HD   ARG  29          1HD       ARG  29  15.558   1.402   2.791
  211    HE   ARG  29           HE       ARG  29  15.800  -0.936   2.229
  212   1HH1  ARG  29          1HH1      ARG  29  18.746   0.848   2.272
  213   2HH1  ARG  29          2HH1      ARG  29  19.709  -0.541   2.641
  214   1HH2  ARG  29          1HH2      ARG  29  17.064  -2.726   2.694
  215   2HH2  ARG  29          2HH2      ARG  29  18.771  -2.522   2.894
  216    H    VAL  30           H        VAL  30  12.877   4.118   1.783
  217    HA   VAL  30           HA       VAL  30  13.408   2.561   4.236
  218    HB   VAL  30           HB       VAL  30  12.986   4.964   4.832
  219   1HG1  VAL  30          1HG1      VAL  30  10.715   5.866   4.643
  220   2HG1  VAL  30          2HG1      VAL  30  10.232   4.450   3.711
  221   3HG1  VAL  30          3HG1      VAL  30  11.434   5.565   3.061
  222   1HG2  VAL  30          1HG2      VAL  30  12.515   3.178   6.429
  223   2HG2  VAL  30          2HG2      VAL  30  10.885   3.007   5.777
  224   3HG2  VAL  30          3HG2      VAL  30  11.354   4.494   6.600
  225    H    TRP  31           H        TRP  31  12.017   0.855   4.553
  226    HA   TRP  31           HA       TRP  31  10.053   0.411   2.410
  227   1HB   TRP  31          2HB       TRP  31  11.513  -1.497   4.236
  228   2HB   TRP  31          1HB       TRP  31  10.180  -2.006   3.202
  229    HD1  TRP  31           HD1      TRP  31  13.718  -0.444   2.867
  230    HE1  TRP  31           HE1      TRP  31  14.687  -1.163   0.587
  231    HE3  TRP  31           HE3      TRP  31   9.653  -2.916   0.995
  232    HZ2  TRP  31           HZ2      TRP  31  13.839  -2.589  -1.691
  233    HZ3  TRP  31           HZ3      TRP  31   9.813  -3.929  -1.240
  234    HH2  TRP  31           HH2      TRP  31  11.865  -3.768  -2.556
  235    H    LEU  32           H        LEU  32   7.939   0.260   2.757
  236    HA   LEU  32           HA       LEU  32   6.937   0.123   5.531
  237   1HB   LEU  32          2HB       LEU  32   5.652   1.402   3.108
  238   2HB   LEU  32          1HB       LEU  32   4.886   1.241   4.676
  239    HG   LEU  32           HG       LEU  32   6.818   2.645   5.602
  240   1HD1  LEU  32          1HD1      LEU  32   7.931   4.137   4.015
  241   2HD1  LEU  32          2HD1      LEU  32   7.192   3.265   2.670
  242   3HD1  LEU  32          3HD1      LEU  32   8.351   2.449   3.721
  243   1HD2  LEU  32          1HD2      LEU  32   5.725   4.728   4.985
  244   2HD2  LEU  32          2HD2      LEU  32   4.533   3.471   5.321
  245   3HD2  LEU  32          3HD2      LEU  32   4.898   3.920   3.653
  246    H    GLN  33           H        GLN  33   4.841  -0.962   5.810
  247    HA   GLN  33           HA       GLN  33   4.384  -3.113   3.829
  248   1HB   GLN  33          2HB       GLN  33   5.358  -3.926   5.960
  249   2HB   GLN  33          1HB       GLN  33   4.001  -3.231   6.834
  250   1HG   GLN  33          2HG       GLN  33   3.615  -5.569   6.619
  251   2HG   GLN  33          1HG       GLN  33   2.486  -4.737   5.555
  252   1HE2  GLN  33          1HE2      GLN  33   5.887  -5.224   4.805
  253   2HE2  GLN  33          2HE2      GLN  33   5.620  -6.333   3.512
  254    H    ILE  34           H        ILE  34   2.401  -3.102   2.910
  255    HA   ILE  34           HA       ILE  34   0.409  -1.204   3.771
  256    HB   ILE  34           HB       ILE  34   0.335  -3.263   1.555
  257   1HG1  ILE  34          2HG1      ILE  34   0.800  -0.267   1.468
  258   2HG1  ILE  34          1HG1      ILE  34   2.044  -1.492   1.261
  259   1HG2  ILE  34          1HG2      ILE  34  -1.591  -1.995   0.682
  260   2HG2  ILE  34          2HG2      ILE  34  -1.578  -0.992   2.132
  261   3HG2  ILE  34          3HG2      ILE  34  -1.931  -2.718   2.254
  262   1HD1  ILE  34          1HD1      ILE  34   0.901  -2.276  -0.764
  263   2HD1  ILE  34          2HD1      ILE  34   1.386  -0.583  -0.870
  264   3HD1  ILE  34          3HD1      ILE  34  -0.301  -1.002  -0.560
  265    HA   PRO  35           HA       PRO  35  -2.033  -4.230   6.092
  266   1HB   PRO  35          2HB       PRO  35  -3.944  -2.554   6.966
  267   2HB   PRO  35          1HB       PRO  35  -2.303  -2.505   7.618
  268   1HG   PRO  35          2HG       PRO  35  -3.599  -0.707   5.616
  269   2HG   PRO  35          1HG       PRO  35  -2.493  -0.299   6.939
  270   1HD   PRO  35          2HD       PRO  35  -1.757  -0.584   4.276
  271   2HD   PRO  35          1HD       PRO  35  -0.646  -0.702   5.652
  272    H    GLU  36           H        GLU  36  -3.239  -5.663   4.979
  273    HA   GLU  36           HA       GLU  36  -4.565  -5.124   2.569
  274   1HB   GLU  36          2HB       GLU  36  -3.746  -7.333   3.138
  275   2HB   GLU  36          1HB       GLU  36  -4.878  -7.441   4.479
  276   1HG   GLU  36          2HG       GLU  36  -6.750  -7.368   2.867
  277   2HG   GLU  36          1HG       GLU  36  -5.576  -7.356   1.548
  278    H    ASP  37           H        ASP  37  -5.807  -5.131   5.863
  279    HA   ASP  37           HA       ASP  37  -8.560  -5.272   5.279
  280   1HB   ASP  37          2HB       ASP  37  -8.858  -4.284   7.559
  281   2HB   ASP  37          1HB       ASP  37  -7.791  -5.683   7.515
  282    H    THR  38           H        THR  38  -6.332  -2.547   5.299
  283    HA   THR  38           HA       THR  38  -8.482  -0.638   4.731
  284    HB   THR  38           HB       THR  38  -6.831   1.097   4.796
  285    HG1  THR  38           HG1      THR  38  -4.621   0.676   4.746
  286   1HG2  THR  38          1HG2      THR  38  -5.746   0.772   6.971
  287   2HG2  THR  38          2HG2      THR  38  -6.093  -0.956   6.890
  288   3HG2  THR  38          3HG2      THR  38  -7.416   0.205   7.004
  289    H    GLY  39           H        GLY  39  -5.574  -1.946   3.170
  290   1HA   GLY  39          2HA       GLY  39  -5.462  -2.543   0.868
  291   2HA   GLY  39          1HA       GLY  39  -6.771  -1.418   0.535
  292    H    TRP  40           H        TRP  40  -4.607   0.056   2.618
  293    HA   TRP  40           HA       TRP  40  -2.765   1.059   0.633
  294   1HB   TRP  40          2HB       TRP  40  -3.571   3.407   0.726
  295   2HB   TRP  40          1HB       TRP  40  -4.743   2.321  -0.011
  296    HD1  TRP  40           HD1      TRP  40  -7.005   1.815   1.389
  297    HE1  TRP  40           HE1      TRP  40  -8.157   3.122   3.285
  298    HE3  TRP  40           HE3      TRP  40  -3.127   4.866   2.748
  299    HZ2  TRP  40           HZ2      TRP  40  -7.506   5.183   5.108
  300    HZ3  TRP  40           HZ3      TRP  40  -3.474   6.477   4.574
  301    HH2  TRP  40           HH2      TRP  40  -5.620   6.631   5.728
  302    H    VAL  41           H        VAL  41  -1.120   2.409   1.502
  303    HA   VAL  41           HA       VAL  41  -1.170   2.819   4.431
  304    HB   VAL  41           HB       VAL  41   0.255   0.844   3.839
  305   1HG1  VAL  41          1HG1      VAL  41   2.400   1.185   2.721
  306   2HG1  VAL  41          2HG1      VAL  41   2.003   2.882   2.449
  307   3HG1  VAL  41          3HG1      VAL  41   1.060   1.619   1.658
  308   1HG2  VAL  41          1HG2      VAL  41   2.186   1.507   5.200
  309   2HG2  VAL  41          2HG2      VAL  41   0.681   2.121   5.883
  310   3HG2  VAL  41          3HG2      VAL  41   1.753   3.204   4.996
  311    H    GLU  42           H        GLU  42   0.006   4.651   5.191
  312    HA   GLU  42           HA       GLU  42   0.816   6.554   3.079
  313   1HB   GLU  42          2HB       GLU  42   0.093   8.387   4.487
  314   2HB   GLU  42          1HB       GLU  42  -1.235   7.262   4.271
  315   1HG   GLU  42          2HG       GLU  42   0.518   7.332   6.722
  316   2HG   GLU  42          1HG       GLU  42  -0.991   8.219   6.569
  317    H    CYS  43           H        CYS  43   2.827   7.387   3.156
  318    HA   CYS  43           HA       CYS  43   4.664   6.364   5.151
  319   1HB   CYS  43          2HB       CYS  43   5.368   6.411   2.820
  320   2HB   CYS  43          1HB       CYS  43   5.151   8.158   2.765
  321    HG   CYS  43           HG       CYS  43   7.553   6.407   4.450
  322    HA   PRO  44           HA       PRO  44   3.920   9.960   7.791
  323   1HB   PRO  44          2HB       PRO  44   6.203   8.768   9.289
  324   2HB   PRO  44          1HB       PRO  44   4.593   9.222   9.862
  325   1HG   PRO  44          2HG       PRO  44   5.251   6.660   9.527
  326   2HG   PRO  44          1HG       PRO  44   3.627   7.245   9.114
  327   1HD   PRO  44          2HD       PRO  44   5.933   6.613   7.303
  328   2HD   PRO  44          1HD       PRO  44   4.202   6.284   7.081
  329    H    TYR  45           H        TYR  45   7.008   8.990   6.428
  330    HA   TYR  45           HA       TYR  45   8.095  11.691   6.939
  331   1HB   TYR  45          2HB       TYR  45   9.603   9.118   6.421
  332   2HB   TYR  45          1HB       TYR  45  10.325  10.687   6.757
  333    HD1  TYR  45           HD2      TYR  45   9.632  11.795   9.021
  334    HD2  TYR  45           HD1      TYR  45   9.220   7.641   8.177
  335    HE1  TYR  45           HE2      TYR  45   9.550  11.316  11.432
  336    HE2  TYR  45           HE1      TYR  45   9.140   7.152  10.579
  337    HH   TYR  45           HH       TYR  45   8.635   9.525  12.922
  338    H    CYS  46           H        CYS  46   6.474  10.438   4.581
  339    HA   CYS  46           HA       CYS  46   7.945  11.988   2.577
  340   1HB   CYS  46          2HB       CYS  46   8.590   9.595   2.272
  341   2HB   CYS  46          1HB       CYS  46   6.899   9.215   1.968
  342    HG   CYS  46           HG       CYS  46   6.812  10.970  -0.306
  343    H    ASP  47           H        ASP  47   5.037  11.213   4.049
  344    HA   ASP  47           HA       ASP  47   2.869  11.761   3.745
  345   1HB   ASP  47          2HB       ASP  47   4.207  13.922   2.120
  346   2HB   ASP  47          1HB       ASP  47   2.483  13.920   2.480
  347    H    CYS  48           H        CYS  48   4.053   9.852   1.769
  348    HA   CYS  48           HA       CYS  48   2.280  10.287  -0.540
  349   1HB   CYS  48          2HB       CYS  48   4.597   8.367  -0.203
  350   2HB   CYS  48          1HB       CYS  48   3.621   8.531  -1.659
  351    HG   CYS  48           HG       CYS  48   4.769  11.485  -0.796
  352    H    LYS  49           H        LYS  49   0.660   8.903  -1.064
  353    HA   LYS  49           HA       LYS  49  -0.005   6.783   0.887
  354   1HB   LYS  49          2HB       LYS  49  -1.602   8.618   0.807
  355   2HB   LYS  49          1HB       LYS  49  -1.762   8.447  -0.933
  356   1HG   LYS  49          2HG       LYS  49  -2.809   6.258  -0.637
  357   2HG   LYS  49          1HG       LYS  49  -2.618   6.401   1.115
  358   1HD   LYS  49          2HD       LYS  49  -4.095   8.311   1.175
  359   2HD   LYS  49          1HD       LYS  49  -4.170   8.360  -0.586
  360   1HE   LYS  49          2HE       LYS  49  -5.298   6.183  -0.593
  361   2HE   LYS  49          1HE       LYS  49  -5.231   6.141   1.169
  362   1HZ   LYS  49          1HZ       LYS  49  -7.385   6.912   0.250
  363   2HZ   LYS  49          2HZ       LYS  49  -6.597   8.266  -0.386
  364   3HZ   LYS  49          3HZ       LYS  49  -6.653   8.033   1.289
  365    H    TYR  50           H        TYR  50   0.125   4.713   0.186
  366    HA   TYR  50           HA       TYR  50   0.067   4.219  -2.730
  367   1HB   TYR  50          2HB       TYR  50   1.619   2.740  -0.596
  368   2HB   TYR  50          1HB       TYR  50   1.566   2.293  -2.298
  369    HD1  TYR  50           HD2      TYR  50   2.737   3.627  -3.976
  370    HD2  TYR  50           HD1      TYR  50   2.892   4.671   0.149
  371    HE1  TYR  50           HE2      TYR  50   4.630   5.126  -4.431
  372    HE2  TYR  50           HE1      TYR  50   4.781   6.176  -0.300
  373    HH   TYR  50           HH       TYR  50   6.541   6.482  -1.954
  374    H    VAL  51           H        VAL  51  -1.515   2.971  -3.467
  375    HA   VAL  51           HA       VAL  51  -3.083   1.318  -1.610
  376    HB   VAL  51           HB       VAL  51  -3.583   2.212  -4.453
  377   1HG1  VAL  51          1HG1      VAL  51  -4.366  -0.083  -4.335
  378   2HG1  VAL  51          2HG1      VAL  51  -5.749   1.011  -4.332
  379   3HG1  VAL  51          3HG1      VAL  51  -5.222   0.253  -2.829
  380   1HG2  VAL  51          1HG2      VAL  51  -5.545   3.293  -3.456
  381   2HG2  VAL  51          2HG2      VAL  51  -4.054   3.835  -2.685
  382   3HG2  VAL  51          3HG2      VAL  51  -5.093   2.664  -1.871
  383    H    LEU  52           H        LEU  52  -3.218  -0.875  -1.690
  384    HA   LEU  52           HA       LEU  52  -1.247  -2.328  -3.256
  385   1HB   LEU  52          2HB       LEU  52  -1.499  -2.887  -0.911
  386   2HB   LEU  52          1HB       LEU  52  -3.207  -3.217  -1.132
  387    HG   LEU  52           HG       LEU  52  -2.666  -5.164  -2.529
  388   1HD1  LEU  52          1HD1      LEU  52   0.221  -4.507  -1.910
  389   2HD1  LEU  52          2HD1      LEU  52  -0.559  -4.381  -3.488
  390   3HD1  LEU  52          3HD1      LEU  52  -0.356  -5.959  -2.729
  391   1HD2  LEU  52          1HD2      LEU  52  -1.269  -5.131   0.151
  392   2HD2  LEU  52          2HD2      LEU  52  -1.690  -6.585  -0.755
  393   3HD2  LEU  52          3HD2      LEU  52  -2.962  -5.522  -0.153
  394    H    LYS  53           H        LYS  53  -1.699  -3.118  -5.208
  395    HA   LYS  53           HA       LYS  53  -4.306  -3.224  -6.314
  396   1HB   LYS  53          2HB       LYS  53  -2.271  -2.893  -7.664
  397   2HB   LYS  53          1HB       LYS  53  -1.761  -4.535  -7.297
  398   1HG   LYS  53          2HG       LYS  53  -3.699  -5.424  -8.470
  399   2HG   LYS  53          1HG       LYS  53  -4.269  -3.785  -8.794
  400   1HD   LYS  53          2HD       LYS  53  -1.661  -4.958  -9.774
  401   2HD   LYS  53          1HD       LYS  53  -3.130  -4.780 -10.737
  402   1HE   LYS  53          2HE       LYS  53  -3.021  -2.374 -10.546
  403   2HE   LYS  53          1HE       LYS  53  -1.655  -2.486  -9.436
  404   1HZ   LYS  53          1HZ       LYS  53  -0.978  -1.942 -11.706
  405   2HZ   LYS  53          2HZ       LYS  53  -1.626  -3.402 -12.260
  406   3HZ   LYS  53          3HZ       LYS  53  -0.315  -3.412 -11.191
  407    H    GLY  54           H        GLY  54  -5.834  -4.705  -6.045
  408   1HA   GLY  54          2HA       GLY  54  -6.433  -7.110  -6.105
  409   2HA   GLY  54          1HA       GLY  54  -5.066  -7.385  -5.034
  410    H    SER  55           H        SER  55  -5.665  -4.926  -3.490
  411    HA   SER  55           HA       SER  55  -7.577  -6.075  -1.648
  412   1HB   SER  55          2HB       SER  55  -6.052  -3.456  -1.554
  413   2HB   SER  55          1HB       SER  55  -7.032  -4.100  -0.239
  414    HG   SER  55           HG       SER  55  -5.600  -5.728   0.053
  415    H    LYS  56           H        LYS  56  -9.278  -4.574  -0.650
  416    HA   LYS  56           HA       LYS  56 -11.218  -4.032  -2.587
  417   1HB   LYS  56          2HB       LYS  56 -12.559  -3.088  -0.795
  418   2HB   LYS  56          1HB       LYS  56 -11.746  -4.547  -0.246
  419   1HG   LYS  56          2HG       LYS  56 -10.069  -3.181   0.907
  420   2HG   LYS  56          1HG       LYS  56 -10.888  -1.716   0.350
  421   1HD   LYS  56          2HD       LYS  56 -12.926  -2.444   1.556
  422   2HD   LYS  56          1HD       LYS  56 -12.036  -3.841   2.167
  423   1HE   LYS  56          2HE       LYS  56 -10.459  -2.338   3.292
  424   2HE   LYS  56          1HE       LYS  56 -11.343  -0.944   2.670
  425   1HZ   LYS  56          1HZ       LYS  56 -12.000  -1.386   4.921
  426   2HZ   LYS  56          2HZ       LYS  56 -12.386  -2.992   4.546
  427   3HZ   LYS  56          3HZ       LYS  56 -13.302  -1.728   3.893
  428    H    ALA  57           H        ALA  57  -8.746  -1.920  -1.310
  429    HA   ALA  57           HA       ALA  57  -9.861   0.562  -2.109
  430   1HB   ALA  57          1HB       ALA  57  -8.009   0.412  -0.528
  431   2HB   ALA  57          2HB       ALA  57  -7.575   1.430  -1.901
  432   3HB   ALA  57          3HB       ALA  57  -6.959  -0.220  -1.796
  433    H    ASP  58           H        ASP  58  -8.001  -1.877  -3.800
  434    HA   ASP  58           HA       ASP  58  -7.575  -0.349  -6.197
  435   1HB   ASP  58          2HB       ASP  58  -6.025  -2.110  -5.541
  436   2HB   ASP  58          1HB       ASP  58  -7.312  -3.306  -5.580
  437    H    ALA  59           H        ALA  59 -10.314  -1.718  -4.896
  438    HA   ALA  59           HA       ALA  59 -11.472  -2.885  -7.261
  439   1HB   ALA  59          1HB       ALA  59 -13.464  -3.191  -5.898
  440   2HB   ALA  59          2HB       ALA  59 -12.778  -2.162  -4.638
  441   3HB   ALA  59          3HB       ALA  59 -12.022  -3.708  -5.025
  442    H    LEU  60           H        LEU  60 -10.677  -0.109  -7.632
  443    HA   LEU  60           HA       LEU  60 -12.915   1.610  -7.703
  444   1HB   LEU  60          2HB       LEU  60 -11.584   2.796  -9.540
  445   2HB   LEU  60          1HB       LEU  60 -10.851   2.670  -7.955
  446    HG   LEU  60           HG       LEU  60  -9.532   0.681  -8.849
  447   1HD1  LEU  60          1HD1      LEU  60 -10.889   0.160 -10.795
  448   2HD1  LEU  60          2HD1      LEU  60  -9.237   0.544 -11.277
  449   3HD1  LEU  60          3HD1      LEU  60 -10.521   1.734 -11.500
  450   1HD2  LEU  60          1HD2      LEU  60  -8.541   2.894  -8.519
  451   2HD2  LEU  60          2HD2      LEU  60  -9.057   3.373 -10.137
  452   3HD2  LEU  60          3HD2      LEU  60  -7.863   2.091  -9.932
  453    H    GLU  61           H        GLU  61 -13.908   2.430  -9.821
  454    HA   GLU  61           HA       GLU  61 -15.548   2.008 -11.325
  455   1HB   GLU  61          2HB       GLU  61 -14.890   0.975 -13.408
  456   2HB   GLU  61          1HB       GLU  61 -13.567   1.958 -12.805
  457   1HG   GLU  61          2HG       GLU  61 -12.318   0.041 -12.165
  458   2HG   GLU  61          1HG       GLU  61 -13.697  -1.025 -12.421
  459    H    HIS  62           H        HIS  62 -17.400   0.938 -11.097
  460    HA   HIS  62           HA       HIS  62 -17.417  -1.785 -10.103
  461   1HB   HIS  62          2HB       HIS  62 -19.066   0.036  -9.405
  462   2HB   HIS  62          1HB       HIS  62 -19.835  -0.186 -10.975
  463    HD1  HIS  62           HD1      HIS  62 -21.006  -2.501 -11.393
  464    HD2  HIS  62           HD2      HIS  62 -19.625  -1.931  -7.517
  465    HE1  HIS  62           HE1      HIS  62 -22.090  -4.299 -10.023
  466    HE2  HIS  62           HE2      HIS  62 -21.376  -3.831  -7.663
  467    H    HIS  63           H        HIS  63 -16.178  -1.608 -12.589
  468    HA   HIS  63           HA       HIS  63 -18.074  -2.630 -14.571
  469   1HB   HIS  63          2HB       HIS  63 -16.432  -0.864 -15.199
  470   2HB   HIS  63          1HB       HIS  63 -15.124  -1.983 -14.844
  471    HD1  HIS  63           HD1      HIS  63 -14.275  -3.244 -16.790
  472    HD2  HIS  63           HD2      HIS  63 -18.167  -1.923 -17.397
  473    HE1  HIS  63           HE1      HIS  63 -14.826  -3.850 -19.157
  474    HE2  HIS  63           HE2      HIS  63 -17.234  -3.190 -19.453
  475    H    HIS  64           H        HIS  64 -16.743  -3.983 -12.071
  476    HA   HIS  64           HA       HIS  64 -16.210  -6.076 -11.406
  477   1HB   HIS  64          2HB       HIS  64 -16.751  -6.888 -14.272
  478   2HB   HIS  64          1HB       HIS  64 -16.538  -7.998 -12.919
  479    HD1  HIS  64           HD1      HIS  64 -18.995  -5.746 -14.524
  480    HD2  HIS  64           HD2      HIS  64 -18.735  -8.069 -11.096
  481    HE1  HIS  64           HE1      HIS  64 -21.320  -5.827 -13.603
  482    HE2  HIS  64           HE2      HIS  64 -21.171  -7.357 -11.612
  483    H    HIS  65           H        HIS  65 -14.307  -7.095 -11.014
  484    HA   HIS  65           HA       HIS  65 -12.024  -6.228 -12.655
  485   1HB   HIS  65          2HB       HIS  65 -12.258  -7.049  -9.765
  486   2HB   HIS  65          1HB       HIS  65 -10.696  -6.972 -10.574
  487    HD1  HIS  65           HD1      HIS  65  -9.596  -4.731 -10.671
  488    HD2  HIS  65           HD2      HIS  65 -13.622  -4.472  -9.686
  489    HE1  HIS  65           HE1      HIS  65  -9.991  -2.328 -10.089
  490    HE2  HIS  65           HE2      HIS  65 -12.459  -2.172  -9.680
  491    H    HIS  66           H        HIS  66 -10.053  -7.844 -12.262
  492    HA   HIS  66           HA       HIS  66 -10.722 -10.171 -13.776
  493   1HB   HIS  66          2HB       HIS  66  -8.106  -9.472 -12.413
  494   2HB   HIS  66          1HB       HIS  66  -8.327 -10.671 -13.686
  495    HD1  HIS  66           HD1      HIS  66  -6.859  -7.595 -13.435
  496    HD2  HIS  66           HD2      HIS  66  -9.868  -8.984 -15.941
  497    HE1  HIS  66           HE1      HIS  66  -6.856  -6.050 -15.405
  498    HE2  HIS  66           HE2      HIS  66  -8.804  -6.792 -16.804
  499    H    HIS  67           H        HIS  67 -12.048 -11.512 -12.638
  500    HA   HIS  67           HA       HIS  67 -11.334 -12.362  -9.940
  501   1HB   HIS  67          2HB       HIS  67 -13.576 -13.565 -10.069
  502   2HB   HIS  67          1HB       HIS  67 -13.629 -11.809 -10.148
  503    HD1  HIS  67           HD1      HIS  67 -14.304 -10.734 -12.418
  504    HD2  HIS  67           HD2      HIS  67 -14.471 -14.889 -12.375
  505    HE1  HIS  67           HE1      HIS  67 -15.559 -11.383 -14.488
  506    HE2  HIS  67           HE2      HIS  67 -15.459 -13.890 -14.543
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -7.551  26.507   1.267
    2   2H    MET   1          2H        MET   1  -8.762  25.549   1.957
    3   3H    MET   1          3H        MET   1  -9.043  26.342   0.491
    4    HA   MET   1           HA       MET   1  -8.646  23.980   0.170
    5   1HB   MET   1          2HB       MET   1  -6.901  24.203  -1.568
    6   2HB   MET   1          1HB       MET   1  -8.075  25.511  -1.631
    7   1HG   MET   1          2HG       MET   1  -6.504  26.996  -0.511
    8   2HG   MET   1          1HG       MET   1  -5.336  25.684  -0.382
    9   1HE   MET   1          1HE       MET   1  -7.705  26.451  -3.447
   10   2HE   MET   1          2HE       MET   1  -6.686  27.533  -4.398
   11   3HE   MET   1          3HE       MET   1  -7.295  28.050  -2.824
   12    H    THR   2           H        THR   2  -7.329  22.162   0.364
   13    HA   THR   2           HA       THR   2  -4.921  22.423   2.072
   14    HB   THR   2           HB       THR   2  -6.438  19.826   1.799
   15    HG1  THR   2           HG1      THR   2  -6.992  21.824   3.774
   16   1HG2  THR   2          1HG2      THR   2  -4.771  20.993   4.042
   17   2HG2  THR   2          2HG2      THR   2  -4.224  19.794   2.872
   18   3HG2  THR   2          3HG2      THR   2  -5.499  19.388   4.020
   19    H    ILE   3           H        ILE   3  -5.595  22.262  -0.999
   20    HA   ILE   3           HA       ILE   3  -4.605  21.518  -2.893
   21    HB   ILE   3           HB       ILE   3  -2.598  20.166  -1.076
   22   1HG1  ILE   3          2HG1      ILE   3  -2.573  22.610  -0.882
   23   2HG1  ILE   3          1HG1      ILE   3  -1.119  22.046  -1.696
   24   1HG2  ILE   3          1HG2      ILE   3  -2.643  19.037  -3.223
   25   2HG2  ILE   3          2HG2      ILE   3  -1.170  19.999  -3.089
   26   3HG2  ILE   3          3HG2      ILE   3  -2.517  20.579  -4.070
   27   1HD1  ILE   3          1HD1      ILE   3  -3.531  23.283  -3.013
   28   2HD1  ILE   3          2HD1      ILE   3  -2.107  22.675  -3.858
   29   3HD1  ILE   3          3HD1      ILE   3  -1.962  24.043  -2.755
   30    H    GLN   4           H        GLN   4  -4.891  19.026  -0.401
   31    HA   GLN   4           HA       GLN   4  -5.872  17.006  -0.319
   32   1HB   GLN   4          2HB       GLN   4  -8.028  16.784  -1.288
   33   2HB   GLN   4          1HB       GLN   4  -7.824  18.483  -0.896
   34   1HG   GLN   4          2HG       GLN   4  -7.305  18.932  -3.275
   35   2HG   GLN   4          1HG       GLN   4  -7.606  17.234  -3.632
   36   1HE2  GLN   4          1HE2      GLN   4  -9.048  20.275  -2.786
   37   2HE2  GLN   4          2HE2      GLN   4 -10.679  19.813  -3.108
   38    H    ALA   5           H        ALA   5  -3.607  17.295  -2.225
   39    HA   ALA   5           HA       ALA   5  -4.183  14.954  -3.939
   40   1HB   ALA   5          1HB       ALA   5  -3.700  16.965  -5.253
   41   2HB   ALA   5          2HB       ALA   5  -2.441  15.750  -5.461
   42   3HB   ALA   5          3HB       ALA   5  -2.154  17.144  -4.419
   43    HA   PRO   6           HA       PRO   6  -1.025  13.653  -0.847
   44   1HB   PRO   6          2HB       PRO   6  -2.214  11.448   0.065
   45   2HB   PRO   6          1HB       PRO   6  -2.825  13.051   0.503
   46   1HG   PRO   6          2HG       PRO   6  -3.863  11.119  -1.535
   47   2HG   PRO   6          1HG       PRO   6  -4.763  12.139  -0.400
   48   1HD   PRO   6          2HD       PRO   6  -4.284  12.740  -3.084
   49   2HD   PRO   6          1HD       PRO   6  -4.765  13.911  -1.839
   50    H    GLU   7           H        GLU   7  -1.027  13.034  -3.773
   51    HA   GLU   7           HA       GLU   7  -0.042  11.656  -5.283
   52   1HB   GLU   7          2HB       GLU   7   1.950  12.312  -4.116
   53   2HB   GLU   7          1HB       GLU   7   1.681  11.109  -2.861
   54   1HG   GLU   7          2HG       GLU   7   2.161   9.317  -4.365
   55   2HG   GLU   7          1HG       GLU   7   2.165  10.404  -5.749
   56    H    THR   8           H        THR   8  -1.373  10.085  -5.991
   57    HA   THR   8           HA       THR   8  -1.851   7.661  -4.453
   58    HB   THR   8           HB       THR   8  -2.676   8.351  -7.292
   59    HG1  THR   8           HG1      THR   8  -4.665   8.868  -6.392
   60   1HG2  THR   8          1HG2      THR   8  -3.614   6.109  -5.484
   61   2HG2  THR   8          2HG2      THR   8  -2.620   5.928  -6.929
   62   3HG2  THR   8          3HG2      THR   8  -4.281   6.499  -7.071
   63    H    LYS   9           H        LYS   9  -0.319   6.077  -4.419
   64    HA   LYS   9           HA       LYS   9   1.071   5.468  -6.958
   65   1HB   LYS   9          2HB       LYS   9   2.156   5.586  -4.160
   66   2HB   LYS   9          1HB       LYS   9   2.881   4.483  -5.323
   67   1HG   LYS   9          2HG       LYS   9   3.427   6.303  -6.801
   68   2HG   LYS   9          1HG       LYS   9   2.556   7.447  -5.779
   69   1HD   LYS   9          2HD       LYS   9   4.165   7.210  -4.015
   70   2HD   LYS   9          1HD       LYS   9   4.950   5.859  -4.834
   71   1HE   LYS   9          2HE       LYS   9   5.893   7.253  -6.476
   72   2HE   LYS   9          1HE       LYS   9   4.782   8.574  -6.121
   73   1HZ   LYS   9          1HZ       LYS   9   7.008   9.018  -5.290
   74   2HZ   LYS   9          2HZ       LYS   9   6.958   7.631  -4.327
   75   3HZ   LYS   9          3HZ       LYS   9   5.898   8.917  -4.020
   76    H    ILE  10           H        ILE  10  -0.141   3.832  -7.709
   77    HA   ILE  10           HA       ILE  10  -1.050   1.690  -5.968
   78    HB   ILE  10           HB       ILE  10  -1.369   1.992  -8.966
   79   1HG1  ILE  10          2HG1      ILE  10  -3.310   2.636  -6.718
   80   2HG1  ILE  10          1HG1      ILE  10  -2.468   3.820  -7.714
   81   1HG2  ILE  10          1HG2      ILE  10  -1.576  -0.326  -8.257
   82   2HG2  ILE  10          2HG2      ILE  10  -3.157   0.308  -8.712
   83   3HG2  ILE  10          3HG2      ILE  10  -2.736   0.134  -7.009
   84   1HD1  ILE  10          1HD1      ILE  10  -4.493   1.815  -8.690
   85   2HD1  ILE  10          2HD1      ILE  10  -3.660   3.013  -9.683
   86   3HD1  ILE  10          3HD1      ILE  10  -4.775   3.536  -8.421
   87    H    VAL  11           H        VAL  11  -0.051  -0.190  -5.682
   88    HA   VAL  11           HA       VAL  11   2.093  -1.010  -7.550
   89    HB   VAL  11           HB       VAL  11   3.300  -1.970  -5.605
   90   1HG1  VAL  11          1HG1      VAL  11   3.946   0.224  -6.437
   91   2HG1  VAL  11          2HG1      VAL  11   4.114   0.167  -4.681
   92   3HG1  VAL  11          3HG1      VAL  11   2.736   0.994  -5.412
   93   1HG2  VAL  11          1HG2      VAL  11   1.365  -2.259  -4.120
   94   2HG2  VAL  11          2HG2      VAL  11   1.231  -0.508  -3.952
   95   3HG2  VAL  11          3HG2      VAL  11   2.654  -1.347  -3.333
   96    H    ASP  12           H        ASP  12   2.587  -3.363  -7.464
   97    HA   ASP  12           HA       ASP  12   0.121  -4.911  -7.357
   98   1HB   ASP  12          2HB       ASP  12   1.338  -6.622  -8.562
   99   2HB   ASP  12          1HB       ASP  12   1.645  -5.064  -9.319
  100    H    LYS  13           H        LYS  13   2.890  -4.403  -5.405
  101    HA   LYS  13           HA       LYS  13   2.126  -6.656  -3.683
  102   1HB   LYS  13          2HB       LYS  13   4.675  -6.818  -3.170
  103   2HB   LYS  13          1HB       LYS  13   4.032  -7.578  -4.618
  104   1HG   LYS  13          2HG       LYS  13   4.734  -5.594  -5.926
  105   2HG   LYS  13          1HG       LYS  13   5.473  -4.933  -4.465
  106   1HD   LYS  13          2HD       LYS  13   7.076  -6.677  -4.369
  107   2HD   LYS  13          1HD       LYS  13   6.200  -7.650  -5.554
  108   1HE   LYS  13          2HE       LYS  13   7.513  -4.990  -6.137
  109   2HE   LYS  13          1HE       LYS  13   8.233  -6.563  -6.477
  110   1HZ   LYS  13          1HZ       LYS  13   6.364  -7.048  -7.939
  111   2HZ   LYS  13          2HZ       LYS  13   7.190  -5.666  -8.441
  112   3HZ   LYS  13          3HZ       LYS  13   5.705  -5.518  -7.642
  113    H    SER  14           H        SER  14   2.604  -6.410  -1.437
  114    HA   SER  14           HA       SER  14   1.732  -3.836  -0.622
  115   1HB   SER  14          2HB       SER  14   1.928  -4.838   1.718
  116   2HB   SER  14          1HB       SER  14   0.841  -5.632   0.595
  117    HG   SER  14           HG       SER  14   2.061  -7.207   1.554
  118    H    ARG  15           H        ARG  15   4.946  -5.326  -0.448
  119    HA   ARG  15           HA       ARG  15   5.928  -3.349   1.396
  120   1HB   ARG  15          2HB       ARG  15   7.277  -5.454  -0.276
  121   2HB   ARG  15          1HB       ARG  15   8.218  -4.249   0.597
  122   1HG   ARG  15          2HG       ARG  15   7.148  -4.959   2.699
  123   2HG   ARG  15          1HG       ARG  15   6.270  -6.206   1.813
  124   1HD   ARG  15          2HD       ARG  15   8.274  -7.370   1.293
  125   2HD   ARG  15          1HD       ARG  15   9.277  -6.020   1.823
  126    HE   ARG  15           HE       ARG  15   7.762  -6.830   4.010
  127   1HH1  ARG  15          1HH1      ARG  15  10.223  -8.131   1.976
  128   2HH1  ARG  15          2HH1      ARG  15  10.881  -9.121   3.229
  129   1HH2  ARG  15          1HH2      ARG  15   8.636  -8.075   5.611
  130   2HH2  ARG  15          2HH2      ARG  15   9.999  -9.083   5.267
  131    H    VAL  16           H        VAL  16   5.883  -1.295   0.805
  132    HA   VAL  16           HA       VAL  16   6.977  -0.529  -1.838
  133    HB   VAL  16           HB       VAL  16   4.996   1.052  -0.181
  134   1HG1  VAL  16          1HG1      VAL  16   5.936   1.420  -3.033
  135   2HG1  VAL  16          2HG1      VAL  16   6.380   2.428  -1.656
  136   3HG1  VAL  16          3HG1      VAL  16   4.709   2.390  -2.215
  137   1HG2  VAL  16          1HG2      VAL  16   3.304   0.381  -1.827
  138   2HG2  VAL  16          2HG2      VAL  16   3.950  -1.006  -0.952
  139   3HG2  VAL  16          3HG2      VAL  16   4.480  -0.683  -2.603
  140    H    ALA  17           H        ALA  17   8.891   0.514  -1.730
  141    HA   ALA  17           HA       ALA  17   9.834   1.693   0.738
  142   1HB   ALA  17          1HB       ALA  17  11.874   2.183  -0.510
  143   2HB   ALA  17          2HB       ALA  17  11.082   1.709  -2.014
  144   3HB   ALA  17          3HB       ALA  17  11.375   0.508  -0.757
  145    H    CYS  18           H        CYS  18   9.012   3.637   1.355
  146    HA   CYS  18           HA       CYS  18   7.891   5.532  -0.437
  147   1HB   CYS  18          2HB       CYS  18   7.680   7.016   1.454
  148   2HB   CYS  18          1HB       CYS  18   7.280   5.385   1.978
  149    HG   CYS  18           HG       CYS  18  10.488   6.003   2.490
  150    H    ASP  19           H        ASP  19   9.102   6.436  -1.960
  151    HA   ASP  19           HA       ASP  19  11.873   6.932  -1.743
  152   1HB   ASP  19          2HB       ASP  19  11.446   8.264  -3.913
  153   2HB   ASP  19          1HB       ASP  19  11.116   6.535  -3.910
  154    H    GLY  20           H        GLY  20   9.729   9.639  -2.673
  155   1HA   GLY  20          2HA       GLY  20   9.757  11.210  -0.452
  156   2HA   GLY  20          1HA       GLY  20  11.367  11.442  -1.109
  157    H    GLY  21           H        GLY  21   9.937  13.654  -0.874
  158   1HA   GLY  21          2HA       GLY  21   8.404  14.318  -3.207
  159   2HA   GLY  21          1HA       GLY  21   9.050  15.452  -2.029
  160    H    GLU  22           H        GLU  22  11.458  15.791  -2.165
  161    HA   GLU  22           HA       GLU  22  12.839  15.230  -4.602
  162   1HB   GLU  22          2HB       GLU  22  11.375  16.966  -5.469
  163   2HB   GLU  22          1HB       GLU  22  11.815  18.043  -4.150
  164   1HG   GLU  22          2HG       GLU  22  14.105  18.160  -4.997
  165   2HG   GLU  22          1HG       GLU  22  13.681  17.054  -6.305
  166    H    GLY  23           H        GLY  23  14.957  15.196  -4.162
  167   1HA   GLY  23          2HA       GLY  23  16.879  15.257  -2.887
  168   2HA   GLY  23          1HA       GLY  23  16.625  16.984  -3.035
  169    H    ALA  24           H        ALA  24  15.905  18.154  -1.253
  170    HA   ALA  24           HA       ALA  24  16.712  17.229   1.278
  171   1HB   ALA  24          1HB       ALA  24  14.917  19.568   0.621
  172   2HB   ALA  24          2HB       ALA  24  16.682  19.593   0.668
  173   3HB   ALA  24          3HB       ALA  24  15.760  19.308   2.146
  174    H    LEU  25           H        LEU  25  13.611  17.110  -0.299
  175    HA   LEU  25           HA       LEU  25  12.245  16.264   2.149
  176   1HB   LEU  25          2HB       LEU  25  11.158  16.766  -0.628
  177   2HB   LEU  25          1HB       LEU  25  10.194  16.412   0.796
  178    HG   LEU  25           HG       LEU  25  11.902  18.882   0.392
  179   1HD1  LEU  25          1HD1      LEU  25   9.890  18.884  -0.994
  180   2HD1  LEU  25          2HD1      LEU  25   9.793  20.092   0.287
  181   3HD1  LEU  25          3HD1      LEU  25   8.898  18.577   0.431
  182   1HD2  LEU  25          1HD2      LEU  25  10.088  18.120   2.687
  183   2HD2  LEU  25          2HD2      LEU  25  10.881  19.681   2.476
  184   3HD2  LEU  25          3HD2      LEU  25  11.848  18.232   2.737
  185    H    GLY  26           H        GLY  26  14.260  14.599   0.581
  186   1HA   GLY  26          2HA       GLY  26  12.738  12.319  -0.352
  187   2HA   GLY  26          1HA       GLY  26  14.482  12.413  -0.167
  188    H    HIS  27           H        HIS  27  13.489  10.076   0.585
  189    HA   HIS  27           HA       HIS  27  13.459  10.222   3.538
  190   1HB   HIS  27          2HB       HIS  27  11.937   8.150   1.942
  191   2HB   HIS  27          1HB       HIS  27  11.841   8.459   3.673
  192    HD1  HIS  27           HD1      HIS  27  11.511  11.592   3.461
  193    HD2  HIS  27           HD2      HIS  27   9.337   8.788   1.292
  194    HE1  HIS  27           HE1      HIS  27   9.416  12.765   2.754
  195    HE2  HIS  27           HE2      HIS  27   8.231  11.129   1.270
  196    HA   PRO  28           HA       PRO  28  16.986   7.577   3.209
  197   1HB   PRO  28          2HB       PRO  28  17.238   6.778   5.767
  198   2HB   PRO  28          1HB       PRO  28  17.476   8.463   5.290
  199   1HG   PRO  28          2HG       PRO  28  15.052   7.169   6.508
  200   2HG   PRO  28          1HG       PRO  28  15.837   8.701   6.944
  201   1HD   PRO  28          2HD       PRO  28  13.622   8.562   5.356
  202   2HD   PRO  28          1HD       PRO  28  14.836   9.851   5.213
  203    H    ARG  29           H        ARG  29  14.828   6.170   2.133
  204    HA   ARG  29           HA       ARG  29  14.153   4.173   1.550
  205   1HB   ARG  29          2HB       ARG  29  16.634   3.816   1.434
  206   2HB   ARG  29          1HB       ARG  29  16.525   3.067   3.023
  207   1HG   ARG  29          2HG       ARG  29  16.467   1.361   1.336
  208   2HG   ARG  29          1HG       ARG  29  14.892   1.449   2.112
  209   1HD   ARG  29          2HD       ARG  29  14.305   1.370  -0.115
  210   2HD   ARG  29          1HD       ARG  29  14.329   3.091   0.171
  211    HE   ARG  29           HE       ARG  29  16.554   3.113  -0.876
  212   1HH1  ARG  29          1HH1      ARG  29  14.501   0.419  -1.499
  213   2HH1  ARG  29          2HH1      ARG  29  15.233   0.077  -3.025
  214   1HH2  ARG  29          1HH2      ARG  29  17.483   2.650  -2.852
  215   2HH2  ARG  29          2HH2      ARG  29  16.884   1.308  -3.771
  216    H    VAL  30           H        VAL  30  12.350   4.291   2.721
  217    HA   VAL  30           HA       VAL  30  12.213   2.542   5.105
  218    HB   VAL  30           HB       VAL  30  10.320   4.809   4.419
  219   1HG1  VAL  30          1HG1      VAL  30   9.232   2.997   5.642
  220   2HG1  VAL  30          2HG1      VAL  30   9.397   4.426   6.660
  221   3HG1  VAL  30          3HG1      VAL  30  10.491   3.058   6.877
  222   1HG2  VAL  30          1HG2      VAL  30  12.488   4.672   6.520
  223   2HG2  VAL  30          2HG2      VAL  30  11.307   5.971   6.352
  224   3HG2  VAL  30          3HG2      VAL  30  12.493   5.689   5.078
  225    H    TRP  31           H        TRP  31  11.342   0.624   4.611
  226    HA   TRP  31           HA       TRP  31   9.567   0.353   2.304
  227   1HB   TRP  31          2HB       TRP  31  10.881  -1.705   4.099
  228   2HB   TRP  31          1HB       TRP  31   9.816  -2.109   2.757
  229    HD1  TRP  31           HD1      TRP  31  13.302  -0.620   3.453
  230    HE1  TRP  31           HE1      TRP  31  14.716  -0.835   1.309
  231    HE3  TRP  31           HE3      TRP  31   9.688  -2.344   0.273
  232    HZ2  TRP  31           HZ2      TRP  31  14.344  -1.637  -1.367
  233    HZ3  TRP  31           HZ3      TRP  31  10.300  -2.815  -2.063
  234    HH2  TRP  31           HH2      TRP  31  12.584  -2.467  -2.867
  235    H    LEU  32           H        LEU  32   7.515   0.924   2.772
  236    HA   LEU  32           HA       LEU  32   6.275   0.283   5.308
  237   1HB   LEU  32          2HB       LEU  32   5.194   1.601   2.812
  238   2HB   LEU  32          1HB       LEU  32   4.235   1.322   4.252
  239    HG   LEU  32           HG       LEU  32   5.841   2.769   5.529
  240   1HD1  LEU  32          1HD1      LEU  32   7.333   4.249   4.306
  241   2HD1  LEU  32          2HD1      LEU  32   6.908   3.455   2.789
  242   3HD1  LEU  32          3HD1      LEU  32   7.777   2.563   4.037
  243   1HD2  LEU  32          1HD2      LEU  32   4.973   4.889   4.621
  244   2HD2  LEU  32          2HD2      LEU  32   3.720   3.658   4.756
  245   3HD2  LEU  32          3HD2      LEU  32   4.418   4.033   3.181
  246    H    GLN  33           H        GLN  33   5.037  -1.429   5.752
  247    HA   GLN  33           HA       GLN  33   4.354  -3.352   3.635
  248   1HB   GLN  33          2HB       GLN  33   5.439  -4.117   5.747
  249   2HB   GLN  33          1HB       GLN  33   4.057  -3.530   6.654
  250   1HG   GLN  33          2HG       GLN  33   3.828  -5.877   6.433
  251   2HG   GLN  33          1HG       GLN  33   2.631  -5.138   5.378
  252   1HE2  GLN  33          1HE2      GLN  33   2.845  -5.353   3.178
  253   2HE2  GLN  33          2HE2      GLN  33   3.947  -6.458   2.443
  254    H    ILE  34           H        ILE  34   2.538  -2.809   2.585
  255    HA   ILE  34           HA       ILE  34   0.429  -1.268   3.643
  256    HB   ILE  34           HB       ILE  34   0.458  -3.082   1.225
  257   1HG1  ILE  34          2HG1      ILE  34   0.760  -0.074   1.484
  258   2HG1  ILE  34          1HG1      ILE  34   2.060  -1.204   1.131
  259   1HG2  ILE  34          1HG2      ILE  34  -1.534  -1.850   0.471
  260   2HG2  ILE  34          2HG2      ILE  34  -1.585  -1.004   2.018
  261   3HG2  ILE  34          3HG2      ILE  34  -1.836  -2.750   1.957
  262   1HD1  ILE  34          1HD1      ILE  34  -0.327  -0.671  -0.624
  263   2HD1  ILE  34          2HD1      ILE  34   1.000  -1.778  -0.982
  264   3HD1  ILE  34          3HD1      ILE  34   1.304  -0.046  -0.864
  265    HA   PRO  35           HA       PRO  35  -1.668  -4.511   5.936
  266   1HB   PRO  35          2HB       PRO  35  -3.718  -3.021   6.857
  267   2HB   PRO  35          1HB       PRO  35  -2.073  -2.831   7.482
  268   1HG   PRO  35          2HG       PRO  35  -3.511  -1.191   5.418
  269   2HG   PRO  35          1HG       PRO  35  -2.553  -0.638   6.802
  270   1HD   PRO  35          2HD       PRO  35  -1.554  -0.754   4.279
  271   2HD   PRO  35          1HD       PRO  35  -0.544  -1.015   5.712
  272    H    GLU  36           H        GLU  36  -2.797  -6.061   4.887
  273    HA   GLU  36           HA       GLU  36  -4.354  -5.582   2.575
  274   1HB   GLU  36          2HB       GLU  36  -3.171  -7.714   3.122
  275   2HB   GLU  36          1HB       GLU  36  -4.394  -8.037   4.344
  276   1HG   GLU  36          2HG       GLU  36  -6.115  -8.174   2.656
  277   2HG   GLU  36          1HG       GLU  36  -4.971  -7.692   1.402
  278    H    ASP  37           H        ASP  37  -5.151  -5.396   5.908
  279    HA   ASP  37           HA       ASP  37  -7.941  -5.827   5.800
  280   1HB   ASP  37          2HB       ASP  37  -6.639  -5.721   7.905
  281   2HB   ASP  37          1HB       ASP  37  -6.374  -3.999   7.642
  282    H    THR  38           H        THR  38  -5.999  -2.876   5.376
  283    HA   THR  38           HA       THR  38  -8.396  -1.335   4.655
  284    HB   THR  38           HB       THR  38  -7.021   0.644   4.755
  285    HG1  THR  38           HG1      THR  38  -4.737   0.425   5.207
  286   1HG2  THR  38          1HG2      THR  38  -7.769  -0.222   6.921
  287   2HG2  THR  38          2HG2      THR  38  -6.196   0.561   7.069
  288   3HG2  THR  38          3HG2      THR  38  -6.305  -1.199   7.044
  289    H    GLY  39           H        GLY  39  -5.141  -1.949   3.335
  290   1HA   GLY  39          2HA       GLY  39  -4.903  -2.773   1.061
  291   2HA   GLY  39          1HA       GLY  39  -6.285  -1.791   0.611
  292    H    TRP  40           H        TRP  40  -4.429   0.026   2.683
  293    HA   TRP  40           HA       TRP  40  -2.532   1.015   0.724
  294   1HB   TRP  40          2HB       TRP  40  -3.427   3.313   0.702
  295   2HB   TRP  40          1HB       TRP  40  -4.589   2.172   0.034
  296    HD1  TRP  40           HD1      TRP  40  -6.792   1.655   1.530
  297    HE1  TRP  40           HE1      TRP  40  -7.960   3.040   3.356
  298    HE3  TRP  40           HE3      TRP  40  -3.010   4.934   2.616
  299    HZ2  TRP  40           HZ2      TRP  40  -7.363   5.234   5.031
  300    HZ3  TRP  40           HZ3      TRP  40  -3.395   6.647   4.340
  301    HH2  TRP  40           HH2      TRP  40  -5.529   6.793   5.523
  302    H    VAL  41           H        VAL  41  -1.092   2.667   1.609
  303    HA   VAL  41           HA       VAL  41  -1.277   3.111   4.507
  304    HB   VAL  41           HB       VAL  41   0.208   1.155   4.211
  305   1HG1  VAL  41          1HG1      VAL  41   2.376   1.373   3.113
  306   2HG1  VAL  41          2HG1      VAL  41   1.984   3.025   2.633
  307   3HG1  VAL  41          3HG1      VAL  41   1.064   1.672   1.972
  308   1HG2  VAL  41          1HG2      VAL  41   2.119   2.007   5.506
  309   2HG2  VAL  41          2HG2      VAL  41   0.585   2.648   6.096
  310   3HG2  VAL  41          3HG2      VAL  41   1.642   3.660   5.111
  311    H    GLU  42           H        GLU  42  -0.442   5.086   5.185
  312    HA   GLU  42           HA       GLU  42   0.187   6.941   3.012
  313   1HB   GLU  42          2HB       GLU  42  -0.098   8.648   5.004
  314   2HB   GLU  42          1HB       GLU  42  -1.487   7.961   4.180
  315   1HG   GLU  42          2HG       GLU  42  -1.858   7.984   6.558
  316   2HG   GLU  42          1HG       GLU  42  -1.754   6.326   5.980
  317    H    CYS  43           H        CYS  43   1.890   8.490   3.186
  318    HA   CYS  43           HA       CYS  43   4.343   7.368   4.128
  319   1HB   CYS  43          2HB       CYS  43   4.296   8.722   2.102
  320   2HB   CYS  43          1HB       CYS  43   3.738  10.119   3.017
  321    HG   CYS  43           HG       CYS  43   6.842   8.753   2.883
  322    HA   PRO  44           HA       PRO  44   4.051   9.047   8.289
  323   1HB   PRO  44          2HB       PRO  44   6.838   8.142   8.583
  324   2HB   PRO  44          1HB       PRO  44   5.391   7.609   9.442
  325   1HG   PRO  44          2HG       PRO  44   6.644   6.040   7.644
  326   2HG   PRO  44          1HG       PRO  44   4.883   6.002   7.862
  327   1HD   PRO  44          2HD       PRO  44   6.500   7.368   5.731
  328   2HD   PRO  44          1HD       PRO  44   4.991   6.439   5.580
  329    H    TYR  45           H        TYR  45   6.095  10.105   5.804
  330    HA   TYR  45           HA       TYR  45   7.405  12.153   7.448
  331   1HB   TYR  45          2HB       TYR  45   7.854  11.277   4.591
  332   2HB   TYR  45          1HB       TYR  45   8.688  12.636   5.334
  333    HD1  TYR  45           HD2      TYR  45   8.334   8.958   5.338
  334    HD2  TYR  45           HD1      TYR  45  10.474  12.292   6.901
  335    HE1  TYR  45           HE2      TYR  45  10.069   7.439   6.196
  336    HE2  TYR  45           HE1      TYR  45  12.213  10.783   7.757
  337    HH   TYR  45           HH       TYR  45  12.439   8.420   8.415
  338    H    CYS  46           H        CYS  46   5.380  11.869   4.533
  339    HA   CYS  46           HA       CYS  46   4.676  14.719   4.855
  340   1HB   CYS  46          2HB       CYS  46   6.083  14.232   2.840
  341   2HB   CYS  46          1HB       CYS  46   4.779  13.224   2.223
  342    HG   CYS  46           HG       CYS  46   3.359  15.114   1.194
  343    H    ASP  47           H        ASP  47   3.140  12.558   2.518
  344    HA   ASP  47           HA       ASP  47   0.956  11.731   4.123
  345   1HB   ASP  47          2HB       ASP  47  -0.813  13.204   3.319
  346   2HB   ASP  47          1HB       ASP  47   0.446  14.156   4.096
  347    H    CYS  48           H        CYS  48   2.776  10.977   1.780
  348    HA   CYS  48           HA       CYS  48   1.217  10.623  -0.548
  349   1HB   CYS  48          2HB       CYS  48   3.610   8.999   0.341
  350   2HB   CYS  48          1HB       CYS  48   2.991   9.136  -1.301
  351    HG   CYS  48           HG       CYS  48   4.330  11.216  -1.969
  352    H    LYS  49           H        LYS  49  -0.203   9.050  -1.167
  353    HA   LYS  49           HA       LYS  49  -0.780   6.922   0.786
  354   1HB   LYS  49          2HB       LYS  49  -2.637   8.460   0.183
  355   2HB   LYS  49          1HB       LYS  49  -2.512   7.923  -1.488
  356   1HG   LYS  49          2HG       LYS  49  -3.132   5.669  -0.850
  357   2HG   LYS  49          1HG       LYS  49  -3.163   6.132   0.849
  358   1HD   LYS  49          2HD       LYS  49  -4.959   7.335  -1.265
  359   2HD   LYS  49          1HD       LYS  49  -5.418   5.981  -0.234
  360   1HE   LYS  49          2HE       LYS  49  -6.344   7.909   0.777
  361   2HE   LYS  49          1HE       LYS  49  -4.937   7.485   1.747
  362   1HZ   LYS  49          1HZ       LYS  49  -5.115   9.875   1.305
  363   2HZ   LYS  49          2HZ       LYS  49  -4.977   9.586  -0.354
  364   3HZ   LYS  49          3HZ       LYS  49  -3.687   9.224   0.680
  365    H    TYR  50           H        TYR  50   0.174   5.049   0.355
  366    HA   TYR  50           HA       TYR  50   0.725   4.260  -2.410
  367   1HB   TYR  50          2HB       TYR  50   1.599   2.906   0.161
  368   2HB   TYR  50          1HB       TYR  50   2.219   2.599  -1.461
  369    HD1  TYR  50           HD1      TYR  50   3.498   4.448  -2.642
  370    HD2  TYR  50           HD2      TYR  50   2.533   4.628   1.503
  371    HE1  TYR  50           HE1      TYR  50   5.210   6.184  -2.322
  372    HE2  TYR  50           HE2      TYR  50   4.239   6.367   1.829
  373    HH   TYR  50           HH       TYR  50   5.705   8.014  -0.757
  374    H    VAL  51           H        VAL  51  -0.969   3.307  -3.361
  375    HA   VAL  51           HA       VAL  51  -2.840   1.678  -1.793
  376    HB   VAL  51           HB       VAL  51  -3.011   2.562  -4.688
  377   1HG1  VAL  51          1HG1      VAL  51  -4.340   0.557  -4.244
  378   2HG1  VAL  51          2HG1      VAL  51  -5.380   1.952  -4.527
  379   3HG1  VAL  51          3HG1      VAL  51  -5.121   1.363  -2.884
  380   1HG2  VAL  51          1HG2      VAL  51  -4.615   4.243  -3.883
  381   2HG2  VAL  51          2HG2      VAL  51  -3.025   4.472  -3.157
  382   3HG2  VAL  51          3HG2      VAL  51  -4.321   3.727  -2.221
  383    H    LEU  52           H        LEU  52  -3.140  -0.483  -2.013
  384    HA   LEU  52           HA       LEU  52  -1.275  -1.979  -3.721
  385   1HB   LEU  52          2HB       LEU  52  -1.277  -2.534  -1.354
  386   2HB   LEU  52          1HB       LEU  52  -3.006  -2.826  -1.394
  387    HG   LEU  52           HG       LEU  52  -2.644  -4.779  -2.855
  388   1HD1  LEU  52          1HD1      LEU  52   0.287  -4.169  -2.491
  389   2HD1  LEU  52          2HD1      LEU  52  -0.628  -4.045  -3.994
  390   3HD1  LEU  52          3HD1      LEU  52  -0.379  -5.620  -3.242
  391   1HD2  LEU  52          1HD2      LEU  52  -1.628  -6.237  -1.181
  392   2HD2  LEU  52          2HD2      LEU  52  -2.714  -5.074  -0.423
  393   3HD2  LEU  52          3HD2      LEU  52  -0.969  -4.834  -0.339
  394    H    LYS  53           H        LYS  53  -1.942  -3.081  -5.486
  395    HA   LYS  53           HA       LYS  53  -4.581  -2.900  -6.481
  396   1HB   LYS  53          2HB       LYS  53  -2.603  -3.189  -7.936
  397   2HB   LYS  53          1HB       LYS  53  -2.373  -4.814  -7.300
  398   1HG   LYS  53          2HG       LYS  53  -4.710  -5.328  -8.163
  399   2HG   LYS  53          1HG       LYS  53  -4.619  -3.792  -9.026
  400   1HD   LYS  53          2HD       LYS  53  -2.716  -6.125  -9.342
  401   2HD   LYS  53          1HD       LYS  53  -4.000  -5.676 -10.464
  402   1HE   LYS  53          2HE       LYS  53  -2.879  -3.491 -10.806
  403   2HE   LYS  53          1HE       LYS  53  -1.561  -4.041  -9.769
  404   1HZ   LYS  53          1HZ       LYS  53  -1.043  -4.343 -12.108
  405   2HZ   LYS  53          2HZ       LYS  53  -2.405  -5.324 -12.312
  406   3HZ   LYS  53          3HZ       LYS  53  -1.132  -5.837 -11.323
  407    H    GLY  54           H        GLY  54  -6.280  -4.372  -6.560
  408   1HA   GLY  54          2HA       GLY  54  -7.419  -6.376  -6.283
  409   2HA   GLY  54          1HA       GLY  54  -5.947  -7.105  -5.668
  410    H    SER  55           H        SER  55  -6.008  -4.573  -3.770
  411    HA   SER  55           HA       SER  55  -7.275  -6.020  -1.590
  412   1HB   SER  55          2HB       SER  55  -6.250  -4.410  -0.131
  413   2HB   SER  55          1HB       SER  55  -5.058  -4.810  -1.372
  414    HG   SER  55           HG       SER  55  -5.128  -2.821  -2.073
  415    H    LYS  56           H        LYS  56  -8.424  -4.389   0.087
  416    HA   LYS  56           HA       LYS  56 -10.890  -3.698  -1.086
  417   1HB   LYS  56          2HB       LYS  56  -9.746  -2.974   1.614
  418   2HB   LYS  56          1HB       LYS  56 -11.406  -2.644   1.129
  419   1HG   LYS  56          2HG       LYS  56 -11.639  -5.114   0.684
  420   2HG   LYS  56          1HG       LYS  56 -10.081  -5.323   1.480
  421   1HD   LYS  56          2HD       LYS  56 -10.948  -4.428   3.543
  422   2HD   LYS  56          1HD       LYS  56 -12.471  -3.992   2.764
  423   1HE   LYS  56          2HE       LYS  56 -11.411  -6.791   3.170
  424   2HE   LYS  56          1HE       LYS  56 -12.725  -6.036   4.069
  425   1HZ   LYS  56          1HZ       LYS  56 -12.731  -6.607   1.155
  426   2HZ   LYS  56          2HZ       LYS  56 -13.990  -5.882   2.015
  427   3HZ   LYS  56          3HZ       LYS  56 -13.562  -7.486   2.335
  428    H    ALA  57           H        ALA  57  -8.011  -1.793  -0.539
  429    HA   ALA  57           HA       ALA  57  -9.201   0.772  -0.947
  430   1HB   ALA  57          1HB       ALA  57  -7.011   0.526   0.107
  431   2HB   ALA  57          2HB       ALA  57  -6.913   1.559  -1.320
  432   3HB   ALA  57          3HB       ALA  57  -6.348  -0.111  -1.398
  433    H    ASP  58           H        ASP  58  -8.083  -1.755  -3.049
  434    HA   ASP  58           HA       ASP  58  -8.386  -0.143  -5.460
  435   1HB   ASP  58          2HB       ASP  58  -6.524  -1.711  -5.345
  436   2HB   ASP  58          1HB       ASP  58  -7.624  -3.046  -5.019
  437    H    ALA  59           H        ALA  59 -10.210  -2.340  -3.514
  438    HA   ALA  59           HA       ALA  59 -12.123  -3.025  -5.584
  439   1HB   ALA  59          1HB       ALA  59 -13.244  -4.322  -3.836
  440   2HB   ALA  59          2HB       ALA  59 -12.147  -3.646  -2.629
  441   3HB   ALA  59          3HB       ALA  59 -11.518  -4.687  -3.905
  442    H    LEU  60           H        LEU  60 -11.833  -0.571  -3.128
  443    HA   LEU  60           HA       LEU  60 -14.635   0.004  -2.942
  444   1HB   LEU  60          2HB       LEU  60 -13.933   2.061  -1.747
  445   2HB   LEU  60          1HB       LEU  60 -13.292   0.583  -1.066
  446    HG   LEU  60           HG       LEU  60 -11.116   1.111  -2.297
  447   1HD1  LEU  60          1HD1      LEU  60 -11.936   2.752  -3.887
  448   2HD1  LEU  60          2HD1      LEU  60 -10.708   3.468  -2.845
  449   3HD1  LEU  60          3HD1      LEU  60 -12.414   3.824  -2.569
  450   1HD2  LEU  60          1HD2      LEU  60 -10.365   2.645  -0.557
  451   2HD2  LEU  60          2HD2      LEU  60 -11.397   1.382   0.111
  452   3HD2  LEU  60          3HD2      LEU  60 -12.040   3.007  -0.136
  453    H    GLU  61           H        GLU  61 -15.388   2.341  -3.378
  454    HA   GLU  61           HA       GLU  61 -16.010   3.938  -4.863
  455   1HB   GLU  61          2HB       GLU  61 -13.585   4.533  -4.867
  456   2HB   GLU  61          1HB       GLU  61 -13.357   3.458  -6.240
  457   1HG   GLU  61          2HG       GLU  61 -13.516   5.788  -6.940
  458   2HG   GLU  61          1HG       GLU  61 -14.838   4.824  -7.597
  459    H    HIS  62           H        HIS  62 -14.245   1.525  -6.837
  460    HA   HIS  62           HA       HIS  62 -16.209   1.391  -8.884
  461   1HB   HIS  62          2HB       HIS  62 -13.975   0.683  -9.420
  462   2HB   HIS  62          1HB       HIS  62 -13.934  -0.440  -8.069
  463    HD1  HIS  62           HD1      HIS  62 -14.894  -0.177 -11.639
  464    HD2  HIS  62           HD2      HIS  62 -15.405  -2.861  -8.498
  465    HE1  HIS  62           HE1      HIS  62 -15.648  -2.329 -12.698
  466    HE2  HIS  62           HE2      HIS  62 -15.941  -3.940 -10.783
  467    H    HIS  63           H        HIS  63 -18.257   0.911  -8.196
  468    HA   HIS  63           HA       HIS  63 -18.892  -0.624  -5.988
  469   1HB   HIS  63          2HB       HIS  63 -21.185  -0.865  -7.042
  470   2HB   HIS  63          1HB       HIS  63 -20.591   0.782  -6.888
  471    HD1  HIS  63           HD1      HIS  63 -20.359   2.137  -9.021
  472    HD2  HIS  63           HD2      HIS  63 -21.226  -1.866  -9.732
  473    HE1  HIS  63           HE1      HIS  63 -20.885   1.988 -11.471
  474    HE2  HIS  63           HE2      HIS  63 -21.290  -0.455 -11.900
  475    H    HIS  64           H        HIS  64 -18.622  -2.711  -5.548
  476    HA   HIS  64           HA       HIS  64 -17.441  -4.460  -7.405
  477   1HB   HIS  64          2HB       HIS  64 -17.079  -4.549  -4.945
  478   2HB   HIS  64          1HB       HIS  64 -18.707  -5.192  -4.752
  479    HD1  HIS  64           HD1      HIS  64 -15.249  -6.168  -5.723
  480    HD2  HIS  64           HD2      HIS  64 -19.037  -7.864  -5.643
  481    HE1  HIS  64           HE1      HIS  64 -14.890  -8.626  -6.034
  482    HE2  HIS  64           HE2      HIS  64 -17.207  -9.555  -6.308
  483    H    HIS  65           H        HIS  65 -20.790  -3.859  -6.794
  484    HA   HIS  65           HA       HIS  65 -21.966  -6.245  -7.555
  485   1HB   HIS  65          2HB       HIS  65 -22.826  -3.400  -8.073
  486   2HB   HIS  65          1HB       HIS  65 -23.818  -4.784  -8.529
  487    HD1  HIS  65           HD1      HIS  65 -23.361  -6.542  -6.025
  488    HD2  HIS  65           HD2      HIS  65 -24.272  -2.486  -5.907
  489    HE1  HIS  65           HE1      HIS  65 -24.396  -6.149  -3.774
  490    HE2  HIS  65           HE2      HIS  65 -24.868  -3.684  -3.691
  491    H    HIS  66           H        HIS  66 -22.252  -7.354  -9.389
  492    HA   HIS  66           HA       HIS  66 -21.820  -8.143 -11.469
  493   1HB   HIS  66          2HB       HIS  66 -22.398  -6.080 -12.568
  494   2HB   HIS  66          1HB       HIS  66 -20.878  -5.335 -12.090
  495    HD1  HIS  66           HD1      HIS  66 -22.145  -8.130 -14.331
  496    HD2  HIS  66           HD2      HIS  66 -18.856  -5.622 -13.897
  497    HE1  HIS  66           HE1      HIS  66 -20.708  -8.547 -16.346
  498    HE2  HIS  66           HE2      HIS  66 -18.720  -7.036 -16.060
  499    H    HIS  67           H        HIS  67 -20.411  -9.594 -10.683
  500    HA   HIS  67           HA       HIS  67 -18.485 -10.745 -10.455
  501   1HB   HIS  67          2HB       HIS  67 -17.926  -9.798 -12.687
  502   2HB   HIS  67          1HB       HIS  67 -17.115  -8.456 -11.884
  503    HD1  HIS  67           HD1      HIS  67 -16.901 -12.252 -11.927
  504    HD2  HIS  67           HD2      HIS  67 -14.462  -8.922 -11.458
  505    HE1  HIS  67           HE1      HIS  67 -14.569 -13.152 -11.731
  506    HE2  HIS  67           HE2      HIS  67 -13.140 -11.140 -11.265
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  -4.853  17.509   5.985
    2   2H    MET   1          2H        MET   1  -5.845  17.797   7.324
    3   3H    MET   1          3H        MET   1  -5.441  19.069   6.290
    4    HA   MET   1           HA       MET   1  -7.042  16.695   5.537
    5   1HB   MET   1          2HB       MET   1  -8.980  18.172   5.521
    6   2HB   MET   1          1HB       MET   1  -8.236  18.165   7.111
    7   1HG   MET   1          2HG       MET   1  -7.082  20.305   6.466
    8   2HG   MET   1          1HG       MET   1  -8.100  20.330   5.030
    9   1HE   MET   1          1HE       MET   1 -11.694  20.469   6.717
   10   2HE   MET   1          2HE       MET   1 -10.784  19.014   6.306
   11   3HE   MET   1          3HE       MET   1 -10.828  20.374   5.184
   12    H    THR   2           H        THR   2  -4.844  18.923   4.421
   13    HA   THR   2           HA       THR   2  -5.916  18.692   1.679
   14    HB   THR   2           HB       THR   2  -4.796  20.822   1.073
   15    HG1  THR   2           HG1      THR   2  -4.335  22.152   3.121
   16   1HG2  THR   2          1HG2      THR   2  -6.795  21.088   3.345
   17   2HG2  THR   2          2HG2      THR   2  -7.185  20.871   1.639
   18   3HG2  THR   2          3HG2      THR   2  -6.389  22.349   2.177
   19    H    ILE   3           H        ILE   3  -2.946  19.442   3.420
   20    HA   ILE   3           HA       ILE   3  -0.839  18.721   3.218
   21    HB   ILE   3           HB       ILE   3  -1.910  16.617   1.331
   22   1HG1  ILE   3          2HG1      ILE   3  -1.200  16.459   4.282
   23   2HG1  ILE   3          1HG1      ILE   3  -2.828  16.458   3.619
   24   1HG2  ILE   3          1HG2      ILE   3   0.791  16.791   2.683
   25   2HG2  ILE   3          2HG2      ILE   3   0.475  16.973   0.957
   26   3HG2  ILE   3          3HG2      ILE   3   0.201  15.421   1.745
   27   1HD1  ILE   3          1HD1      ILE   3  -2.163  14.225   4.237
   28   2HD1  ILE   3          2HD1      ILE   3  -0.736  14.334   3.208
   29   3HD1  ILE   3          3HD1      ILE   3  -2.348  14.335   2.487
   30    H    GLN   4           H        GLN   4  -2.655  19.610   0.459
   31    HA   GLN   4           HA       GLN   4  -2.225  20.670  -1.472
   32   1HB   GLN   4          2HB       GLN   4   0.378  21.285  -0.066
   33   2HB   GLN   4          1HB       GLN   4  -0.008  21.919  -1.660
   34   1HG   GLN   4          2HG       GLN   4  -1.623  22.393   0.843
   35   2HG   GLN   4          1HG       GLN   4  -0.475  23.528   0.135
   36   1HE2  GLN   4          1HE2      GLN   4  -3.362  23.795   0.605
   37   2HE2  GLN   4          2HE2      GLN   4  -4.055  24.161  -0.933
   38    H    ALA   5           H        ALA   5  -0.999  17.837  -0.742
   39    HA   ALA   5           HA       ALA   5  -0.202  17.233  -3.440
   40   1HB   ALA   5          1HB       ALA   5   1.922  18.064  -2.554
   41   2HB   ALA   5          2HB       ALA   5   2.014  16.333  -2.877
   42   3HB   ALA   5          3HB       ALA   5   1.829  16.913  -1.221
   43    HA   PRO   6           HA       PRO   6  -2.058  13.826  -0.728
   44   1HB   PRO   6          2HB       PRO   6  -4.591  13.788  -1.587
   45   2HB   PRO   6          1HB       PRO   6  -4.042  15.010  -0.431
   46   1HG   PRO   6          2HG       PRO   6  -4.441  15.253  -3.396
   47   2HG   PRO   6          1HG       PRO   6  -4.910  16.381  -2.109
   48   1HD   PRO   6          2HD       PRO   6  -2.635  16.641  -3.643
   49   2HD   PRO   6          1HD       PRO   6  -2.822  17.324  -2.015
   50    H    GLU   7           H        GLU   7  -0.501  13.560  -3.140
   51    HA   GLU   7           HA       GLU   7  -1.902  12.220  -5.209
   52   1HB   GLU   7          2HB       GLU   7   0.198  13.365  -5.634
   53   2HB   GLU   7          1HB       GLU   7   1.055  12.265  -4.558
   54   1HG   GLU   7          2HG       GLU   7   0.734  10.431  -6.047
   55   2HG   GLU   7          1HG       GLU   7  -0.387  11.354  -7.046
   56    H    THR   8           H        THR   8  -2.333  10.147  -5.596
   57    HA   THR   8           HA       THR   8  -1.630   8.141  -3.553
   58    HB   THR   8           HB       THR   8  -3.836   8.122  -5.639
   59    HG1  THR   8           HG1      THR   8  -5.124   8.741  -4.034
   60   1HG2  THR   8          1HG2      THR   8  -3.192   6.095  -3.487
   61   2HG2  THR   8          2HG2      THR   8  -3.057   5.844  -5.228
   62   3HG2  THR   8          3HG2      THR   8  -4.641   6.089  -4.493
   63    H    LYS   9           H        LYS   9  -0.787   6.098  -4.159
   64    HA   LYS   9           HA       LYS   9   0.041   5.785  -6.970
   65   1HB   LYS   9          2HB       LYS   9   1.850   5.541  -4.551
   66   2HB   LYS   9          1HB       LYS   9   2.272   4.934  -6.149
   67   1HG   LYS   9          2HG       LYS   9   2.138   7.181  -7.064
   68   2HG   LYS   9          1HG       LYS   9   1.653   7.810  -5.490
   69   1HD   LYS   9          2HD       LYS   9   3.801   7.146  -4.542
   70   2HD   LYS   9          1HD       LYS   9   4.280   6.432  -6.083
   71   1HE   LYS   9          2HE       LYS   9   5.329   8.575  -5.901
   72   2HE   LYS   9          1HE       LYS   9   4.066   8.689  -7.125
   73   1HZ   LYS   9          1HZ       LYS   9   4.013   9.736  -4.351
   74   2HZ   LYS   9          2HZ       LYS   9   2.620   9.610  -5.301
   75   3HZ   LYS   9          3HZ       LYS   9   3.887  10.607  -5.798
   76    H    ILE  10           H        ILE  10  -0.868   3.966  -7.643
   77    HA   ILE  10           HA       ILE  10  -1.532   1.844  -5.766
   78    HB   ILE  10           HB       ILE  10  -2.059   1.962  -8.746
   79   1HG1  ILE  10          2HG1      ILE  10  -3.878   2.654  -6.415
   80   2HG1  ILE  10          1HG1      ILE  10  -3.163   3.816  -7.528
   81   1HG2  ILE  10          1HG2      ILE  10  -3.222   0.187  -6.591
   82   2HG2  ILE  10          2HG2      ILE  10  -2.095  -0.309  -7.854
   83   3HG2  ILE  10          3HG2      ILE  10  -3.722   0.213  -8.283
   84   1HD1  ILE  10          1HD1      ILE  10  -5.151   1.671  -8.253
   85   2HD1  ILE  10          2HD1      ILE  10  -4.443   2.842  -9.365
   86   3HD1  ILE  10          3HD1      ILE  10  -5.493   3.390  -8.058
   87    H    VAL  11           H        VAL  11   0.047   0.484  -5.237
   88    HA   VAL  11           HA       VAL  11   2.146  -0.172  -7.176
   89    HB   VAL  11           HB       VAL  11   3.359  -1.127  -5.225
   90   1HG1  VAL  11          1HG1      VAL  11   3.738   1.187  -5.913
   91   2HG1  VAL  11          2HG1      VAL  11   3.866   1.030  -4.161
   92   3HG1  VAL  11          3HG1      VAL  11   2.414   1.725  -4.881
   93   1HG2  VAL  11          1HG2      VAL  11   1.456  -1.764  -3.843
   94   2HG2  VAL  11          2HG2      VAL  11   1.000  -0.071  -3.650
   95   3HG2  VAL  11          3HG2      VAL  11   2.508  -0.662  -2.954
   96    H    ASP  12           H        ASP  12   2.902  -2.361  -7.416
   97    HA   ASP  12           HA       ASP  12   0.659  -4.241  -7.543
   98   1HB   ASP  12          2HB       ASP  12   3.403  -4.365  -8.824
   99   2HB   ASP  12          1HB       ASP  12   2.069  -5.471  -9.139
  100    H    LYS  13           H        LYS  13   2.927  -3.570  -5.324
  101    HA   LYS  13           HA       LYS  13   3.025  -6.349  -4.360
  102   1HB   LYS  13          2HB       LYS  13   5.342  -6.029  -3.596
  103   2HB   LYS  13          1HB       LYS  13   5.210  -5.857  -5.342
  104   1HG   LYS  13          2HG       LYS  13   5.201  -3.389  -5.055
  105   2HG   LYS  13          1HG       LYS  13   5.468  -3.625  -3.325
  106   1HD   LYS  13          2HD       LYS  13   7.574  -4.820  -3.841
  107   2HD   LYS  13          1HD       LYS  13   7.307  -4.518  -5.558
  108   1HE   LYS  13          2HE       LYS  13   7.365  -2.080  -5.098
  109   2HE   LYS  13          1HE       LYS  13   7.727  -2.435  -3.410
  110   1HZ   LYS  13          1HZ       LYS  13   9.759  -3.555  -4.134
  111   2HZ   LYS  13          2HZ       LYS  13   9.737  -1.937  -4.624
  112   3HZ   LYS  13          3HZ       LYS  13   9.412  -3.161  -5.743
  113    H    SER  14           H        SER  14   3.305  -6.533  -2.015
  114    HA   SER  14           HA       SER  14   1.650  -4.599  -0.673
  115   1HB   SER  14          2HB       SER  14   3.072  -7.043   0.408
  116   2HB   SER  14          1HB       SER  14   1.876  -6.096   1.289
  117    HG   SER  14           HG       SER  14   0.383  -7.168   0.304
  118    H    ARG  15           H        ARG  15   5.101  -5.294  -0.695
  119    HA   ARG  15           HA       ARG  15   5.476  -3.225   1.383
  120   1HB   ARG  15          2HB       ARG  15   7.628  -4.294   1.900
  121   2HB   ARG  15          1HB       ARG  15   6.279  -5.402   2.101
  122   1HG   ARG  15          2HG       ARG  15   6.820  -6.279  -0.214
  123   2HG   ARG  15          1HG       ARG  15   8.317  -5.352  -0.110
  124   1HD   ARG  15          2HD       ARG  15   8.806  -7.587   0.581
  125   2HD   ARG  15          1HD       ARG  15   8.822  -6.574   2.025
  126    HE   ARG  15           HE       ARG  15   6.438  -8.146   1.304
  127   1HH1  ARG  15          1HH1      ARG  15   8.877  -7.290   3.591
  128   2HH1  ARG  15          2HH1      ARG  15   8.187  -8.257   4.846
  129   1HH2  ARG  15          1HH2      ARG  15   5.565  -9.368   2.900
  130   2HH2  ARG  15          2HH2      ARG  15   6.287  -9.396   4.471
  131    H    VAL  16           H        VAL  16   6.298  -1.356   0.737
  132    HA   VAL  16           HA       VAL  16   7.989  -1.273  -1.694
  133    HB   VAL  16           HB       VAL  16   5.916   0.799  -0.925
  134   1HG1  VAL  16          1HG1      VAL  16   7.642   0.564  -3.398
  135   2HG1  VAL  16          2HG1      VAL  16   7.822   1.758  -2.113
  136   3HG1  VAL  16          3HG1      VAL  16   6.383   1.772  -3.133
  137   1HG2  VAL  16          1HG2      VAL  16   4.655   0.009  -2.887
  138   2HG2  VAL  16          2HG2      VAL  16   4.830  -1.251  -1.667
  139   3HG2  VAL  16          3HG2      VAL  16   5.833  -1.282  -3.117
  140    H    ALA  17           H        ALA  17   9.883  -0.188  -1.491
  141    HA   ALA  17           HA       ALA  17  10.512   1.145   1.008
  142   1HB   ALA  17          1HB       ALA  17  12.175  -0.300  -0.068
  143   2HB   ALA  17          2HB       ALA  17  12.770   1.350   0.114
  144   3HB   ALA  17          3HB       ALA  17  12.215   0.781  -1.462
  145    H    CYS  18           H        CYS  18   9.218   3.000   1.027
  146    HA   CYS  18           HA       CYS  18   8.952   4.703  -1.254
  147   1HB   CYS  18          2HB       CYS  18   7.172   4.498   0.428
  148   2HB   CYS  18          1HB       CYS  18   8.217   5.251   1.628
  149    HG   CYS  18           HG       CYS  18   7.303   6.862  -1.245
  150    H    ASP  19           H        ASP  19  10.724   5.718  -1.984
  151    HA   ASP  19           HA       ASP  19  12.486   7.141  -2.141
  152   1HB   ASP  19          2HB       ASP  19  10.669   8.716  -1.560
  153   2HB   ASP  19          1HB       ASP  19  11.062   8.530   0.145
  154    H    GLY  20           H        GLY  20  12.653   4.854  -0.195
  155   1HA   GLY  20          2HA       GLY  20  14.929   5.900   1.391
  156   2HA   GLY  20          1HA       GLY  20  13.822   4.688   2.012
  157    H    GLY  21           H        GLY  21  16.795   5.162   0.573
  158   1HA   GLY  21          2HA       GLY  21  18.354   3.756  -0.371
  159   2HA   GLY  21          1HA       GLY  21  17.369   2.417   0.189
  160    H    GLU  22           H        GLU  22  16.063   4.822  -1.963
  161    HA   GLU  22           HA       GLU  22  16.040   2.864  -4.176
  162   1HB   GLU  22          2HB       GLU  22  14.086   5.065  -3.449
  163   2HB   GLU  22          1HB       GLU  22  14.005   4.158  -4.952
  164   1HG   GLU  22          2HG       GLU  22  13.880   2.867  -2.238
  165   2HG   GLU  22          1HG       GLU  22  12.457   3.392  -3.137
  166    H    GLY  23           H        GLY  23  15.046   5.007  -6.026
  167   1HA   GLY  23          2HA       GLY  23  17.262   5.698  -7.416
  168   2HA   GLY  23          1HA       GLY  23  15.817   6.686  -7.400
  169    H    ALA  24           H        ALA  24  15.868   7.788  -4.858
  170    HA   ALA  24           HA       ALA  24  18.229   9.516  -5.022
  171   1HB   ALA  24          1HB       ALA  24  16.008  10.582  -5.041
  172   2HB   ALA  24          2HB       ALA  24  16.985  11.096  -3.666
  173   3HB   ALA  24          3HB       ALA  24  15.694   9.916  -3.438
  174    H    LEU  25           H        LEU  25  17.309   6.843  -3.364
  175    HA   LEU  25           HA       LEU  25  17.858   5.820  -1.440
  176   1HB   LEU  25          2HB       LEU  25  20.305   5.739  -1.014
  177   2HB   LEU  25          1HB       LEU  25  19.826   5.408  -2.661
  178    HG   LEU  25           HG       LEU  25  20.446   7.867  -3.143
  179   1HD1  LEU  25          1HD1      LEU  25  20.620   8.670  -0.857
  180   2HD1  LEU  25          2HD1      LEU  25  22.180   8.808  -1.669
  181   3HD1  LEU  25          3HD1      LEU  25  21.898   7.501  -0.519
  182   1HD2  LEU  25          1HD2      LEU  25  22.618   5.892  -2.430
  183   2HD2  LEU  25          2HD2      LEU  25  22.785   7.284  -3.501
  184   3HD2  LEU  25          3HD2      LEU  25  21.728   5.947  -3.952
  185    H    GLY  26           H        GLY  26  16.780   8.465  -0.952
  186   1HA   GLY  26          2HA       GLY  26  18.174   9.997   0.892
  187   2HA   GLY  26          1HA       GLY  26  16.431   9.930   0.777
  188    H    HIS  27           H        HIS  27  15.483   7.866   1.845
  189    HA   HIS  27           HA       HIS  27  16.326   7.956   4.607
  190   1HB   HIS  27          2HB       HIS  27  14.266   6.045   3.513
  191   2HB   HIS  27          1HB       HIS  27  14.349   6.769   5.114
  192    HD1  HIS  27           HD1      HIS  27  12.270   6.911   2.398
  193    HD2  HIS  27           HD2      HIS  27  14.233   9.891   4.528
  194    HE1  HIS  27           HE1      HIS  27  11.030   9.006   1.900
  195    HE2  HIS  27           HE2      HIS  27  12.354  10.829   3.016
  196    HA   PRO  28           HA       PRO  28  18.865   4.291   4.724
  197   1HB   PRO  28          2HB       PRO  28  17.828   3.592   7.382
  198   2HB   PRO  28          1HB       PRO  28  19.434   4.162   6.923
  199   1HG   PRO  28          2HG       PRO  28  17.722   5.701   8.324
  200   2HG   PRO  28          1HG       PRO  28  18.853   6.388   7.142
  201   1HD   PRO  28          2HD       PRO  28  15.926   5.777   6.824
  202   2HD   PRO  28          1HD       PRO  28  16.832   7.226   6.331
  203    H    ARG  29           H        ARG  29  16.524   3.734   3.323
  204    HA   ARG  29           HA       ARG  29  15.364   2.060   2.450
  205   1HB   ARG  29          2HB       ARG  29  17.507   0.791   2.880
  206   2HB   ARG  29          1HB       ARG  29  16.747   0.186   4.343
  207   1HG   ARG  29          2HG       ARG  29  16.454  -1.458   2.655
  208   2HG   ARG  29          1HG       ARG  29  14.888  -0.703   2.909
  209   1HD   ARG  29          2HD       ARG  29  15.177   0.663   0.937
  210   2HD   ARG  29          1HD       ARG  29  16.823   0.070   0.719
  211    HE   ARG  29           HE       ARG  29  15.073  -2.115   0.670
  212   1HH1  ARG  29          1HH1      ARG  29  15.844   0.666  -1.192
  213   2HH1  ARG  29          2HH1      ARG  29  15.382  -0.054  -2.688
  214   1HH2  ARG  29          1HH2      ARG  29  14.507  -3.060  -1.281
  215   2HH2  ARG  29          2HH2      ARG  29  14.668  -2.152  -2.739
  216    H    VAL  30           H        VAL  30  13.517   2.861   3.193
  217    HA   VAL  30           HA       VAL  30  12.375   1.767   5.687
  218    HB   VAL  30           HB       VAL  30  11.478   4.204   4.122
  219   1HG1  VAL  30          1HG1      VAL  30  10.525   3.130   6.786
  220   2HG1  VAL  30          2HG1      VAL  30   9.608   3.147   5.279
  221   3HG1  VAL  30          3HG1      VAL  30  10.036   4.665   6.066
  222   1HG2  VAL  30          1HG2      VAL  30  12.369   5.498   5.997
  223   2HG2  VAL  30          2HG2      VAL  30  13.636   4.544   5.227
  224   3HG2  VAL  30          3HG2      VAL  30  12.940   4.016   6.760
  225    H    TRP  31           H        TRP  31  11.109   0.063   5.365
  226    HA   TRP  31           HA       TRP  31   9.670  -0.260   2.836
  227   1HB   TRP  31          2HB       TRP  31  10.231  -2.167   5.115
  228   2HB   TRP  31          1HB       TRP  31   9.193  -2.575   3.752
  229    HD1  TRP  31           HD1      TRP  31  12.850  -2.163   4.708
  230    HE1  TRP  31           HE1      TRP  31  14.315  -3.027   2.778
  231    HE3  TRP  31           HE3      TRP  31   9.222  -2.811   1.176
  232    HZ2  TRP  31           HZ2      TRP  31  13.973  -3.867   0.104
  233    HZ3  TRP  31           HZ3      TRP  31   9.867  -3.647  -1.046
  234    HH2  TRP  31           HH2      TRP  31  12.196  -4.163  -1.571
  235    H    LEU  32           H        LEU  32   7.649   0.452   2.698
  236    HA   LEU  32           HA       LEU  32   5.921   0.527   5.060
  237   1HB   LEU  32          2HB       LEU  32   5.577   1.594   2.255
  238   2HB   LEU  32          1HB       LEU  32   4.287   1.610   3.442
  239    HG   LEU  32           HG       LEU  32   5.734   3.028   4.916
  240   1HD1  LEU  32          1HD1      LEU  32   7.919   2.443   4.038
  241   2HD1  LEU  32          2HD1      LEU  32   7.655   4.182   3.914
  242   3HD1  LEU  32          3HD1      LEU  32   7.512   3.164   2.480
  243   1HD2  LEU  32          1HD2      LEU  32   5.367   5.084   3.659
  244   2HD2  LEU  32          2HD2      LEU  32   3.988   3.995   3.507
  245   3HD2  LEU  32          3HD2      LEU  32   5.138   4.150   2.179
  246    H    GLN  33           H        GLN  33   4.883  -1.300   5.531
  247    HA   GLN  33           HA       GLN  33   4.181  -3.214   3.436
  248   1HB   GLN  33          2HB       GLN  33   5.279  -4.061   5.456
  249   2HB   GLN  33          1HB       GLN  33   3.999  -3.396   6.457
  250   1HG   GLN  33          2HG       GLN  33   3.654  -5.749   6.242
  251   2HG   GLN  33          1HG       GLN  33   2.391  -4.916   5.340
  252   1HE2  GLN  33          1HE2      GLN  33   1.975  -6.678   4.027
  253   2HE2  GLN  33          2HE2      GLN  33   3.073  -7.226   2.816
  254    H    ILE  34           H        ILE  34   2.296  -2.834   2.425
  255    HA   ILE  34           HA       ILE  34   0.107  -1.436   3.640
  256    HB   ILE  34           HB       ILE  34   0.237  -2.946   1.016
  257   1HG1  ILE  34          2HG1      ILE  34   0.422   0.026   1.608
  258   2HG1  ILE  34          1HG1      ILE  34   1.780  -1.005   1.173
  259   1HG2  ILE  34          1HG2      ILE  34  -1.794  -1.665   0.424
  260   2HG2  ILE  34          2HG2      ILE  34  -1.860  -1.039   2.070
  261   3HG2  ILE  34          3HG2      ILE  34  -2.063  -2.766   1.775
  262   1HD1  ILE  34          1HD1      ILE  34  -0.589  -0.349  -0.567
  263   2HD1  ILE  34          2HD1      ILE  34   0.740  -1.424  -1.009
  264   3HD1  ILE  34          3HD1      ILE  34   1.046   0.291  -0.725
  265    HA   PRO  35           HA       PRO  35  -1.650  -5.216   5.373
  266   1HB   PRO  35          2HB       PRO  35  -3.337  -4.066   7.076
  267   2HB   PRO  35          1HB       PRO  35  -1.590  -3.905   7.309
  268   1HG   PRO  35          2HG       PRO  35  -3.522  -1.954   6.084
  269   2HG   PRO  35          1HG       PRO  35  -2.253  -1.650   7.283
  270   1HD   PRO  35          2HD       PRO  35  -1.956  -1.214   4.579
  271   2HD   PRO  35          1HD       PRO  35  -0.605  -1.543   5.683
  272    H    GLU  36           H        GLU  36  -3.463  -6.473   4.909
  273    HA   GLU  36           HA       GLU  36  -5.385  -5.533   3.015
  274   1HB   GLU  36          2HB       GLU  36  -6.494  -7.692   3.262
  275   2HB   GLU  36          1HB       GLU  36  -4.762  -7.906   3.077
  276   1HG   GLU  36          2HG       GLU  36  -6.122  -7.934   5.764
  277   2HG   GLU  36          1HG       GLU  36  -5.936  -9.379   4.775
  278    H    ASP  37           H        ASP  37  -5.140  -5.191   6.368
  279    HA   ASP  37           HA       ASP  37  -7.829  -4.948   7.161
  280   1HB   ASP  37          2HB       ASP  37  -5.496  -3.264   8.119
  281   2HB   ASP  37          1HB       ASP  37  -6.990  -3.587   8.994
  282    H    THR  38           H        THR  38  -5.629  -2.678   5.591
  283    HA   THR  38           HA       THR  38  -7.754  -0.625   5.456
  284    HB   THR  38           HB       THR  38  -6.000   1.024   5.124
  285    HG1  THR  38           HG1      THR  38  -3.837   0.424   4.996
  286   1HG2  THR  38          1HG2      THR  38  -6.507   0.411   7.451
  287   2HG2  THR  38          2HG2      THR  38  -4.811   0.859   7.261
  288   3HG2  THR  38          3HG2      THR  38  -5.265  -0.841   7.390
  289    H    GLY  39           H        GLY  39  -5.066  -1.958   3.518
  290   1HA   GLY  39          2HA       GLY  39  -5.231  -2.558   1.214
  291   2HA   GLY  39          1HA       GLY  39  -6.630  -1.505   1.059
  292    H    TRP  40           H        TRP  40  -4.394   0.101   2.868
  293    HA   TRP  40           HA       TRP  40  -2.762   1.191   0.744
  294   1HB   TRP  40          2HB       TRP  40  -3.625   3.507   1.002
  295   2HB   TRP  40          1HB       TRP  40  -4.840   2.418   0.347
  296    HD1  TRP  40           HD1      TRP  40  -6.910   1.781   1.952
  297    HE1  TRP  40           HE1      TRP  40  -7.912   2.969   4.002
  298    HE3  TRP  40           HE3      TRP  40  -3.041   4.946   3.032
  299    HZ2  TRP  40           HZ2      TRP  40  -7.167   4.990   5.830
  300    HZ3  TRP  40           HZ3      TRP  40  -3.266   6.475   4.945
  301    HH2  TRP  40           HH2      TRP  40  -5.286   6.498   6.316
  302    H    VAL  41           H        VAL  41  -1.304   2.950   1.591
  303    HA   VAL  41           HA       VAL  41  -1.169   3.161   4.508
  304    HB   VAL  41           HB       VAL  41   0.339   1.288   3.960
  305   1HG1  VAL  41          1HG1      VAL  41   2.376   1.651   2.652
  306   2HG1  VAL  41          2HG1      VAL  41   1.850   3.293   2.278
  307   3HG1  VAL  41          3HG1      VAL  41   0.930   1.913   1.678
  308   1HG2  VAL  41          1HG2      VAL  41   2.368   2.152   5.069
  309   2HG2  VAL  41          2HG2      VAL  41   0.888   2.683   5.871
  310   3HG2  VAL  41          3HG2      VAL  41   1.778   3.799   4.834
  311    H    GLU  42           H        GLU  42  -0.544   5.163   5.198
  312    HA   GLU  42           HA       GLU  42   0.076   7.163   3.155
  313   1HB   GLU  42          2HB       GLU  42  -0.373   8.840   4.843
  314   2HB   GLU  42          1HB       GLU  42  -1.685   7.676   4.822
  315   1HG   GLU  42          2HG       GLU  42   0.569   7.574   6.821
  316   2HG   GLU  42          1HG       GLU  42  -0.919   8.473   7.092
  317    H    CYS  43           H        CYS  43   2.030   8.137   2.926
  318    HA   CYS  43           HA       CYS  43   4.193   7.154   4.668
  319   1HB   CYS  43          2HB       CYS  43   4.543   6.652   2.323
  320   2HB   CYS  43          1HB       CYS  43   4.311   8.345   1.889
  321    HG   CYS  43           HG       CYS  43   7.011   7.850   1.650
  322    HA   PRO  44           HA       PRO  44   4.342  11.484   6.148
  323   1HB   PRO  44          2HB       PRO  44   5.683  10.927   8.437
  324   2HB   PRO  44          1HB       PRO  44   3.938  10.686   8.282
  325   1HG   PRO  44          2HG       PRO  44   6.153   8.673   8.060
  326   2HG   PRO  44          1HG       PRO  44   4.608   8.542   8.922
  327   1HD   PRO  44          2HD       PRO  44   5.019   7.441   6.473
  328   2HD   PRO  44          1HD       PRO  44   3.434   8.041   6.999
  329    H    TYR  45           H        TYR  45   6.605   9.306   4.982
  330    HA   TYR  45           HA       TYR  45   8.961  10.950   5.462
  331   1HB   TYR  45          2HB       TYR  45   8.689   8.409   3.831
  332   2HB   TYR  45          1HB       TYR  45  10.193   9.171   4.336
  333    HD1  TYR  45           HD2      TYR  45   7.309   7.175   5.445
  334    HD2  TYR  45           HD1      TYR  45  11.012   8.932   6.613
  335    HE1  TYR  45           HE2      TYR  45   7.309   5.807   7.488
  336    HE2  TYR  45           HE1      TYR  45  11.023   7.562   8.657
  337    HH   TYR  45           HH       TYR  45   9.469   6.362  10.086
  338    H    CYS  46           H        CYS  46   6.886   9.983   2.749
  339    HA   CYS  46           HA       CYS  46   8.319  11.893   0.998
  340   1HB   CYS  46          2HB       CYS  46   8.690   9.575   0.300
  341   2HB   CYS  46          1HB       CYS  46   6.954   9.305   0.214
  342    HG   CYS  46           HG       CYS  46   8.539  11.623  -1.739
  343    H    ASP  47           H        ASP  47   5.505  11.554   2.631
  344    HA   ASP  47           HA       ASP  47   3.502  12.613   2.585
  345   1HB   ASP  47          2HB       ASP  47   4.974  14.355   0.596
  346   2HB   ASP  47          1HB       ASP  47   3.416  14.763   1.305
  347    H    CYS  48           H        CYS  48   3.308  10.342   1.180
  348    HA   CYS  48           HA       CYS  48   1.271  11.014  -0.798
  349   1HB   CYS  48          2HB       CYS  48   3.653   9.264  -1.454
  350   2HB   CYS  48          1HB       CYS  48   2.175   9.288  -2.408
  351    HG   CYS  48           HG       CYS  48   3.372  12.352  -1.983
  352    H    LYS  49           H        LYS  49  -0.160   9.222  -1.314
  353    HA   LYS  49           HA       LYS  49  -0.236   7.192   0.832
  354   1HB   LYS  49          2HB       LYS  49  -2.193   8.682   0.725
  355   2HB   LYS  49          1HB       LYS  49  -2.476   8.199  -0.943
  356   1HG   LYS  49          2HG       LYS  49  -2.970   5.932  -0.250
  357   2HG   LYS  49          1HG       LYS  49  -2.554   6.318   1.418
  358   1HD   LYS  49          2HD       LYS  49  -4.915   6.341   1.330
  359   2HD   LYS  49          1HD       LYS  49  -4.428   8.034   1.352
  360   1HE   LYS  49          2HE       LYS  49  -5.105   6.518  -1.173
  361   2HE   LYS  49          1HE       LYS  49  -6.278   7.460  -0.262
  362   1HZ   LYS  49          1HZ       LYS  49  -4.821   9.412  -0.602
  363   2HZ   LYS  49          2HZ       LYS  49  -5.461   8.786  -2.032
  364   3HZ   LYS  49          3HZ       LYS  49  -3.853   8.479  -1.626
  365    H    TYR  50           H        TYR  50   0.231   5.143   0.316
  366    HA   TYR  50           HA       TYR  50   0.287   4.360  -2.518
  367   1HB   TYR  50          2HB       TYR  50   1.610   3.192  -0.059
  368   2HB   TYR  50          1HB       TYR  50   1.622   2.384  -1.622
  369    HD1  TYR  50           HD1      TYR  50   2.573   5.619   0.002
  370    HD2  TYR  50           HD2      TYR  50   3.328   2.845  -3.139
  371    HE1  TYR  50           HE1      TYR  50   4.576   6.896  -0.640
  372    HE2  TYR  50           HE2      TYR  50   5.329   4.113  -3.786
  373    HH   TYR  50           HH       TYR  50   6.268   6.313  -3.575
  374    H    VAL  51           H        VAL  51  -1.367   3.216  -3.300
  375    HA   VAL  51           HA       VAL  51  -2.978   1.559  -1.456
  376    HB   VAL  51           HB       VAL  51  -3.611   2.506  -4.265
  377   1HG1  VAL  51          1HG1      VAL  51  -4.631   0.325  -3.860
  378   2HG1  VAL  51          2HG1      VAL  51  -5.862   1.586  -3.881
  379   3HG1  VAL  51          3HG1      VAL  51  -5.320   0.909  -2.345
  380   1HG2  VAL  51          1HG2      VAL  51  -5.295   3.907  -3.173
  381   2HG2  VAL  51          2HG2      VAL  51  -3.682   4.277  -2.565
  382   3HG2  VAL  51          3HG2      VAL  51  -4.787   3.303  -1.595
  383    H    LEU  52           H        LEU  52  -3.237  -0.631  -1.719
  384    HA   LEU  52           HA       LEU  52  -1.284  -1.982  -3.407
  385   1HB   LEU  52          2HB       LEU  52  -1.485  -2.685  -1.094
  386   2HB   LEU  52          1HB       LEU  52  -3.191  -3.021  -1.309
  387    HG   LEU  52           HG       LEU  52  -2.641  -4.862  -2.855
  388   1HD1  LEU  52          1HD1      LEU  52  -0.332  -5.635  -3.081
  389   2HD1  LEU  52          2HD1      LEU  52   0.233  -4.225  -2.182
  390   3HD1  LEU  52          3HD1      LEU  52  -0.544  -4.019  -3.754
  391   1HD2  LEU  52          1HD2      LEU  52  -1.228  -5.027  -0.187
  392   2HD2  LEU  52          2HD2      LEU  52  -1.712  -6.400  -1.184
  393   3HD2  LEU  52          3HD2      LEU  52  -2.939  -5.344  -0.488
  394    H    LYS  53           H        LYS  53  -1.759  -2.653  -5.384
  395    HA   LYS  53           HA       LYS  53  -4.336  -2.669  -6.515
  396   1HB   LYS  53          2HB       LYS  53  -2.297  -2.392  -7.836
  397   2HB   LYS  53          1HB       LYS  53  -1.810  -4.038  -7.461
  398   1HG   LYS  53          2HG       LYS  53  -3.666  -4.928  -8.720
  399   2HG   LYS  53          1HG       LYS  53  -4.303  -3.306  -8.995
  400   1HD   LYS  53          2HD       LYS  53  -1.657  -4.371 -10.003
  401   2HD   LYS  53          1HD       LYS  53  -3.113  -4.129 -10.972
  402   1HE   LYS  53          2HE       LYS  53  -3.019  -1.732 -10.538
  403   2HE   LYS  53          1HE       LYS  53  -1.605  -1.955  -9.510
  404   1HZ   LYS  53          1HZ       LYS  53  -0.964  -1.202 -11.692
  405   2HZ   LYS  53          2HZ       LYS  53  -1.746  -2.511 -12.421
  406   3HZ   LYS  53          3HZ       LYS  53  -0.394  -2.775 -11.440
  407    H    GLY  54           H        GLY  54  -5.887  -4.205  -6.713
  408   1HA   GLY  54          2HA       GLY  54  -6.776  -6.381  -6.808
  409   2HA   GLY  54          1HA       GLY  54  -5.262  -7.016  -6.193
  410    H    SER  55           H        SER  55  -5.783  -4.612  -4.115
  411    HA   SER  55           HA       SER  55  -6.853  -6.344  -2.064
  412   1HB   SER  55          2HB       SER  55  -5.074  -4.736  -1.520
  413   2HB   SER  55          1HB       SER  55  -6.135  -3.397  -1.956
  414    HG   SER  55           HG       SER  55  -5.899  -4.546   0.395
  415    H    LYS  56           H        LYS  56  -8.529  -5.084  -0.484
  416    HA   LYS  56           HA       LYS  56 -10.988  -5.026  -1.908
  417   1HB   LYS  56          2HB       LYS  56 -10.823  -5.708   0.468
  418   2HB   LYS  56          1HB       LYS  56 -10.424  -4.050   0.905
  419   1HG   LYS  56          2HG       LYS  56 -12.621  -3.320   0.040
  420   2HG   LYS  56          1HG       LYS  56 -13.017  -5.003  -0.315
  421   1HD   LYS  56          2HD       LYS  56 -12.817  -5.554   2.066
  422   2HD   LYS  56          1HD       LYS  56 -12.405  -3.873   2.422
  423   1HE   LYS  56          2HE       LYS  56 -14.601  -3.173   1.535
  424   2HE   LYS  56          1HE       LYS  56 -15.007  -4.866   1.250
  425   1HZ   LYS  56          1HZ       LYS  56 -15.953  -4.056   3.315
  426   2HZ   LYS  56          2HZ       LYS  56 -14.417  -3.657   3.894
  427   3HZ   LYS  56          3HZ       LYS  56 -14.818  -5.273   3.619
  428    H    ALA  57           H        ALA  57  -8.730  -2.550  -0.959
  429    HA   ALA  57           HA       ALA  57 -10.476  -0.320  -1.436
  430   1HB   ALA  57          1HB       ALA  57  -8.549  -0.177   0.093
  431   2HB   ALA  57          2HB       ALA  57  -8.482   1.049  -1.175
  432   3HB   ALA  57          3HB       ALA  57  -7.459  -0.384  -1.278
  433    H    ASP  58           H        ASP  58  -8.440  -2.320  -3.405
  434    HA   ASP  58           HA       ASP  58  -8.729  -0.467  -5.679
  435   1HB   ASP  58          2HB       ASP  58  -6.392  -0.939  -5.076
  436   2HB   ASP  58          1HB       ASP  58  -6.680  -2.667  -5.277
  437    H    ALA  59           H        ALA  59 -10.842  -1.200  -6.161
  438    HA   ALA  59           HA       ALA  59 -11.026  -3.921  -7.276
  439   1HB   ALA  59          1HB       ALA  59 -13.219  -1.917  -6.719
  440   2HB   ALA  59          2HB       ALA  59 -12.786  -3.290  -5.699
  441   3HB   ALA  59          3HB       ALA  59 -13.448  -3.561  -7.311
  442    H    LEU  60           H        LEU  60 -10.662  -0.660  -8.169
  443    HA   LEU  60           HA       LEU  60 -11.988  -0.646 -10.671
  444   1HB   LEU  60          2HB       LEU  60 -10.585   1.416 -11.082
  445   2HB   LEU  60          1HB       LEU  60 -11.613   1.436  -9.663
  446    HG   LEU  60           HG       LEU  60  -9.518   0.749  -8.338
  447   1HD1  LEU  60          1HD1      LEU  60  -8.179   1.703 -10.865
  448   2HD1  LEU  60          2HD1      LEU  60  -8.093   0.084 -10.167
  449   3HD1  LEU  60          3HD1      LEU  60  -7.377   1.451  -9.314
  450   1HD2  LEU  60          1HD2      LEU  60  -8.765   3.077  -8.149
  451   2HD2  LEU  60          2HD2      LEU  60 -10.522   2.948  -8.164
  452   3HD2  LEU  60          3HD2      LEU  60  -9.669   3.483  -9.611
  453    H    GLU  61           H        GLU  61  -9.195  -2.304  -9.813
  454    HA   GLU  61           HA       GLU  61  -7.970  -2.141 -12.448
  455   1HB   GLU  61          2HB       GLU  61  -6.519  -2.295 -10.496
  456   2HB   GLU  61          1HB       GLU  61  -7.256  -3.822 -10.038
  457   1HG   GLU  61          2HG       GLU  61  -5.106  -4.213 -11.054
  458   2HG   GLU  61          1HG       GLU  61  -6.383  -4.858 -12.082
  459    H    HIS  62           H        HIS  62  -8.820  -5.027 -10.513
  460    HA   HIS  62           HA       HIS  62  -9.282  -6.533 -12.949
  461   1HB   HIS  62          2HB       HIS  62  -8.052  -7.450 -10.954
  462   2HB   HIS  62          1HB       HIS  62  -9.584  -7.481 -10.089
  463    HD1  HIS  62           HD1      HIS  62  -7.650  -9.232 -12.744
  464    HD2  HIS  62           HD2      HIS  62 -11.362  -9.534 -10.909
  465    HE1  HIS  62           HE1      HIS  62  -8.554 -11.464 -13.428
  466    HE2  HIS  62           HE2      HIS  62 -10.877 -11.540 -12.461
  467    H    HIS  63           H        HIS  63 -11.210  -4.871 -10.637
  468    HA   HIS  63           HA       HIS  63 -13.405  -4.362 -10.552
  469   1HB   HIS  63          2HB       HIS  63 -13.138  -4.286 -13.072
  470   2HB   HIS  63          1HB       HIS  63 -13.819  -5.908 -13.112
  471    HD1  HIS  63           HD1      HIS  63 -14.734  -2.342 -12.340
  472    HD2  HIS  63           HD2      HIS  63 -16.579  -6.035 -12.809
  473    HE1  HIS  63           HE1      HIS  63 -17.193  -1.862 -12.393
  474    HE2  HIS  63           HE2      HIS  63 -18.297  -4.111 -12.619
  475    H    HIS  64           H        HIS  64 -12.426  -7.635 -10.630
  476    HA   HIS  64           HA       HIS  64 -14.778  -8.376  -9.036
  477   1HB   HIS  64          2HB       HIS  64 -13.681 -10.099 -11.279
  478   2HB   HIS  64          1HB       HIS  64 -14.961 -10.558 -10.163
  479    HD1  HIS  64           HD1      HIS  64 -17.224  -9.127 -10.381
  480    HD2  HIS  64           HD2      HIS  64 -14.531  -8.802 -13.527
  481    HE1  HIS  64           HE1      HIS  64 -18.540  -8.184 -12.297
  482    HE2  HIS  64           HE2      HIS  64 -16.948  -8.230 -14.244
  483    H    HIS  65           H        HIS  65 -14.389 -10.571  -7.938
  484    HA   HIS  65           HA       HIS  65 -11.565 -10.781  -7.090
  485   1HB   HIS  65          2HB       HIS  65 -14.112 -11.709  -5.730
  486   2HB   HIS  65          1HB       HIS  65 -12.493 -12.031  -5.121
  487    HD1  HIS  65           HD1      HIS  65 -12.624 -10.701  -3.005
  488    HD2  HIS  65           HD2      HIS  65 -13.684  -8.468  -6.337
  489    HE1  HIS  65           HE1      HIS  65 -12.841  -8.346  -2.182
  490    HE2  HIS  65           HE2      HIS  65 -13.734  -7.078  -4.161
  491    H    HIS  66           H        HIS  66 -10.549 -12.847  -6.989
  492    HA   HIS  66           HA       HIS  66 -11.637 -14.967  -8.628
  493   1HB   HIS  66          2HB       HIS  66  -9.257 -14.984  -6.745
  494   2HB   HIS  66          1HB       HIS  66  -9.653 -16.250  -7.902
  495    HD1  HIS  66           HD1      HIS  66  -7.446 -13.546  -7.557
  496    HD2  HIS  66           HD2      HIS  66  -9.796 -14.945 -10.681
  497    HE1  HIS  66           HE1      HIS  66  -6.426 -12.593  -9.640
  498    HE2  HIS  66           HE2      HIS  66  -7.771 -13.577 -11.523
  499    H    HIS  67           H        HIS  67 -11.249 -14.263  -5.212
  500    HA   HIS  67           HA       HIS  67 -13.325 -16.269  -4.600
  501   1HB   HIS  67          2HB       HIS  67 -11.161 -17.029  -3.695
  502   2HB   HIS  67          1HB       HIS  67 -10.980 -15.505  -2.831
  503    HD1  HIS  67           HD1      HIS  67 -12.893 -15.060  -0.945
  504    HD2  HIS  67           HD2      HIS  67 -12.481 -18.964  -2.306
  505    HE1  HIS  67           HE1      HIS  67 -14.029 -16.493   0.772
  506    HE2  HIS  67           HE2      HIS  67 -13.950 -18.816  -0.184
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -3.939  20.963   7.851
    2   2H    MET   1          2H        MET   1  -2.533  20.690   8.747
    3   3H    MET   1          3H        MET   1  -3.862  21.436   9.472
    4    HA   MET   1           HA       MET   1  -3.709  19.158  10.194
    5   1HB   MET   1          2HB       MET   1  -6.008  19.652   8.282
    6   2HB   MET   1          1HB       MET   1  -5.979  18.386   9.501
    7   1HG   MET   1          2HG       MET   1  -5.818  20.113  11.254
    8   2HG   MET   1          1HG       MET   1  -5.918  21.360  10.010
    9   1HE   MET   1          1HE       MET   1  -8.078  21.786   8.508
   10   2HE   MET   1          2HE       MET   1  -9.528  20.785   8.587
   11   3HE   MET   1          3HE       MET   1  -8.020  20.102   7.983
   12    H    THR   2           H        THR   2  -4.395  19.237   6.679
   13    HA   THR   2           HA       THR   2  -3.360  16.503   6.408
   14    HB   THR   2           HB       THR   2  -4.220  16.620   4.085
   15    HG1  THR   2           HG1      THR   2  -5.747  18.811   4.271
   16   1HG2  THR   2          1HG2      THR   2  -6.257  17.458   6.164
   17   2HG2  THR   2          2HG2      THR   2  -5.707  15.809   5.867
   18   3HG2  THR   2          3HG2      THR   2  -6.616  16.672   4.627
   19    H    ILE   3           H        ILE   3  -1.805  15.971   4.745
   20    HA   ILE   3           HA       ILE   3   0.301  17.889   4.374
   21    HB   ILE   3           HB       ILE   3   1.382  16.157   2.987
   22   1HG1  ILE   3          2HG1      ILE   3  -1.152  14.554   3.478
   23   2HG1  ILE   3          1HG1      ILE   3  -0.663  15.235   1.930
   24   1HG2  ILE   3          1HG2      ILE   3   0.230  15.126   5.582
   25   2HG2  ILE   3          2HG2      ILE   3   1.686  16.105   5.396
   26   3HG2  ILE   3          3HG2      ILE   3   1.639  14.463   4.753
   27   1HD1  ILE   3          1HD1      ILE   3   1.321  13.797   1.939
   28   2HD1  ILE   3          2HD1      ILE   3  -0.178  12.870   2.017
   29   3HD1  ILE   3          3HD1      ILE   3   0.793  13.099   3.471
   30    H    GLN   4           H        GLN   4  -2.572  17.997   3.071
   31    HA   GLN   4           HA       GLN   4  -3.617  18.689   1.209
   32   1HB   GLN   4          2HB       GLN   4  -2.818  20.720   0.262
   33   2HB   GLN   4          1HB       GLN   4  -2.329  20.720   1.948
   34   1HG   GLN   4          2HG       GLN   4  -0.053  20.043   1.258
   35   2HG   GLN   4          1HG       GLN   4  -0.568  20.123  -0.426
   36   1HE2  GLN   4          1HE2      GLN   4   0.240  21.950   2.404
   37   2HE2  GLN   4          2HE2      GLN   4   0.335  23.487   1.627
   38    H    ALA   5           H        ALA   5  -1.697  16.355   0.836
   39    HA   ALA   5           HA       ALA   5  -1.705  16.413  -2.113
   40   1HB   ALA   5          1HB       ALA   5   0.597  16.723  -1.294
   41   2HB   ALA   5          2HB       ALA   5   0.403  15.211  -2.181
   42   3HB   ALA   5          3HB       ALA   5   0.478  15.196  -0.418
   43    HA   PRO   6           HA       PRO   6  -3.911  12.585  -0.927
   44   1HB   PRO   6          2HB       PRO   6  -5.949  12.788  -2.634
   45   2HB   PRO   6          1HB       PRO   6  -5.857  13.836  -1.212
   46   1HG   PRO   6          2HG       PRO   6  -5.205  14.453  -4.069
   47   2HG   PRO   6          1HG       PRO   6  -6.018  15.466  -2.864
   48   1HD   PRO   6          2HD       PRO   6  -3.312  15.615  -3.559
   49   2HD   PRO   6          1HD       PRO   6  -4.039  16.292  -2.088
   50    H    GLU   7           H        GLU   7  -1.594  12.762  -2.780
   51    HA   GLU   7           HA       GLU   7  -2.180  11.535  -5.264
   52   1HB   GLU   7          2HB       GLU   7  -0.127  12.803  -4.889
   53   2HB   GLU   7          1HB       GLU   7   0.410  11.616  -3.708
   54   1HG   GLU   7          2HG       GLU   7   0.461   9.905  -5.491
   55   2HG   GLU   7          1HG       GLU   7   0.008  11.145  -6.657
   56    H    THR   8           H        THR   8  -2.959   9.538  -5.546
   57    HA   THR   8           HA       THR   8  -2.369   7.402  -3.641
   58    HB   THR   8           HB       THR   8  -4.085   6.131  -4.920
   59    HG1  THR   8           HG1      THR   8  -3.811   7.252  -6.936
   60   1HG2  THR   8          1HG2      THR   8  -4.758   7.418  -2.959
   61   2HG2  THR   8          2HG2      THR   8  -6.024   7.455  -4.183
   62   3HG2  THR   8          3HG2      THR   8  -4.975   8.855  -3.962
   63    H    LYS   9           H        LYS   9  -0.640   6.147  -4.037
   64    HA   LYS   9           HA       LYS   9   0.245   5.707  -6.803
   65   1HB   LYS   9          2HB       LYS   9   1.650   5.090  -4.188
   66   2HB   LYS   9          1HB       LYS   9   2.328   4.852  -5.795
   67   1HG   LYS   9          2HG       LYS   9   2.336   7.212  -6.215
   68   2HG   LYS   9          1HG       LYS   9   1.454   7.523  -4.719
   69   1HD   LYS   9          2HD       LYS   9   3.373   6.620  -3.437
   70   2HD   LYS   9          1HD       LYS   9   4.247   6.384  -4.950
   71   1HE   LYS   9          2HE       LYS   9   3.270   9.047  -3.909
   72   2HE   LYS   9          1HE       LYS   9   4.918   8.442  -3.753
   73   1HZ   LYS   9          1HZ       LYS   9   3.489   9.110  -6.266
   74   2HZ   LYS   9          2HZ       LYS   9   4.993   8.341  -6.211
   75   3HZ   LYS   9          3HZ       LYS   9   4.823   9.905  -5.603
   76    H    ILE  10           H        ILE  10  -0.932   4.078  -7.643
   77    HA   ILE  10           HA       ILE  10  -1.773   1.816  -6.038
   78    HB   ILE  10           HB       ILE  10  -2.157   2.316  -8.999
   79   1HG1  ILE  10          2HG1      ILE  10  -4.023   2.814  -6.656
   80   2HG1  ILE  10          1HG1      ILE  10  -3.214   4.056  -7.608
   81   1HG2  ILE  10          1HG2      ILE  10  -2.356  -0.053  -8.408
   82   2HG2  ILE  10          2HG2      ILE  10  -3.918   0.624  -8.868
   83   3HG2  ILE  10          3HG2      ILE  10  -3.542   0.353  -7.166
   84   1HD1  ILE  10          1HD1      ILE  10  -5.524   3.853  -8.271
   85   2HD1  ILE  10          2HD1      ILE  10  -5.314   2.132  -8.592
   86   3HD1  ILE  10          3HD1      ILE  10  -4.478   3.326  -9.587
   87    H    VAL  11           H        VAL  11  -0.158   0.433  -5.527
   88    HA   VAL  11           HA       VAL  11   1.727  -0.427  -7.632
   89    HB   VAL  11           HB       VAL  11   3.225  -1.127  -5.797
   90   1HG1  VAL  11          1HG1      VAL  11   3.455   1.116  -6.759
   91   2HG1  VAL  11          2HG1      VAL  11   3.874   1.112  -5.047
   92   3HG1  VAL  11          3HG1      VAL  11   2.314   1.749  -5.568
   93   1HG2  VAL  11          1HG2      VAL  11   1.518  -1.607  -4.099
   94   2HG2  VAL  11          2HG2      VAL  11   1.159   0.115  -3.969
   95   3HG2  VAL  11          3HG2      VAL  11   2.739  -0.494  -3.482
   96    H    ASP  12           H        ASP  12   2.412  -2.655  -7.673
   97    HA   ASP  12           HA       ASP  12   0.237  -4.524  -7.009
   98   1HB   ASP  12          2HB       ASP  12   0.981  -4.326  -9.371
   99   2HB   ASP  12          1HB       ASP  12   2.603  -4.804  -8.891
  100    H    LYS  13           H        LYS  13   2.248  -3.530  -5.058
  101    HA   LYS  13           HA       LYS  13   3.318  -6.092  -4.126
  102   1HB   LYS  13          2HB       LYS  13   5.114  -5.116  -5.466
  103   2HB   LYS  13          1HB       LYS  13   4.997  -3.609  -4.566
  104   1HG   LYS  13          2HG       LYS  13   5.772  -4.732  -2.547
  105   2HG   LYS  13          1HG       LYS  13   5.830  -6.270  -3.412
  106   1HD   LYS  13          2HD       LYS  13   8.058  -5.247  -3.239
  107   2HD   LYS  13          1HD       LYS  13   7.536  -5.383  -4.919
  108   1HE   LYS  13          2HE       LYS  13   6.830  -3.000  -4.843
  109   2HE   LYS  13          1HE       LYS  13   7.466  -2.892  -3.202
  110   1HZ   LYS  13          1HZ       LYS  13   9.660  -3.448  -4.077
  111   2HZ   LYS  13          2HZ       LYS  13   9.051  -2.044  -4.790
  112   3HZ   LYS  13          3HZ       LYS  13   9.034  -3.502  -5.648
  113    H    SER  14           H        SER  14   3.125  -6.312  -1.941
  114    HA   SER  14           HA       SER  14   1.873  -4.177  -0.442
  115   1HB   SER  14          2HB       SER  14   2.782  -6.856   0.632
  116   2HB   SER  14          1HB       SER  14   1.559  -5.786   1.309
  117    HG   SER  14           HG       SER  14   0.443  -7.327   0.205
  118    H    ARG  15           H        ARG  15   5.076  -5.506  -0.698
  119    HA   ARG  15           HA       ARG  15   5.991  -4.017   1.674
  120   1HB   ARG  15          2HB       ARG  15   7.529  -6.004  -0.025
  121   2HB   ARG  15          1HB       ARG  15   8.012  -5.356   1.542
  122   1HG   ARG  15          2HG       ARG  15   6.223  -6.508   2.644
  123   2HG   ARG  15          1HG       ARG  15   5.535  -7.005   1.103
  124   1HD   ARG  15          2HD       ARG  15   7.660  -8.300   0.687
  125   2HD   ARG  15          1HD       ARG  15   8.121  -7.944   2.354
  126    HE   ARG  15           HE       ARG  15   5.547  -9.054   2.333
  127   1HH1  ARG  15          1HH1      ARG  15   8.836  -9.999   1.867
  128   2HH1  ARG  15          2HH1      ARG  15   8.508 -11.654   2.246
  129   1HH2  ARG  15          1HH2      ARG  15   5.162 -11.164   2.812
  130   2HH2  ARG  15          2HH2      ARG  15   6.465 -12.305   2.774
  131    H    VAL  16           H        VAL  16   6.129  -1.933   0.970
  132    HA   VAL  16           HA       VAL  16   7.490  -1.392  -1.599
  133    HB   VAL  16           HB       VAL  16   5.580   0.416  -0.098
  134   1HG1  VAL  16          1HG1      VAL  16   5.530   1.724  -2.180
  135   2HG1  VAL  16          2HG1      VAL  16   6.738   0.650  -2.884
  136   3HG1  VAL  16          3HG1      VAL  16   7.154   1.656  -1.496
  137   1HG2  VAL  16          1HG2      VAL  16   3.956  -0.148  -1.866
  138   2HG2  VAL  16          2HG2      VAL  16   4.403  -1.550  -0.894
  139   3HG2  VAL  16          3HG2      VAL  16   5.087  -1.341  -2.506
  140    H    ALA  17           H        ALA  17   9.512  -0.653  -1.426
  141    HA   ALA  17           HA       ALA  17  10.431   0.724   0.956
  142   1HB   ALA  17          1HB       ALA  17  12.620   0.708  -0.116
  143   2HB   ALA  17          2HB       ALA  17  11.897   0.140  -1.621
  144   3HB   ALA  17          3HB       ALA  17  11.883  -0.894  -0.193
  145    H    CYS  18           H        CYS  18   9.645   2.778   1.126
  146    HA   CYS  18           HA       CYS  18   9.036   4.414  -1.142
  147   1HB   CYS  18          2HB       CYS  18   8.454   6.141   0.502
  148   2HB   CYS  18          1HB       CYS  18   7.758   4.589   0.952
  149    HG   CYS  18           HG       CYS  18  10.617   5.849   2.334
  150    H    ASP  19           H        ASP  19  10.473   5.471  -2.337
  151    HA   ASP  19           HA       ASP  19  13.051   6.274  -1.240
  152   1HB   ASP  19          2HB       ASP  19  11.905   6.352  -4.037
  153   2HB   ASP  19          1HB       ASP  19  13.474   7.039  -3.624
  154    H    GLY  20           H        GLY  20  10.871   8.062  -3.439
  155   1HA   GLY  20          2HA       GLY  20  10.204  10.168  -1.755
  156   2HA   GLY  20          1HA       GLY  20  11.759  10.581  -2.457
  157    H    GLY  21           H        GLY  21  10.495  12.418  -3.303
  158   1HA   GLY  21          2HA       GLY  21   9.447  11.765  -5.967
  159   2HA   GLY  21          1HA       GLY  21   8.414  12.679  -4.878
  160    H    GLU  22           H        GLU  22   8.968  14.811  -4.328
  161    HA   GLU  22           HA       GLU  22  10.448  16.280  -6.284
  162   1HB   GLU  22          2HB       GLU  22   9.338  17.144  -3.597
  163   2HB   GLU  22          1HB       GLU  22   9.963  18.234  -4.829
  164   1HG   GLU  22          2HG       GLU  22   8.201  17.591  -6.355
  165   2HG   GLU  22          1HG       GLU  22   7.613  16.384  -5.212
  166    H    GLY  23           H        GLY  23  12.206  17.835  -5.676
  167   1HA   GLY  23          2HA       GLY  23  14.543  16.593  -5.064
  168   2HA   GLY  23          1HA       GLY  23  14.298  18.312  -4.840
  169    H    ALA  24           H        ALA  24  12.733  18.546  -2.674
  170    HA   ALA  24           HA       ALA  24  14.540  17.853  -0.539
  171   1HB   ALA  24          1HB       ALA  24  11.861  19.245  -0.406
  172   2HB   ALA  24          2HB       ALA  24  13.417  20.039  -0.646
  173   3HB   ALA  24          3HB       ALA  24  13.080  19.200   0.868
  174    H    LEU  25           H        LEU  25  11.968  16.178  -1.939
  175    HA   LEU  25           HA       LEU  25  11.093  14.938   0.576
  176   1HB   LEU  25          2HB       LEU  25   9.918  14.714  -2.193
  177   2HB   LEU  25          1HB       LEU  25   9.253  13.987  -0.738
  178    HG   LEU  25           HG       LEU  25   9.471  16.942  -1.353
  179   1HD1  LEU  25          1HD1      LEU  25   7.640  15.815  -2.488
  180   2HD1  LEU  25          2HD1      LEU  25   7.036  16.896  -1.234
  181   3HD1  LEU  25          3HD1      LEU  25   7.073  15.156  -0.952
  182   1HD2  LEU  25          1HD2      LEU  25   8.510  15.600   1.180
  183   2HD2  LEU  25          2HD2      LEU  25   8.357  17.318   0.809
  184   3HD2  LEU  25          3HD2      LEU  25   9.954  16.597   1.006
  185    H    GLY  26           H        GLY  26  13.655  14.345  -1.059
  186   1HA   GLY  26          2HA       GLY  26  13.360  11.554  -1.749
  187   2HA   GLY  26          1HA       GLY  26  14.862  12.461  -1.689
  188    H    HIS  27           H        HIS  27  13.877   9.763  -0.563
  189    HA   HIS  27           HA       HIS  27  14.958  10.160   2.158
  190   1HB   HIS  27          2HB       HIS  27  12.831   8.131   1.420
  191   2HB   HIS  27          1HB       HIS  27  13.431   8.500   3.035
  192    HD1  HIS  27           HD1      HIS  27  10.802   9.379   0.691
  193    HD2  HIS  27           HD2      HIS  27  12.716  11.237   3.878
  194    HE1  HIS  27           HE1      HIS  27   9.331  11.298   1.329
  195    HE2  HIS  27           HE2      HIS  27  10.405  12.283   3.369
  196    HA   PRO  28           HA       PRO  28  18.172   7.381   1.098
  197   1HB   PRO  28          2HB       PRO  28  17.853   6.157   3.794
  198   2HB   PRO  28          1HB       PRO  28  19.279   6.886   3.049
  199   1HG   PRO  28          2HG       PRO  28  17.937   8.183   4.943
  200   2HG   PRO  28          1HG       PRO  28  18.591   9.055   3.542
  201   1HD   PRO  28          2HD       PRO  28  15.772   8.191   4.093
  202   2HD   PRO  28          1HD       PRO  28  16.366   9.708   3.386
  203    H    ARG  29           H        ARG  29  15.782   5.580   3.068
  204    HA   ARG  29           HA       ARG  29  15.151   3.584   1.294
  205   1HB   ARG  29          2HB       ARG  29  17.562   3.078   1.271
  206   2HB   ARG  29          1HB       ARG  29  17.530   2.822   3.005
  207   1HG   ARG  29          2HG       ARG  29  15.700   1.193   1.316
  208   2HG   ARG  29          1HG       ARG  29  17.416   0.829   1.274
  209   1HD   ARG  29          2HD       ARG  29  17.166   0.910   3.897
  210   2HD   ARG  29          1HD       ARG  29  15.477   0.586   3.521
  211    HE   ARG  29           HE       ARG  29  16.997  -1.244   2.089
  212   1HH1  ARG  29          1HH1      ARG  29  16.325  -0.508   5.395
  213   2HH1  ARG  29          2HH1      ARG  29  16.677  -2.114   5.923
  214   1HH2  ARG  29          1HH2      ARG  29  17.416  -3.293   2.792
  215   2HH2  ARG  29          2HH2      ARG  29  17.289  -3.665   4.477
  216    H    VAL  30           H        VAL  30  13.284   3.776   2.313
  217    HA   VAL  30           HA       VAL  30  13.025   2.628   5.029
  218    HB   VAL  30           HB       VAL  30  11.262   4.778   3.815
  219   1HG1  VAL  30          1HG1      VAL  30  10.029   3.329   5.338
  220   2HG1  VAL  30          2HG1      VAL  30  10.255   4.928   6.051
  221   3HG1  VAL  30          3HG1      VAL  30  11.253   3.573   6.586
  222   1HG2  VAL  30          1HG2      VAL  30  12.246   6.289   5.479
  223   2HG2  VAL  30          2HG2      VAL  30  13.470   5.660   4.373
  224   3HG2  VAL  30          3HG2      VAL  30  13.332   5.001   6.004
  225    H    TRP  31           H        TRP  31  11.576   0.950   5.250
  226    HA   TRP  31           HA       TRP  31  10.102   0.157   2.817
  227   1HB   TRP  31          2HB       TRP  31  11.382  -1.494   4.997
  228   2HB   TRP  31          1HB       TRP  31  10.205  -2.177   3.877
  229    HD1  TRP  31           HD1      TRP  31  13.592  -0.263   3.634
  230    HE1  TRP  31           HE1      TRP  31  14.882  -1.202   1.614
  231    HE3  TRP  31           HE3      TRP  31  10.119  -3.613   1.955
  232    HZ2  TRP  31           HZ2      TRP  31  14.479  -3.131  -0.416
  233    HZ3  TRP  31           HZ3      TRP  31  10.644  -4.970  -0.031
  234    HH2  TRP  31           HH2      TRP  31  12.783  -4.731  -1.192
  235    H    LEU  32           H        LEU  32   7.971   0.345   2.892
  236    HA   LEU  32           HA       LEU  32   6.575   0.295   5.476
  237   1HB   LEU  32          2HB       LEU  32   5.759   1.281   2.746
  238   2HB   LEU  32          1HB       LEU  32   4.609   1.100   4.057
  239    HG   LEU  32           HG       LEU  32   5.982   2.719   5.401
  240   1HD1  LEU  32          1HD1      LEU  32   7.581   4.153   4.224
  241   2HD1  LEU  32          2HD1      LEU  32   7.429   3.142   2.786
  242   3HD1  LEU  32          3HD1      LEU  32   8.118   2.473   4.264
  243   1HD2  LEU  32          1HD2      LEU  32   5.171   4.703   4.225
  244   2HD2  LEU  32          2HD2      LEU  32   3.962   3.420   4.218
  245   3HD2  LEU  32          3HD2      LEU  32   4.910   3.743   2.767
  246    H    GLN  33           H        GLN  33   4.433  -0.777   5.536
  247    HA   GLN  33           HA       GLN  33   4.281  -3.214   3.859
  248   1HB   GLN  33          2HB       GLN  33   5.293  -3.699   6.086
  249   2HB   GLN  33          1HB       GLN  33   3.848  -3.068   6.859
  250   1HG   GLN  33          2HG       GLN  33   3.801  -5.481   6.847
  251   2HG   GLN  33          1HG       GLN  33   2.523  -4.852   5.809
  252   1HE2  GLN  33          1HE2      GLN  33   2.404  -6.780   4.662
  253   2HE2  GLN  33          2HE2      GLN  33   3.621  -7.260   3.539
  254    H    ILE  34           H        ILE  34   2.413  -3.104   2.761
  255    HA   ILE  34           HA       ILE  34   0.223  -1.453   3.524
  256    HB   ILE  34           HB       ILE  34   0.383  -3.614   1.412
  257   1HG1  ILE  34          2HG1      ILE  34   0.595  -0.593   1.236
  258   2HG1  ILE  34          1HG1      ILE  34   1.924  -1.732   1.046
  259   1HG2  ILE  34          1HG2      ILE  34  -1.648  -2.658   0.468
  260   2HG2  ILE  34          2HG2      ILE  34  -1.734  -1.492   1.787
  261   3HG2  ILE  34          3HG2      ILE  34  -1.939  -3.211   2.117
  262   1HD1  ILE  34          1HD1      ILE  34   0.806  -2.642  -0.956
  263   2HD1  ILE  34          2HD1      ILE  34   1.208  -0.932  -1.103
  264   3HD1  ILE  34          3HD1      ILE  34  -0.454  -1.418  -0.776
  265    HA   PRO  35           HA       PRO  35  -1.676  -4.502   6.236
  266   1HB   PRO  35          2HB       PRO  35  -3.529  -2.924   7.328
  267   2HB   PRO  35          1HB       PRO  35  -1.809  -2.659   7.655
  268   1HG   PRO  35          2HG       PRO  35  -3.596  -1.251   5.690
  269   2HG   PRO  35          1HG       PRO  35  -2.467  -0.542   6.858
  270   1HD   PRO  35          2HD       PRO  35  -1.846  -0.937   4.218
  271   2HD   PRO  35          1HD       PRO  35  -0.629  -0.950   5.511
  272    H    GLU  36           H        GLU  36  -3.093  -6.056   5.674
  273    HA   GLU  36           HA       GLU  36  -4.959  -5.922   3.589
  274   1HB   GLU  36          2HB       GLU  36  -4.606  -7.781   5.922
  275   2HB   GLU  36          1HB       GLU  36  -5.977  -7.973   4.839
  276   1HG   GLU  36          2HG       GLU  36  -3.091  -7.986   3.966
  277   2HG   GLU  36          1HG       GLU  36  -4.046  -9.431   4.299
  278    H    ASP  37           H        ASP  37  -5.215  -4.716   6.795
  279    HA   ASP  37           HA       ASP  37  -8.024  -4.884   7.151
  280   1HB   ASP  37          2HB       ASP  37  -6.233  -2.751   8.325
  281   2HB   ASP  37          1HB       ASP  37  -7.715  -3.420   9.006
  282    H    THR  38           H        THR  38  -5.943  -2.490   5.611
  283    HA   THR  38           HA       THR  38  -8.283  -0.794   4.982
  284    HB   THR  38           HB       THR  38  -6.733   1.038   4.602
  285    HG1  THR  38           HG1      THR  38  -4.489   0.728   4.820
  286   1HG2  THR  38          1HG2      THR  38  -5.763   1.310   6.838
  287   2HG2  THR  38          2HG2      THR  38  -6.022  -0.402   7.166
  288   3HG2  THR  38          3HG2      THR  38  -7.404   0.672   6.935
  289    H    GLY  39           H        GLY  39  -5.284  -2.090   3.533
  290   1HA   GLY  39          2HA       GLY  39  -5.204  -2.975   1.296
  291   2HA   GLY  39          1HA       GLY  39  -6.558  -1.940   0.871
  292    H    TRP  40           H        TRP  40  -4.526  -0.135   2.742
  293    HA   TRP  40           HA       TRP  40  -2.622   0.660   0.702
  294   1HB   TRP  40          2HB       TRP  40  -3.399   3.046   0.714
  295   2HB   TRP  40          1HB       TRP  40  -4.534   1.935  -0.045
  296    HD1  TRP  40           HD1      TRP  40  -6.919   1.684   1.045
  297    HE1  TRP  40           HE1      TRP  40  -8.157   2.949   2.915
  298    HE3  TRP  40           HE3      TRP  40  -2.976   4.271   3.032
  299    HZ2  TRP  40           HZ2      TRP  40  -7.548   4.791   4.956
  300    HZ3  TRP  40           HZ3      TRP  40  -3.393   5.762   4.946
  301    HH2  TRP  40           HH2      TRP  40  -5.631   6.016   5.885
  302    H    VAL  41           H        VAL  41  -1.051   2.279   1.509
  303    HA   VAL  41           HA       VAL  41  -1.169   2.857   4.382
  304    HB   VAL  41           HB       VAL  41   0.115   0.754   4.228
  305   1HG1  VAL  41          1HG1      VAL  41   2.294   0.674   3.129
  306   2HG1  VAL  41          2HG1      VAL  41   2.071   2.320   2.534
  307   3HG1  VAL  41          3HG1      VAL  41   1.018   1.026   1.965
  308   1HG2  VAL  41          1HG2      VAL  41   1.805   3.150   4.971
  309   2HG2  VAL  41          2HG2      VAL  41   2.098   1.490   5.487
  310   3HG2  VAL  41          3HG2      VAL  41   0.640   2.331   6.015
  311    H    GLU  42           H        GLU  42  -0.573   4.917   4.779
  312    HA   GLU  42           HA       GLU  42   0.679   6.419   2.587
  313   1HB   GLU  42          2HB       GLU  42  -0.174   8.441   3.872
  314   2HB   GLU  42          1HB       GLU  42  -1.386   7.397   3.153
  315   1HG   GLU  42          2HG       GLU  42  -2.319   7.775   5.204
  316   2HG   GLU  42          1HG       GLU  42  -1.433   6.286   5.521
  317    H    CYS  43           H        CYS  43   2.452   7.768   2.888
  318    HA   CYS  43           HA       CYS  43   4.072   7.112   5.255
  319   1HB   CYS  43          2HB       CYS  43   5.129   6.549   3.144
  320   2HB   CYS  43          1HB       CYS  43   4.909   8.196   2.563
  321    HG   CYS  43           HG       CYS  43   7.600   7.883   3.164
  322    HA   PRO  44           HA       PRO  44   3.319  11.326   6.674
  323   1HB   PRO  44          2HB       PRO  44   4.960  11.154   8.862
  324   2HB   PRO  44          1HB       PRO  44   3.315  10.510   8.817
  325   1HG   PRO  44          2HG       PRO  44   5.918   9.074   8.421
  326   2HG   PRO  44          1HG       PRO  44   4.500   8.581   9.368
  327   1HD   PRO  44          2HD       PRO  44   4.980   7.583   6.916
  328   2HD   PRO  44          1HD       PRO  44   3.327   7.891   7.488
  329    H    TYR  45           H        TYR  45   6.265   9.914   5.608
  330    HA   TYR  45           HA       TYR  45   7.895  12.286   5.943
  331   1HB   TYR  45          2HB       TYR  45   8.414   9.712   4.424
  332   2HB   TYR  45          1HB       TYR  45   9.596  10.993   4.668
  333    HD1  TYR  45           HD2      TYR  45   7.747   8.258   6.280
  334    HD2  TYR  45           HD1      TYR  45  10.648  11.327   6.828
  335    HE1  TYR  45           HE2      TYR  45   8.423   7.230   8.405
  336    HE2  TYR  45           HE1      TYR  45  11.335  10.304   8.954
  337    HH   TYR  45           HH       TYR  45  10.437   8.816  10.661
  338    H    CYS  46           H        CYS  46   5.391  11.772   3.998
  339    HA   CYS  46           HA       CYS  46   4.544  13.097   2.359
  340   1HB   CYS  46          2HB       CYS  46   7.352  14.170   2.062
  341   2HB   CYS  46          1HB       CYS  46   5.972  14.735   1.128
  342    HG   CYS  46           HG       CYS  46   5.129  16.441   2.845
  343    H    ASP  47           H        ASP  47   5.670  10.379   2.044
  344    HA   ASP  47           HA       ASP  47   6.092  10.339  -0.844
  345   1HB   ASP  47          2HB       ASP  47   5.992   8.083   1.171
  346   2HB   ASP  47          1HB       ASP  47   6.268   7.863  -0.554
  347    H    CYS  48           H        CYS  48   3.508  10.795   1.001
  348    HA   CYS  48           HA       CYS  48   1.287  10.813   0.591
  349   1HB   CYS  48          2HB       CYS  48   2.114   9.825  -2.150
  350   2HB   CYS  48          1HB       CYS  48   0.497  10.387  -1.734
  351    HG   CYS  48           HG       CYS  48   2.128  12.283  -3.227
  352    H    LYS  49           H        LYS  49  -0.333   9.007  -0.964
  353    HA   LYS  49           HA       LYS  49  -0.374   6.818   0.976
  354   1HB   LYS  49          2HB       LYS  49  -2.403   8.164   0.690
  355   2HB   LYS  49          1HB       LYS  49  -2.456   7.741  -1.015
  356   1HG   LYS  49          2HG       LYS  49  -2.774   5.375  -0.400
  357   2HG   LYS  49          1HG       LYS  49  -2.775   5.833   1.301
  358   1HD   LYS  49          2HD       LYS  49  -4.740   6.922  -0.723
  359   2HD   LYS  49          1HD       LYS  49  -5.052   5.493   0.259
  360   1HE   LYS  49          2HE       LYS  49  -6.109   7.323   1.346
  361   2HE   LYS  49          1HE       LYS  49  -4.679   6.922   2.293
  362   1HZ   LYS  49          1HZ       LYS  49  -3.529   8.792   1.332
  363   2HZ   LYS  49          2HZ       LYS  49  -4.987   9.317   1.997
  364   3HZ   LYS  49          3HZ       LYS  49  -4.842   9.138   0.324
  365    H    TYR  50           H        TYR  50   0.208   4.786   0.464
  366    HA   TYR  50           HA       TYR  50   0.599   4.061  -2.352
  367   1HB   TYR  50          2HB       TYR  50   1.518   2.757   0.219
  368   2HB   TYR  50          1HB       TYR  50   1.734   2.019  -1.363
  369    HD1  TYR  50           HD2      TYR  50   3.121   3.240  -3.089
  370    HD2  TYR  50           HD1      TYR  50   3.050   4.395   1.013
  371    HE1  TYR  50           HE2      TYR  50   5.222   4.474  -3.405
  372    HE2  TYR  50           HE1      TYR  50   5.150   5.635   0.700
  373    HH   TYR  50           HH       TYR  50   6.358   6.517  -2.206
  374    H    VAL  51           H        VAL  51  -1.234   3.326  -3.264
  375    HA   VAL  51           HA       VAL  51  -3.125   1.704  -1.730
  376    HB   VAL  51           HB       VAL  51  -3.303   2.770  -4.560
  377   1HG1  VAL  51          1HG1      VAL  51  -4.646   0.745  -4.295
  378   2HG1  VAL  51          2HG1      VAL  51  -5.676   2.169  -4.455
  379   3HG1  VAL  51          3HG1      VAL  51  -5.425   1.438  -2.870
  380   1HG2  VAL  51          1HG2      VAL  51  -4.906   4.381  -3.629
  381   2HG2  VAL  51          2HG2      VAL  51  -3.314   4.551  -2.888
  382   3HG2  VAL  51          3HG2      VAL  51  -4.613   3.738  -2.012
  383    H    LEU  52           H        LEU  52  -3.362  -0.471  -1.947
  384    HA   LEU  52           HA       LEU  52  -1.492  -1.894  -3.642
  385   1HB   LEU  52          2HB       LEU  52  -1.883  -2.588  -1.313
  386   2HB   LEU  52          1HB       LEU  52  -3.554  -2.945  -1.698
  387    HG   LEU  52           HG       LEU  52  -2.803  -4.721  -3.255
  388   1HD1  LEU  52          1HD1      LEU  52  -0.629  -3.816  -3.864
  389   2HD1  LEU  52          2HD1      LEU  52  -0.469  -5.452  -3.228
  390   3HD1  LEU  52          3HD1      LEU  52  -0.045  -4.069  -2.218
  391   1HD2  LEU  52          1HD2      LEU  52  -3.366  -5.285  -0.945
  392   2HD2  LEU  52          2HD2      LEU  52  -1.702  -4.976  -0.451
  393   3HD2  LEU  52          3HD2      LEU  52  -2.061  -6.309  -1.547
  394    H    LYS  53           H        LYS  53  -1.987  -2.213  -5.694
  395    HA   LYS  53           HA       LYS  53  -4.509  -2.213  -6.883
  396   1HB   LYS  53          2HB       LYS  53  -2.730  -1.863  -8.343
  397   2HB   LYS  53          1HB       LYS  53  -1.790  -3.193  -7.694
  398   1HG   LYS  53          2HG       LYS  53  -4.313  -3.780  -9.196
  399   2HG   LYS  53          1HG       LYS  53  -2.850  -3.344 -10.083
  400   1HD   LYS  53          2HD       LYS  53  -1.643  -5.171  -8.905
  401   2HD   LYS  53          1HD       LYS  53  -3.155  -5.634  -8.129
  402   1HE   LYS  53          2HE       LYS  53  -4.132  -6.091 -10.340
  403   2HE   LYS  53          1HE       LYS  53  -2.596  -5.658 -11.095
  404   1HZ   LYS  53          1HZ       LYS  53  -2.707  -8.018 -10.881
  405   2HZ   LYS  53          2HZ       LYS  53  -3.096  -7.921  -9.239
  406   3HZ   LYS  53          3HZ       LYS  53  -1.558  -7.457  -9.771
  407    H    GLY  54           H        GLY  54  -6.016  -3.765  -7.357
  408   1HA   GLY  54          2HA       GLY  54  -7.141  -5.777  -7.284
  409   2HA   GLY  54          1HA       GLY  54  -5.579  -6.573  -7.168
  410    H    SER  55           H        SER  55  -7.131  -4.263  -4.968
  411    HA   SER  55           HA       SER  55  -7.340  -6.315  -2.878
  412   1HB   SER  55          2HB       SER  55  -5.079  -5.346  -2.623
  413   2HB   SER  55          1HB       SER  55  -5.784  -3.736  -2.498
  414    HG   SER  55           HG       SER  55  -5.586  -5.730  -0.614
  415    H    LYS  56           H        LYS  56  -7.939  -4.715  -0.724
  416    HA   LYS  56           HA       LYS  56 -10.660  -4.155  -1.129
  417   1HB   LYS  56          2HB       LYS  56  -8.837  -3.233   1.106
  418   2HB   LYS  56          1HB       LYS  56 -10.597  -3.206   1.150
  419   1HG   LYS  56          2HG       LYS  56 -10.626  -5.648   0.906
  420   2HG   LYS  56          1HG       LYS  56  -8.864  -5.660   0.919
  421   1HD   LYS  56          2HD       LYS  56  -8.828  -4.778   3.173
  422   2HD   LYS  56          1HD       LYS  56 -10.584  -4.605   3.166
  423   1HE   LYS  56          2HE       LYS  56  -9.079  -7.214   2.939
  424   2HE   LYS  56          1HE       LYS  56  -9.855  -6.603   4.401
  425   1HZ   LYS  56          1HZ       LYS  56 -11.982  -6.691   3.269
  426   2HZ   LYS  56          2HZ       LYS  56 -11.250  -8.208   3.259
  427   3HZ   LYS  56          3HZ       LYS  56 -11.245  -7.261   1.858
  428    H    ALA  57           H        ALA  57  -7.869  -2.121  -1.483
  429    HA   ALA  57           HA       ALA  57  -9.470   0.329  -1.553
  430   1HB   ALA  57          1HB       ALA  57  -7.367   0.357  -0.315
  431   2HB   ALA  57          2HB       ALA  57  -7.334   1.504  -1.656
  432   3HB   ALA  57          3HB       ALA  57  -6.484  -0.037  -1.790
  433    H    ASP  58           H        ASP  58  -8.286  -1.976  -3.784
  434    HA   ASP  58           HA       ASP  58  -8.912  -0.191  -6.027
  435   1HB   ASP  58          2HB       ASP  58  -6.496  -0.024  -5.792
  436   2HB   ASP  58          1HB       ASP  58  -6.344  -1.778  -5.776
  437    H    ALA  59           H        ALA  59 -10.482  -1.195  -7.109
  438    HA   ALA  59           HA       ALA  59 -10.140  -4.038  -7.813
  439   1HB   ALA  59          1HB       ALA  59 -12.754  -2.765  -6.971
  440   2HB   ALA  59          2HB       ALA  59 -11.807  -3.910  -6.019
  441   3HB   ALA  59          3HB       ALA  59 -12.541  -4.425  -7.539
  442    H    LEU  60           H        LEU  60 -12.279  -1.255  -8.502
  443    HA   LEU  60           HA       LEU  60 -11.686  -1.602 -11.378
  444   1HB   LEU  60          2HB       LEU  60 -14.261  -0.643 -10.110
  445   2HB   LEU  60          1HB       LEU  60 -13.935  -0.652 -11.834
  446    HG   LEU  60           HG       LEU  60 -14.095  -3.101 -10.060
  447   1HD1  LEU  60          1HD1      LEU  60 -16.145  -3.602 -11.352
  448   2HD1  LEU  60          2HD1      LEU  60 -16.020  -2.019 -12.122
  449   3HD1  LEU  60          3HD1      LEU  60 -16.287  -2.136 -10.382
  450   1HD2  LEU  60          1HD2      LEU  60 -13.959  -4.375 -12.155
  451   2HD2  LEU  60          2HD2      LEU  60 -12.504  -3.416 -11.886
  452   3HD2  LEU  60          3HD2      LEU  60 -13.714  -2.876 -13.053
  453    H    GLU  61           H        GLU  61 -13.225   0.963  -9.380
  454    HA   GLU  61           HA       GLU  61 -12.756   3.189  -9.134
  455   1HB   GLU  61          2HB       GLU  61  -9.909   2.204  -9.480
  456   2HB   GLU  61          1HB       GLU  61 -10.384   3.730  -8.747
  457   1HG   GLU  61          2HG       GLU  61 -11.112   1.008  -7.677
  458   2HG   GLU  61          1HG       GLU  61  -9.760   1.986  -7.108
  459    H    HIS  62           H        HIS  62 -10.413   4.609 -10.318
  460    HA   HIS  62           HA       HIS  62 -11.306   4.816 -13.102
  461   1HB   HIS  62          2HB       HIS  62  -9.306   6.491 -11.556
  462   2HB   HIS  62          1HB       HIS  62  -9.856   6.812 -13.198
  463    HD1  HIS  62           HD1      HIS  62 -12.852   6.576 -12.953
  464    HD2  HIS  62           HD2      HIS  62 -10.502   8.414 -10.060
  465    HE1  HIS  62           HE1      HIS  62 -14.393   8.112 -11.714
  466    HE2  HIS  62           HE2      HIS  62 -12.902   9.384 -10.144
  467    H    HIS  63           H        HIS  63  -9.628   2.604 -11.816
  468    HA   HIS  63           HA       HIS  63  -6.986   2.685 -12.812
  469   1HB   HIS  63          2HB       HIS  63  -7.961   1.183 -10.987
  470   2HB   HIS  63          1HB       HIS  63  -8.626   0.192 -12.277
  471    HD1  HIS  63           HD1      HIS  63  -6.106  -0.111 -10.023
  472    HD2  HIS  63           HD2      HIS  63  -6.064  -0.233 -14.183
  473    HE1  HIS  63           HE1      HIS  63  -4.035  -1.391 -10.644
  474    HE2  HIS  63           HE2      HIS  63  -4.084  -1.544 -13.154
  475    H    HIS  64           H        HIS  64  -6.756   3.099 -14.970
  476    HA   HIS  64           HA       HIS  64  -8.376   1.549 -16.889
  477   1HB   HIS  64          2HB       HIS  64  -7.733   3.359 -18.522
  478   2HB   HIS  64          1HB       HIS  64  -8.729   3.898 -17.175
  479    HD1  HIS  64           HD1      HIS  64  -7.539   5.351 -15.338
  480    HD2  HIS  64           HD2      HIS  64  -5.229   4.563 -18.704
  481    HE1  HIS  64           HE1      HIS  64  -5.623   6.962 -15.228
  482    HE2  HIS  64           HE2      HIS  64  -4.160   6.373 -17.187
  483    H    HIS  65           H        HIS  65  -7.437   0.064 -18.150
  484    HA   HIS  65           HA       HIS  65  -4.578  -0.393 -17.984
  485   1HB   HIS  65          2HB       HIS  65  -5.018  -2.433 -19.256
  486   2HB   HIS  65          1HB       HIS  65  -6.172  -2.289 -17.938
  487    HD1  HIS  65           HD1      HIS  65  -5.995  -1.637 -21.682
  488    HD2  HIS  65           HD2      HIS  65  -8.784  -2.544 -18.731
  489    HE1  HIS  65           HE1      HIS  65  -8.163  -2.002 -22.893
  490    HE2  HIS  65           HE2      HIS  65  -9.859  -2.404 -21.084
  491    H    HIS  66           H        HIS  66  -5.408   2.050 -19.344
  492    HA   HIS  66           HA       HIS  66  -4.973   3.316 -21.158
  493   1HB   HIS  66          2HB       HIS  66  -2.727   2.524 -21.187
  494   2HB   HIS  66          1HB       HIS  66  -3.204   0.977 -21.877
  495    HD1  HIS  66           HD1      HIS  66  -2.455   0.848 -24.225
  496    HD2  HIS  66           HD2      HIS  66  -3.660   4.694 -23.224
  497    HE1  HIS  66           HE1      HIS  66  -2.240   2.188 -26.333
  498    HE2  HIS  66           HE2      HIS  66  -3.185   4.441 -25.750
  499    H    HIS  67           H        HIS  67  -6.396   3.809 -22.662
  500    HA   HIS  67           HA       HIS  67  -7.901   1.740 -24.033
  501   1HB   HIS  67          2HB       HIS  67  -9.100   3.745 -25.064
  502   2HB   HIS  67          1HB       HIS  67  -9.248   3.541 -23.324
  503    HD1  HIS  67           HD1      HIS  67  -7.106   5.541 -25.757
  504    HD2  HIS  67           HD2      HIS  67  -8.726   5.819 -21.943
  505    HE1  HIS  67           HE1      HIS  67  -6.535   7.841 -24.949
  506    HE2  HIS  67           HE2      HIS  67  -7.738   8.064 -22.762
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -9.497  24.899  -9.828
    2   2H    MET   1          2H        MET   1  -8.376  24.987 -11.090
    3   3H    MET   1          3H        MET   1  -9.472  26.250 -10.847
    4    HA   MET   1           HA       MET   1  -7.254  26.825 -10.066
    5   1HB   MET   1          2HB       MET   1  -9.413  26.540  -7.966
    6   2HB   MET   1          1HB       MET   1  -7.948  27.486  -7.730
    7   1HG   MET   1          2HG       MET   1 -10.070  27.972  -9.814
    8   2HG   MET   1          1HG       MET   1  -9.790  28.924  -8.355
    9   1HE   MET   1          1HE       MET   1  -9.967  30.263 -11.243
   10   2HE   MET   1          2HE       MET   1  -8.614  31.390 -11.155
   11   3HE   MET   1          3HE       MET   1  -9.662  31.165  -9.757
   12    H    THR   2           H        THR   2  -7.713  23.660  -9.778
   13    HA   THR   2           HA       THR   2  -6.101  23.215  -7.361
   14    HB   THR   2           HB       THR   2  -6.532  20.804  -7.772
   15    HG1  THR   2           HG1      THR   2  -8.262  20.440  -9.441
   16   1HG2  THR   2          1HG2      THR   2  -8.076  22.082  -6.360
   17   2HG2  THR   2          2HG2      THR   2  -8.932  20.833  -7.263
   18   3HG2  THR   2          3HG2      THR   2  -9.027  22.516  -7.780
   19    H    ILE   3           H        ILE   3  -3.983  22.599  -7.402
   20    HA   ILE   3           HA       ILE   3  -2.590  22.329  -9.921
   21    HB   ILE   3           HB       ILE   3  -0.556  22.109  -8.701
   22   1HG1  ILE   3          2HG1      ILE   3  -1.349  20.474  -6.980
   23   2HG1  ILE   3          1HG1      ILE   3  -0.363  21.764  -6.308
   24   1HG2  ILE   3          1HG2      ILE   3  -1.454  24.352  -8.777
   25   2HG2  ILE   3          2HG2      ILE   3  -0.590  24.103  -7.259
   26   3HG2  ILE   3          3HG2      ILE   3  -2.355  24.076  -7.285
   27   1HD1  ILE   3          1HD1      ILE   3  -3.350  21.474  -6.128
   28   2HD1  ILE   3          2HD1      ILE   3  -2.456  22.891  -5.579
   29   3HD1  ILE   3          3HD1      ILE   3  -2.175  21.323  -4.825
   30    H    GLN   4           H        GLN   4  -4.135  20.224  -7.708
   31    HA   GLN   4           HA       GLN   4  -4.591  18.019  -7.696
   32   1HB   GLN   4          2HB       GLN   4  -3.398  18.069 -10.473
   33   2HB   GLN   4          1HB       GLN   4  -4.235  16.689  -9.772
   34   1HG   GLN   4          2HG       GLN   4  -6.259  18.112  -9.524
   35   2HG   GLN   4          1HG       GLN   4  -5.408  19.401 -10.373
   36   1HE2  GLN   4          1HE2      GLN   4  -4.077  17.520 -12.193
   37   2HE2  GLN   4          2HE2      GLN   4  -5.291  17.010 -13.309
   38    H    ALA   5           H        ALA   5  -3.380  17.222  -6.077
   39    HA   ALA   5           HA       ALA   5  -0.688  16.187  -6.727
   40   1HB   ALA   5          1HB       ALA   5  -0.707  17.815  -4.900
   41   2HB   ALA   5          2HB       ALA   5  -0.231  16.216  -4.324
   42   3HB   ALA   5          3HB       ALA   5  -1.860  16.820  -4.017
   43    HA   PRO   6           HA       PRO   6  -3.205  12.355  -6.552
   44   1HB   PRO   6          2HB       PRO   6  -0.919  11.244  -8.051
   45   2HB   PRO   6          1HB       PRO   6  -2.631  11.278  -8.475
   46   1HG   PRO   6          2HG       PRO   6  -0.830  12.823  -9.743
   47   2HG   PRO   6          1HG       PRO   6  -2.490  13.370  -9.441
   48   1HD   PRO   6          2HD       PRO   6   0.028  14.059  -7.957
   49   2HD   PRO   6          1HD       PRO   6  -1.314  15.113  -8.448
   50    H    GLU   7           H        GLU   7  -2.734  12.289  -4.263
   51    HA   GLU   7           HA       GLU   7  -0.318  11.158  -3.281
   52   1HB   GLU   7          2HB       GLU   7  -1.440  11.054  -1.115
   53   2HB   GLU   7          1HB       GLU   7  -1.741  12.607  -1.885
   54   1HG   GLU   7          2HG       GLU   7  -3.943  11.769  -2.642
   55   2HG   GLU   7          1HG       GLU   7  -3.640  10.263  -1.780
   56    H    THR   8           H        THR   8  -3.124   9.893  -4.566
   57    HA   THR   8           HA       THR   8  -2.951   7.254  -3.354
   58    HB   THR   8           HB       THR   8  -4.771   8.206  -5.589
   59    HG1  THR   8           HG1      THR   8  -5.399   9.378  -3.872
   60   1HG2  THR   8          1HG2      THR   8  -4.973   5.799  -3.770
   61   2HG2  THR   8          2HG2      THR   8  -4.577   5.766  -5.487
   62   3HG2  THR   8          3HG2      THR   8  -6.174   6.292  -4.962
   63    H    LYS   9           H        LYS   9  -1.305   5.979  -4.072
   64    HA   LYS   9           HA       LYS   9  -0.747   5.941  -6.980
   65   1HB   LYS   9          2HB       LYS   9   1.246   5.603  -4.720
   66   2HB   LYS   9          1HB       LYS   9   1.617   5.599  -6.444
   67   1HG   LYS   9          2HG       LYS   9   0.958   7.914  -6.644
   68   2HG   LYS   9          1HG       LYS   9   0.407   7.936  -4.971
   69   1HD   LYS   9          2HD       LYS   9   2.772   7.454  -4.273
   70   2HD   LYS   9          1HD       LYS   9   3.249   7.653  -5.961
   71   1HE   LYS   9          2HE       LYS   9   1.976   9.741  -4.183
   72   2HE   LYS   9          1HE       LYS   9   3.647   9.712  -4.742
   73   1HZ   LYS   9          1HZ       LYS   9   2.771   9.889  -7.037
   74   2HZ   LYS   9          2HZ       LYS   9   2.423  11.237  -6.077
   75   3HZ   LYS   9          3HZ       LYS   9   1.216  10.105  -6.407
   76    H    ILE  10           H        ILE  10  -1.000   4.051  -7.927
   77    HA   ILE  10           HA       ILE  10  -1.791   1.756  -6.348
   78    HB   ILE  10           HB       ILE  10  -1.671   2.126  -9.351
   79   1HG1  ILE  10          2HG1      ILE  10  -3.270   3.649  -8.247
   80   2HG1  ILE  10          1HG1      ILE  10  -4.105   2.433  -9.209
   81   1HG2  ILE  10          1HG2      ILE  10  -1.555  -0.226  -8.784
   82   2HG2  ILE  10          2HG2      ILE  10  -3.144   0.151  -9.451
   83   3HG2  ILE  10          3HG2      ILE  10  -2.947  -0.067  -7.711
   84   1HD1  ILE  10          1HD1      ILE  10  -5.247   2.804  -7.113
   85   2HD1  ILE  10          2HD1      ILE  10  -3.780   2.424  -6.213
   86   3HD1  ILE  10          3HD1      ILE  10  -4.584   1.170  -7.159
   87    H    VAL  11           H        VAL  11  -0.463   0.171  -5.729
   88    HA   VAL  11           HA       VAL  11   1.840  -0.562  -7.432
   89    HB   VAL  11           HB       VAL  11   3.169  -1.053  -5.403
   90   1HG1  VAL  11          1HG1      VAL  11   3.465   1.095  -6.519
   91   2HG1  VAL  11          2HG1      VAL  11   3.674   1.267  -4.775
   92   3HG1  VAL  11          3HG1      VAL  11   2.176   1.800  -5.542
   93   1HG2  VAL  11          1HG2      VAL  11   1.354  -1.448  -3.823
   94   2HG2  VAL  11          2HG2      VAL  11   0.883   0.250  -3.913
   95   3HG2  VAL  11          3HG2      VAL  11   2.439  -0.197  -3.212
   96    H    ASP  12           H        ASP  12   2.414  -2.801  -7.430
   97    HA   ASP  12           HA       ASP  12   0.209  -4.575  -6.710
   98   1HB   ASP  12          2HB       ASP  12   1.332  -6.253  -8.069
   99   2HB   ASP  12          1HB       ASP  12   1.233  -4.737  -8.959
  100    H    LYS  13           H        LYS  13   3.207  -3.644  -5.378
  101    HA   LYS  13           HA       LYS  13   3.530  -6.140  -3.869
  102   1HB   LYS  13          2HB       LYS  13   5.306  -3.694  -4.042
  103   2HB   LYS  13          1HB       LYS  13   5.670  -5.130  -3.094
  104   1HG   LYS  13          2HG       LYS  13   5.704  -6.473  -5.153
  105   2HG   LYS  13          1HG       LYS  13   5.360  -5.019  -6.092
  106   1HD   LYS  13          2HD       LYS  13   7.465  -4.017  -5.289
  107   2HD   LYS  13          1HD       LYS  13   7.809  -5.491  -4.380
  108   1HE   LYS  13          2HE       LYS  13   7.813  -6.763  -6.500
  109   2HE   LYS  13          1HE       LYS  13   7.538  -5.264  -7.383
  110   1HZ   LYS  13          1HZ       LYS  13   9.904  -5.857  -5.691
  111   2HZ   LYS  13          2HZ       LYS  13   9.647  -4.433  -6.568
  112   3HZ   LYS  13          3HZ       LYS  13   9.868  -5.896  -7.378
  113    H    SER  14           H        SER  14   3.383  -6.276  -1.652
  114    HA   SER  14           HA       SER  14   1.754  -4.274  -0.341
  115   1HB   SER  14          2HB       SER  14   2.958  -6.794   0.836
  116   2HB   SER  14          1HB       SER  14   1.662  -5.824   1.532
  117    HG   SER  14           HG       SER  14   0.583  -7.388   0.511
  118    H    ARG  15           H        ARG  15   5.132  -5.069  -0.443
  119    HA   ARG  15           HA       ARG  15   5.605  -3.060   1.667
  120   1HB   ARG  15          2HB       ARG  15   7.820  -4.145   2.020
  121   2HB   ARG  15          1HB       ARG  15   6.443  -5.158   2.431
  122   1HG   ARG  15          2HG       ARG  15   6.702  -6.206   0.137
  123   2HG   ARG  15          1HG       ARG  15   8.255  -5.373   0.040
  124   1HD   ARG  15          2HD       ARG  15   8.479  -7.696   0.843
  125   2HD   ARG  15          1HD       ARG  15   9.033  -6.516   2.033
  126    HE   ARG  15           HE       ARG  15   6.306  -7.188   2.460
  127   1HH1  ARG  15          1HH1      ARG  15   9.485  -8.458   2.892
  128   2HH1  ARG  15          2HH1      ARG  15   9.023  -9.406   4.261
  129   1HH2  ARG  15          1HH2      ARG  15   5.740  -8.405   4.202
  130   2HH2  ARG  15          2HH2      ARG  15   6.925  -9.392   4.988
  131    H    VAL  16           H        VAL  16   6.404  -1.218   1.020
  132    HA   VAL  16           HA       VAL  16   7.771  -1.051  -1.601
  133    HB   VAL  16           HB       VAL  16   5.993   1.047  -0.321
  134   1HG1  VAL  16          1HG1      VAL  16   7.296   0.977  -3.049
  135   2HG1  VAL  16          2HG1      VAL  16   7.739   2.035  -1.710
  136   3HG1  VAL  16          3HG1      VAL  16   6.165   2.206  -2.483
  137   1HG2  VAL  16          1HG2      VAL  16   4.380   0.515  -2.092
  138   2HG2  VAL  16          2HG2      VAL  16   4.691  -0.887  -1.068
  139   3HG2  VAL  16          3HG2      VAL  16   5.432  -0.778  -2.666
  140    H    ALA  17           H        ALA  17   9.594   0.215  -1.775
  141    HA   ALA  17           HA       ALA  17  10.831   1.098   0.730
  142   1HB   ALA  17          1HB       ALA  17  12.132  -0.347  -0.755
  143   2HB   ALA  17          2HB       ALA  17  12.899   1.229  -0.559
  144   3HB   ALA  17          3HB       ALA  17  12.013   0.858  -2.039
  145    H    CYS  18           H        CYS  18  10.337   3.127   1.314
  146    HA   CYS  18           HA       CYS  18   9.923   5.219  -0.659
  147   1HB   CYS  18          2HB       CYS  18   9.862   5.298   2.366
  148   2HB   CYS  18          1HB       CYS  18   9.504   6.672   1.325
  149    HG   CYS  18           HG       CYS  18   7.320   5.274   0.083
  150    H    ASP  19           H        ASP  19  11.911   5.598  -1.627
  151    HA   ASP  19           HA       ASP  19  14.209   6.309  -0.014
  152   1HB   ASP  19          2HB       ASP  19  13.749   6.420  -3.010
  153   2HB   ASP  19          1HB       ASP  19  15.277   6.803  -2.220
  154    H    GLY  20           H        GLY  20  12.914   8.194  -2.756
  155   1HA   GLY  20          2HA       GLY  20  11.766  10.332  -1.542
  156   2HA   GLY  20          1HA       GLY  20  13.478  10.665  -1.353
  157    H    GLY  21           H        GLY  21  12.307  12.560  -2.642
  158   1HA   GLY  21          2HA       GLY  21  12.261  12.118  -5.513
  159   2HA   GLY  21          1HA       GLY  21  12.015  13.648  -4.683
  160    H    GLU  22           H        GLU  22  13.677  15.086  -4.588
  161    HA   GLU  22           HA       GLU  22  16.196  14.489  -5.842
  162   1HB   GLU  22          2HB       GLU  22  15.239  16.908  -4.285
  163   2HB   GLU  22          1HB       GLU  22  16.817  16.807  -5.051
  164   1HG   GLU  22          2HG       GLU  22  15.298  18.071  -6.437
  165   2HG   GLU  22          1HG       GLU  22  15.733  16.568  -7.244
  166    H    GLY  23           H        GLY  23  18.306  14.966  -4.674
  167   1HA   GLY  23          2HA       GLY  23  18.905  13.148  -2.741
  168   2HA   GLY  23          1HA       GLY  23  19.802  14.641  -2.946
  169    H    ALA  24           H        ALA  24  18.112  16.556  -2.034
  170    HA   ALA  24           HA       ALA  24  18.327  16.384   0.769
  171   1HB   ALA  24          1HB       ALA  24  17.081  18.485   0.819
  172   2HB   ALA  24          2HB       ALA  24  16.612  18.259  -0.866
  173   3HB   ALA  24          3HB       ALA  24  18.307  18.508  -0.449
  174    H    LEU  25           H        LEU  25  15.672  15.605  -1.398
  175    HA   LEU  25           HA       LEU  25  13.793  15.207   0.806
  176   1HB   LEU  25          2HB       LEU  25  13.449  14.787  -2.171
  177   2HB   LEU  25          1HB       LEU  25  12.170  14.671  -0.976
  178    HG   LEU  25           HG       LEU  25  13.706  17.177  -1.693
  179   1HD1  LEU  25          1HD1      LEU  25  12.126  16.476  -3.423
  180   2HD1  LEU  25          2HD1      LEU  25  11.596  17.953  -2.622
  181   3HD1  LEU  25          3HD1      LEU  25  10.833  16.412  -2.226
  182   1HD2  LEU  25          1HD2      LEU  25  13.108  17.169   0.663
  183   2HD2  LEU  25          2HD2      LEU  25  11.435  16.777   0.257
  184   3HD2  LEU  25          3HD2      LEU  25  12.122  18.332  -0.223
  185    H    GLY  26           H        GLY  26  16.250  13.441  -0.443
  186   1HA   GLY  26          2HA       GLY  26  15.008  10.850  -0.648
  187   2HA   GLY  26          1HA       GLY  26  16.730  11.189  -0.662
  188    H    HIS  27           H        HIS  27  15.787   8.992   0.650
  189    HA   HIS  27           HA       HIS  27  16.386   9.629   3.457
  190   1HB   HIS  27          2HB       HIS  27  14.083   7.879   2.536
  191   2HB   HIS  27          1HB       HIS  27  14.615   8.045   4.209
  192    HD1  HIS  27           HD1      HIS  27  12.812   9.885   1.489
  193    HD2  HIS  27           HD2      HIS  27  13.857  10.433   5.470
  194    HE1  HIS  27           HE1      HIS  27  11.485  11.868   2.262
  195    HE2  HIS  27           HE2      HIS  27  12.355  12.335   4.577
  196    HA   PRO  28           HA       PRO  28  19.135   6.210   3.159
  197   1HB   PRO  28          2HB       PRO  28  19.167   5.176   5.663
  198   2HB   PRO  28          1HB       PRO  28  19.833   6.769   5.283
  199   1HG   PRO  28          2HG       PRO  28  17.156   6.067   6.447
  200   2HG   PRO  28          1HG       PRO  28  18.301   7.322   6.960
  201   1HD   PRO  28          2HD       PRO  28  16.139   7.873   5.424
  202   2HD   PRO  28          1HD       PRO  28  17.662   8.773   5.277
  203    H    ARG  29           H        ARG  29  16.219   5.504   2.537
  204    HA   ARG  29           HA       ARG  29  15.251   3.719   1.660
  205   1HB   ARG  29          2HB       ARG  29  17.282   2.769   0.959
  206   2HB   ARG  29          1HB       ARG  29  17.784   2.401   2.596
  207   1HG   ARG  29          2HG       ARG  29  15.386   1.037   1.450
  208   2HG   ARG  29          1HG       ARG  29  17.006   0.511   1.005
  209   1HD   ARG  29          2HD       ARG  29  17.403   0.603   3.595
  210   2HD   ARG  29          1HD       ARG  29  15.654   0.453   3.653
  211    HE   ARG  29           HE       ARG  29  16.782  -1.518   1.949
  212   1HH1  ARG  29          1HH1      ARG  29  16.405  -0.749   5.285
  213   2HH1  ARG  29          2HH1      ARG  29  16.468  -2.401   5.784
  214   1HH2  ARG  29          1HH2      ARG  29  16.863  -3.630   2.603
  215   2HH2  ARG  29          2HH2      ARG  29  16.696  -4.011   4.278
  216    H    VAL  30           H        VAL  30  13.522   3.816   2.770
  217    HA   VAL  30           HA       VAL  30  13.264   2.248   5.273
  218    HB   VAL  30           HB       VAL  30  11.607   4.650   4.439
  219   1HG1  VAL  30          1HG1      VAL  30  10.652   4.519   6.702
  220   2HG1  VAL  30          2HG1      VAL  30  11.571   3.044   7.002
  221   3HG1  VAL  30          3HG1      VAL  30  10.315   3.063   5.764
  222   1HG2  VAL  30          1HG2      VAL  30  12.713   5.820   6.309
  223   2HG2  VAL  30          2HG2      VAL  30  13.858   5.332   5.059
  224   3HG2  VAL  30          3HG2      VAL  30  13.751   4.415   6.562
  225    H    TRP  31           H        TRP  31  11.822   0.589   5.253
  226    HA   TRP  31           HA       TRP  31  10.155   0.259   2.848
  227   1HB   TRP  31          2HB       TRP  31  11.293  -1.744   4.800
  228   2HB   TRP  31          1HB       TRP  31  10.065  -2.174   3.610
  229    HD1  TRP  31           HD1      TRP  31  13.723  -0.971   3.799
  230    HE1  TRP  31           HE1      TRP  31  14.890  -1.594   1.589
  231    HE3  TRP  31           HE3      TRP  31   9.686  -2.758   1.228
  232    HZ2  TRP  31           HZ2      TRP  31  14.195  -2.703  -0.904
  233    HZ3  TRP  31           HZ3      TRP  31  10.020  -3.585  -1.068
  234    HH2  TRP  31           HH2      TRP  31  12.229  -3.556  -2.111
  235    H    LEU  32           H        LEU  32   8.047   0.488   2.981
  236    HA   LEU  32           HA       LEU  32   6.701   0.354   5.598
  237   1HB   LEU  32          2HB       LEU  32   5.885   1.626   2.976
  238   2HB   LEU  32          1HB       LEU  32   4.785   1.447   4.328
  239    HG   LEU  32           HG       LEU  32   6.366   2.833   5.706
  240   1HD1  LEU  32          1HD1      LEU  32   8.009   4.223   4.530
  241   2HD1  LEU  32          2HD1      LEU  32   7.694   3.330   3.042
  242   3HD1  LEU  32          3HD1      LEU  32   8.405   2.508   4.429
  243   1HD2  LEU  32          1HD2      LEU  32   5.220   4.119   3.228
  244   2HD2  LEU  32          2HD2      LEU  32   5.661   4.959   4.715
  245   3HD2  LEU  32          3HD2      LEU  32   4.351   3.781   4.725
  246    H    GLN  33           H        GLN  33   4.755  -0.830   5.842
  247    HA   GLN  33           HA       GLN  33   4.358  -3.004   3.859
  248   1HB   GLN  33          2HB       GLN  33   5.461  -3.766   5.948
  249   2HB   GLN  33          1HB       GLN  33   4.104  -3.157   6.883
  250   1HG   GLN  33          2HG       GLN  33   3.881  -5.524   6.668
  251   2HG   GLN  33          1HG       GLN  33   2.629  -4.766   5.689
  252   1HE2  GLN  33          1HE2      GLN  33   2.725  -4.958   3.454
  253   2HE2  GLN  33          2HE2      GLN  33   3.790  -6.065   2.667
  254    H    ILE  34           H        ILE  34   2.508  -2.571   2.840
  255    HA   ILE  34           HA       ILE  34   0.371  -1.016   3.758
  256    HB   ILE  34           HB       ILE  34   0.330  -3.195   1.652
  257   1HG1  ILE  34          2HG1      ILE  34   0.762  -0.207   1.364
  258   2HG1  ILE  34          1HG1      ILE  34   2.011  -1.437   1.216
  259   1HG2  ILE  34          1HG2      ILE  34  -1.630  -2.033   0.734
  260   2HG2  ILE  34          2HG2      ILE  34  -1.603  -0.916   2.098
  261   3HG2  ILE  34          3HG2      ILE  34  -1.929  -2.628   2.368
  262   1HD1  ILE  34          1HD1      ILE  34  -0.376  -1.104  -0.587
  263   2HD1  ILE  34          2HD1      ILE  34   0.856  -2.358  -0.734
  264   3HD1  ILE  34          3HD1      ILE  34   1.291  -0.664  -0.958
  265    HA   PRO  35           HA       PRO  35  -1.786  -4.104   6.265
  266   1HB   PRO  35          2HB       PRO  35  -3.822  -2.485   7.078
  267   2HB   PRO  35          1HB       PRO  35  -2.218  -2.465   7.810
  268   1HG   PRO  35          2HG       PRO  35  -3.459  -0.536   5.937
  269   2HG   PRO  35          1HG       PRO  35  -2.238  -0.266   7.185
  270   1HD   PRO  35          2HD       PRO  35  -1.773  -0.488   4.421
  271   2HD   PRO  35          1HD       PRO  35  -0.546  -0.546   5.697
  272    H    GLU  36           H        GLU  36  -3.000  -5.621   5.354
  273    HA   GLU  36           HA       GLU  36  -4.070  -5.372   2.794
  274   1HB   GLU  36          2HB       GLU  36  -4.637  -7.483   4.888
  275   2HB   GLU  36          1HB       GLU  36  -5.093  -7.615   3.198
  276   1HG   GLU  36          2HG       GLU  36  -3.115  -8.893   3.521
  277   2HG   GLU  36          1HG       GLU  36  -2.675  -7.459   2.599
  278    H    ASP  37           H        ASP  37  -5.716  -5.173   5.924
  279    HA   ASP  37           HA       ASP  37  -8.334  -5.291   4.712
  280   1HB   ASP  37          2HB       ASP  37  -7.745  -6.260   6.965
  281   2HB   ASP  37          1HB       ASP  37  -7.683  -4.610   7.582
  282    H    THR  38           H        THR  38  -6.153  -2.802   4.912
  283    HA   THR  38           HA       THR  38  -8.307  -0.771   4.870
  284    HB   THR  38           HB       THR  38  -6.660   0.943   5.149
  285    HG1  THR  38           HG1      THR  38  -4.470   0.570   4.947
  286   1HG2  THR  38          1HG2      THR  38  -7.222  -0.242   7.223
  287   2HG2  THR  38          2HG2      THR  38  -5.553   0.330   7.253
  288   3HG2  THR  38          3HG2      THR  38  -5.898  -1.372   6.943
  289    H    GLY  39           H        GLY  39  -5.437  -1.891   3.112
  290   1HA   GLY  39          2HA       GLY  39  -5.461  -2.333   0.765
  291   2HA   GLY  39          1HA       GLY  39  -6.747  -1.149   0.578
  292    H    TRP  40           H        TRP  40  -4.480   0.175   2.630
  293    HA   TRP  40           HA       TRP  40  -2.681   1.207   0.614
  294   1HB   TRP  40          2HB       TRP  40  -3.382   3.574   0.890
  295   2HB   TRP  40          1HB       TRP  40  -4.637   2.585   0.149
  296    HD1  TRP  40           HD1      TRP  40  -6.850   2.110   1.605
  297    HE1  TRP  40           HE1      TRP  40  -7.855   3.327   3.638
  298    HE3  TRP  40           HE3      TRP  40  -2.764   4.861   3.025
  299    HZ2  TRP  40           HZ2      TRP  40  -7.032   5.202   5.577
  300    HZ3  TRP  40           HZ3      TRP  40  -2.964   6.341   4.979
  301    HH2  TRP  40           HH2      TRP  40  -5.059   6.507   6.228
  302    H    VAL  41           H        VAL  41  -0.998   2.554   1.468
  303    HA   VAL  41           HA       VAL  41  -0.923   2.871   4.399
  304    HB   VAL  41           HB       VAL  41   0.457   0.889   3.782
  305   1HG1  VAL  41          1HG1      VAL  41   2.549   1.181   2.556
  306   2HG1  VAL  41          2HG1      VAL  41   2.160   2.875   2.270
  307   3HG1  VAL  41          3HG1      VAL  41   1.165   1.609   1.551
  308   1HG2  VAL  41          1HG2      VAL  41   2.459   1.544   5.037
  309   2HG2  VAL  41          2HG2      VAL  41   1.000   2.204   5.776
  310   3HG2  VAL  41          3HG2      VAL  41   2.049   3.245   4.814
  311    H    GLU  42           H        GLU  42  -0.013   4.793   5.110
  312    HA   GLU  42           HA       GLU  42   0.739   6.703   2.993
  313   1HB   GLU  42          2HB       GLU  42  -1.262   7.252   4.378
  314   2HB   GLU  42          1HB       GLU  42  -0.229   7.308   5.798
  315   1HG   GLU  42          2HG       GLU  42   0.962   9.203   4.948
  316   2HG   GLU  42          1HG       GLU  42   0.156   9.071   3.385
  317    H    CYS  43           H        CYS  43   2.703   7.620   2.965
  318    HA   CYS  43           HA       CYS  43   4.719   6.605   4.798
  319   1HB   CYS  43          2HB       CYS  43   5.207   6.614   2.410
  320   2HB   CYS  43          1HB       CYS  43   4.968   8.357   2.343
  321    HG   CYS  43           HG       CYS  43   7.702   6.692   2.935
  322    HA   PRO  44           HA       PRO  44   4.506  10.393   7.233
  323   1HB   PRO  44          2HB       PRO  44   6.323   9.719   9.110
  324   2HB   PRO  44          1HB       PRO  44   4.715   8.984   9.060
  325   1HG   PRO  44          2HG       PRO  44   7.320   7.900   8.031
  326   2HG   PRO  44          1HG       PRO  44   6.068   7.076   8.979
  327   1HD   PRO  44          2HD       PRO  44   6.281   6.810   6.279
  328   2HD   PRO  44          1HD       PRO  44   4.726   6.715   7.133
  329    H    TYR  45           H        TYR  45   7.177   9.202   5.457
  330    HA   TYR  45           HA       TYR  45   8.862  11.527   6.073
  331   1HB   TYR  45          2HB       TYR  45   9.498   9.053   4.450
  332   2HB   TYR  45          1HB       TYR  45  10.641  10.318   4.895
  333    HD1  TYR  45           HD1      TYR  45  10.858  10.764   7.488
  334    HD2  TYR  45           HD2      TYR  45   9.364   7.152   5.792
  335    HE1  TYR  45           HE1      TYR  45  11.379   9.572   9.575
  336    HE2  TYR  45           HE2      TYR  45   9.882   5.954   7.878
  337    HH   TYR  45           HH       TYR  45  10.558   7.487  10.768
  338    H    CYS  46           H        CYS  46   7.226   9.969   3.331
  339    HA   CYS  46           HA       CYS  46   7.899  12.331   1.679
  340   1HB   CYS  46          2HB       CYS  46   8.923  10.236   0.864
  341   2HB   CYS  46          1HB       CYS  46   7.326   9.518   0.716
  342    HG   CYS  46           HG       CYS  46   6.826  12.028  -1.030
  343    H    ASP  47           H        ASP  47   5.403  11.076   3.362
  344    HA   ASP  47           HA       ASP  47   3.161  11.405   3.412
  345   1HB   ASP  47          2HB       ASP  47   3.990  13.767   1.720
  346   2HB   ASP  47          1HB       ASP  47   2.391  13.582   2.439
  347    H    CYS  48           H        CYS  48   4.209   9.739   1.156
  348    HA   CYS  48           HA       CYS  48   2.116  10.086  -0.866
  349   1HB   CYS  48          2HB       CYS  48   4.460   8.171  -0.750
  350   2HB   CYS  48          1HB       CYS  48   3.304   8.265  -2.077
  351    HG   CYS  48           HG       CYS  48   4.864  11.141  -1.254
  352    H    LYS  49           H        LYS  49   0.537   8.532  -1.311
  353    HA   LYS  49           HA       LYS  49   0.079   6.567   0.848
  354   1HB   LYS  49          2HB       LYS  49  -1.543   8.417   0.740
  355   2HB   LYS  49          1HB       LYS  49  -1.925   7.989  -0.920
  356   1HG   LYS  49          2HG       LYS  49  -2.907   5.914  -0.228
  357   2HG   LYS  49          1HG       LYS  49  -2.361   6.156   1.435
  358   1HD   LYS  49          2HD       LYS  49  -4.305   7.949  -0.037
  359   2HD   LYS  49          1HD       LYS  49  -4.759   6.703   1.129
  360   1HE   LYS  49          2HE       LYS  49  -3.675   7.862   2.915
  361   2HE   LYS  49          1HE       LYS  49  -2.894   8.982   1.800
  362   1HZ   LYS  49          1HZ       LYS  49  -5.828   8.816   2.218
  363   2HZ   LYS  49          2HZ       LYS  49  -4.996   9.966   1.299
  364   3HZ   LYS  49          3HZ       LYS  49  -4.817   9.936   2.976
  365    H    TYR  50           H        TYR  50   0.651   4.591   0.160
  366    HA   TYR  50           HA       TYR  50   0.478   3.896  -2.675
  367   1HB   TYR  50          2HB       TYR  50   1.653   2.292  -0.388
  368   2HB   TYR  50          1HB       TYR  50   1.874   1.993  -2.109
  369    HD1  TYR  50           HD1      TYR  50   3.356   3.424  -3.447
  370    HD2  TYR  50           HD2      TYR  50   2.866   4.075   0.735
  371    HE1  TYR  50           HE1      TYR  50   5.348   4.868  -3.440
  372    HE2  TYR  50           HE2      TYR  50   4.853   5.519   0.750
  373    HH   TYR  50           HH       TYR  50   6.376   6.602  -2.147
  374    H    VAL  51           H        VAL  51  -1.421   3.102  -3.354
  375    HA   VAL  51           HA       VAL  51  -3.036   1.400  -1.595
  376    HB   VAL  51           HB       VAL  51  -3.681   2.511  -4.339
  377   1HG1  VAL  51          1HG1      VAL  51  -4.907   0.445  -3.923
  378   2HG1  VAL  51          2HG1      VAL  51  -6.000   1.826  -3.844
  379   3HG1  VAL  51          3HG1      VAL  51  -5.446   1.057  -2.358
  380   1HG2  VAL  51          1HG2      VAL  51  -5.184   4.035  -3.110
  381   2HG2  VAL  51          2HG2      VAL  51  -3.494   4.270  -2.667
  382   3HG2  VAL  51          3HG2      VAL  51  -4.575   3.389  -1.587
  383    H    LEU  52           H        LEU  52  -3.301  -0.749  -1.869
  384    HA   LEU  52           HA       LEU  52  -1.477  -2.108  -3.654
  385   1HB   LEU  52          2HB       LEU  52  -1.801  -2.790  -1.295
  386   2HB   LEU  52          1HB       LEU  52  -3.454  -3.240  -1.669
  387    HG   LEU  52           HG       LEU  52  -2.603  -4.967  -3.243
  388   1HD1  LEU  52          1HD1      LEU  52  -0.476  -3.960  -3.834
  389   2HD1  LEU  52          2HD1      LEU  52  -0.217  -5.572  -3.169
  390   3HD1  LEU  52          3HD1      LEU  52   0.103  -4.148  -2.179
  391   1HD2  LEU  52          1HD2      LEU  52  -3.171  -5.575  -0.947
  392   2HD2  LEU  52          2HD2      LEU  52  -1.535  -5.178  -0.422
  393   3HD2  LEU  52          3HD2      LEU  52  -1.803  -6.527  -1.527
  394    H    LYS  53           H        LYS  53  -2.002  -2.599  -5.688
  395    HA   LYS  53           HA       LYS  53  -4.648  -2.604  -6.718
  396   1HB   LYS  53          2HB       LYS  53  -2.411  -2.198  -7.952
  397   2HB   LYS  53          1HB       LYS  53  -2.296  -3.945  -8.054
  398   1HG   LYS  53          2HG       LYS  53  -4.769  -2.583  -9.053
  399   2HG   LYS  53          1HG       LYS  53  -3.300  -2.527 -10.020
  400   1HD   LYS  53          2HD       LYS  53  -4.065  -4.453 -10.902
  401   2HD   LYS  53          1HD       LYS  53  -3.431  -5.188  -9.433
  402   1HE   LYS  53          2HE       LYS  53  -5.697  -5.957  -9.886
  403   2HE   LYS  53          1HE       LYS  53  -5.648  -5.019  -8.396
  404   1HZ   LYS  53          1HZ       LYS  53  -7.561  -4.456  -9.781
  405   2HZ   LYS  53          2HZ       LYS  53  -6.533  -3.978 -11.035
  406   3HZ   LYS  53          3HZ       LYS  53  -6.543  -3.124  -9.575
  407    H    GLY  54           H        GLY  54  -6.130  -4.104  -6.309
  408   1HA   GLY  54          2HA       GLY  54  -6.844  -6.423  -6.647
  409   2HA   GLY  54          1HA       GLY  54  -5.283  -6.930  -6.021
  410    H    SER  55           H        SER  55  -6.016  -4.421  -4.113
  411    HA   SER  55           HA       SER  55  -6.997  -6.098  -1.968
  412   1HB   SER  55          2HB       SER  55  -5.284  -4.425  -1.478
  413   2HB   SER  55          1HB       SER  55  -6.355  -3.134  -2.023
  414    HG   SER  55           HG       SER  55  -6.209  -4.303   0.399
  415    H    LYS  56           H        LYS  56  -8.652  -4.794  -0.458
  416    HA   LYS  56           HA       LYS  56 -11.172  -5.191  -1.552
  417   1HB   LYS  56          2HB       LYS  56 -12.011  -4.032   0.485
  418   2HB   LYS  56          1HB       LYS  56 -10.789  -5.250   0.828
  419   1HG   LYS  56          2HG       LYS  56  -9.101  -3.348   0.842
  420   2HG   LYS  56          1HG       LYS  56 -10.487  -2.256   0.862
  421   1HD   LYS  56          2HD       LYS  56  -9.868  -4.389   2.914
  422   2HD   LYS  56          1HD       LYS  56  -9.621  -2.656   3.119
  423   1HE   LYS  56          2HE       LYS  56 -12.057  -2.312   2.842
  424   2HE   LYS  56          1HE       LYS  56 -12.262  -4.062   2.738
  425   1HZ   LYS  56          1HZ       LYS  56 -12.708  -3.300   4.962
  426   2HZ   LYS  56          2HZ       LYS  56 -11.189  -2.559   5.063
  427   3HZ   LYS  56          3HZ       LYS  56 -11.305  -4.243   4.970
  428    H    ALA  57           H        ALA  57  -9.425  -2.115  -1.155
  429    HA   ALA  57           HA       ALA  57 -11.535  -0.423  -1.996
  430   1HB   ALA  57          1HB       ALA  57  -9.621   0.372  -0.692
  431   2HB   ALA  57          2HB       ALA  57  -9.826   1.307  -2.172
  432   3HB   ALA  57          3HB       ALA  57  -8.558   0.082  -2.069
  433    H    ASP  58           H        ASP  58  -9.331  -2.382  -3.751
  434    HA   ASP  58           HA       ASP  58  -9.448  -0.931  -6.235
  435   1HB   ASP  58          2HB       ASP  58  -7.448  -2.168  -5.672
  436   2HB   ASP  58          1HB       ASP  58  -8.367  -3.654  -5.483
  437    H    ALA  59           H        ALA  59 -11.458  -3.241  -4.693
  438    HA   ALA  59           HA       ALA  59 -12.419  -4.542  -7.087
  439   1HB   ALA  59          1HB       ALA  59 -13.900  -5.764  -5.570
  440   2HB   ALA  59          2HB       ALA  59 -13.396  -4.719  -4.240
  441   3HB   ALA  59          3HB       ALA  59 -12.226  -5.792  -5.010
  442    H    LEU  60           H        LEU  60 -12.896  -2.082  -7.733
  443    HA   LEU  60           HA       LEU  60 -15.390  -0.990  -6.913
  444   1HB   LEU  60          2HB       LEU  60 -15.143   0.368  -9.067
  445   2HB   LEU  60          1HB       LEU  60 -13.923   0.562  -7.827
  446    HG   LEU  60           HG       LEU  60 -12.468  -1.044  -9.136
  447   1HD1  LEU  60          1HD1      LEU  60 -14.177  -2.114 -10.494
  448   2HD1  LEU  60          2HD1      LEU  60 -12.967  -1.344 -11.519
  449   3HD1  LEU  60          3HD1      LEU  60 -14.541  -0.580 -11.285
  450   1HD2  LEU  60          1HD2      LEU  60 -12.106   1.368  -9.164
  451   2HD2  LEU  60          2HD2      LEU  60 -13.258   1.539 -10.489
  452   3HD2  LEU  60          3HD2      LEU  60 -11.751   0.659 -10.742
  453    H    GLU  61           H        GLU  61 -17.086  -0.471  -8.806
  454    HA   GLU  61           HA       GLU  61 -18.164  -3.090  -9.428
  455   1HB   GLU  61          2HB       GLU  61 -20.236  -1.903 -10.002
  456   2HB   GLU  61          1HB       GLU  61 -19.644  -1.474  -8.404
  457   1HG   GLU  61          2HG       GLU  61 -18.807   0.635  -9.231
  458   2HG   GLU  61          1HG       GLU  61 -19.257   0.200 -10.882
  459    H    HIS  62           H        HIS  62 -17.936  -4.083 -11.268
  460    HA   HIS  62           HA       HIS  62 -18.547  -2.913 -13.785
  461   1HB   HIS  62          2HB       HIS  62 -16.179  -2.129 -13.549
  462   2HB   HIS  62          1HB       HIS  62 -15.665  -3.808 -13.419
  463    HD1  HIS  62           HD1      HIS  62 -16.943  -1.292 -15.879
  464    HD2  HIS  62           HD2      HIS  62 -15.588  -5.219 -15.841
  465    HE1  HIS  62           HE1      HIS  62 -16.622  -1.918 -18.287
  466    HE2  HIS  62           HE2      HIS  62 -16.015  -4.355 -18.235
  467    H    HIS  63           H        HIS  63 -20.058  -4.617 -13.838
  468    HA   HIS  63           HA       HIS  63 -18.973  -7.338 -14.032
  469   1HB   HIS  63          2HB       HIS  63 -20.669  -8.129 -12.345
  470   2HB   HIS  63          1HB       HIS  63 -19.367  -7.149 -11.680
  471    HD1  HIS  63           HD1      HIS  63 -23.041  -6.916 -12.577
  472    HD2  HIS  63           HD2      HIS  63 -20.175  -4.823 -10.412
  473    HE1  HIS  63           HE1      HIS  63 -24.304  -5.156 -11.317
  474    HE2  HIS  63           HE2      HIS  63 -22.548  -3.842 -10.091
  475    H    HIS  64           H        HIS  64 -20.839  -8.948 -14.263
  476    HA   HIS  64           HA       HIS  64 -23.165  -7.940 -15.732
  477   1HB   HIS  64          2HB       HIS  64 -22.741  -9.821 -17.447
  478   2HB   HIS  64          1HB       HIS  64 -21.757  -8.367 -17.582
  479    HD1  HIS  64           HD1      HIS  64 -19.259  -8.659 -17.440
  480    HD2  HIS  64           HD2      HIS  64 -21.325 -12.080 -16.306
  481    HE1  HIS  64           HE1      HIS  64 -17.513 -10.432 -17.145
  482    HE2  HIS  64           HE2      HIS  64 -18.794 -12.519 -16.594
  483    H    HIS  65           H        HIS  65 -24.723  -9.905 -16.188
  484    HA   HIS  65           HA       HIS  65 -25.197 -11.186 -13.685
  485   1HB   HIS  65          2HB       HIS  65 -26.510 -11.346 -16.378
  486   2HB   HIS  65          1HB       HIS  65 -26.934 -12.510 -15.132
  487    HD1  HIS  65           HD1      HIS  65 -28.010  -9.380 -16.419
  488    HD2  HIS  65           HD2      HIS  65 -27.721 -11.020 -12.615
  489    HE1  HIS  65           HE1      HIS  65 -29.596  -8.061 -14.993
  490    HE2  HIS  65           HE2      HIS  65 -29.521  -9.175 -12.748
  491    H    HIS  66           H        HIS  66 -23.356 -12.412 -13.226
  492    HA   HIS  66           HA       HIS  66 -22.920 -14.831 -14.828
  493   1HB   HIS  66          2HB       HIS  66 -21.015 -13.432 -13.820
  494   2HB   HIS  66          1HB       HIS  66 -21.503 -14.083 -12.258
  495    HD1  HIS  66           HD1      HIS  66 -20.533 -16.311 -11.635
  496    HD2  HIS  66           HD2      HIS  66 -20.162 -15.515 -15.698
  497    HE1  HIS  66           HE1      HIS  66 -19.093 -18.148 -12.553
  498    HE2  HIS  66           HE2      HIS  66 -19.020 -17.736 -15.030
  499    H    HIS  67           H        HIS  67 -24.512 -13.711 -12.000
  500    HA   HIS  67           HA       HIS  67 -25.306 -16.460 -11.254
  501   1HB   HIS  67          2HB       HIS  67 -25.471 -13.928  -9.583
  502   2HB   HIS  67          1HB       HIS  67 -25.938 -15.541  -9.056
  503    HD1  HIS  67           HD1      HIS  67 -24.137 -16.987  -8.070
  504    HD2  HIS  67           HD2      HIS  67 -22.616 -13.610  -9.951
  505    HE1  HIS  67           HE1      HIS  67 -21.708 -16.911  -7.453
  506    HE2  HIS  67           HE2      HIS  67 -20.865 -14.757  -8.430
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  13.256  18.503  -7.455
    2   2H    MET   1          2H        MET   1  13.959  19.754  -6.566
    3   3H    MET   1          3H        MET   1  12.468  19.116  -6.090
    4    HA   MET   1           HA       MET   1  15.057  17.682  -6.095
    5   1HB   MET   1          2HB       MET   1  13.368  18.683  -3.792
    6   2HB   MET   1          1HB       MET   1  14.825  17.714  -3.632
    7   1HG   MET   1          2HG       MET   1  15.284  20.054  -3.198
    8   2HG   MET   1          1HG       MET   1  16.140  19.506  -4.639
    9   1HE   MET   1          1HE       MET   1  15.757  22.578  -3.902
   10   2HE   MET   1          2HE       MET   1  15.310  23.260  -5.467
   11   3HE   MET   1          3HE       MET   1  16.586  22.045  -5.365
   12    H    THR   2           H        THR   2  11.608  17.520  -5.109
   13    HA   THR   2           HA       THR   2  11.745  14.585  -5.519
   14    HB   THR   2           HB       THR   2   9.797  15.912  -3.608
   15    HG1  THR   2           HG1      THR   2  11.429  16.136  -2.277
   16   1HG2  THR   2          1HG2      THR   2   9.625  13.652  -2.673
   17   2HG2  THR   2          2HG2      THR   2  10.778  13.066  -3.871
   18   3HG2  THR   2          3HG2      THR   2   9.203  13.668  -4.384
   19    H    ILE   3           H        ILE   3  10.254  13.711  -6.901
   20    HA   ILE   3           HA       ILE   3   8.526  15.321  -8.467
   21    HB   ILE   3           HB       ILE   3   9.402  13.106  -9.195
   22   1HG1  ILE   3          2HG1      ILE   3   7.317  12.322 -10.299
   23   2HG1  ILE   3          1HG1      ILE   3   6.374  13.349  -9.224
   24   1HG2  ILE   3          1HG2      ILE   3   7.362  11.964  -7.279
   25   2HG2  ILE   3          2HG2      ILE   3   9.114  11.893  -7.087
   26   3HG2  ILE   3          3HG2      ILE   3   8.339  11.043  -8.424
   27   1HD1  ILE   3          1HD1      ILE   3   6.630  14.374 -11.402
   28   2HD1  ILE   3          2HD1      ILE   3   8.386  14.284 -11.262
   29   3HD1  ILE   3          3HD1      ILE   3   7.466  15.325 -10.175
   30    H    GLN   4           H        GLN   4   8.185  13.897  -5.387
   31    HA   GLN   4           HA       GLN   4   6.661  14.097  -3.747
   32   1HB   GLN   4          2HB       GLN   4   5.182  15.888  -5.683
   33   2HB   GLN   4          1HB       GLN   4   4.746  15.660  -3.995
   34   1HG   GLN   4          2HG       GLN   4   6.884  16.610  -3.300
   35   2HG   GLN   4          1HG       GLN   4   7.350  16.811  -4.989
   36   1HE2  GLN   4          1HE2      GLN   4   5.277  17.945  -2.439
   37   2HE2  GLN   4          2HE2      GLN   4   4.810  19.420  -3.208
   38    H    ALA   5           H        ALA   5   4.292  14.305  -6.383
   39    HA   ALA   5           HA       ALA   5   2.379  13.115  -6.752
   40   1HB   ALA   5          1HB       ALA   5   2.682  10.716  -7.103
   41   2HB   ALA   5          2HB       ALA   5   4.227  10.778  -6.250
   42   3HB   ALA   5          3HB       ALA   5   4.027  11.629  -7.783
   43    HA   PRO   6           HA       PRO   6   1.769  12.235  -2.156
   44   1HB   PRO   6          2HB       PRO   6   0.574  14.477  -1.338
   45   2HB   PRO   6          1HB       PRO   6   2.324  14.424  -1.598
   46   1HG   PRO   6          2HG       PRO   6   0.176  15.532  -3.377
   47   2HG   PRO   6          1HG       PRO   6   1.761  16.217  -2.982
   48   1HD   PRO   6          2HD       PRO   6   1.196  14.795  -5.288
   49   2HD   PRO   6          1HD       PRO   6   2.819  14.995  -4.600
   50    H    GLU   7           H        GLU   7   0.131  11.407  -4.408
   51    HA   GLU   7           HA       GLU   7  -2.575  11.639  -3.243
   52   1HB   GLU   7          2HB       GLU   7  -1.777  12.635  -5.709
   53   2HB   GLU   7          1HB       GLU   7  -2.477  11.084  -6.137
   54   1HG   GLU   7          2HG       GLU   7  -3.958  13.042  -4.406
   55   2HG   GLU   7          1HG       GLU   7  -3.970  13.179  -6.160
   56    H    THR   8           H        THR   8  -3.735   9.749  -5.070
   57    HA   THR   8           HA       THR   8  -3.110   7.316  -3.741
   58    HB   THR   8           HB       THR   8  -4.833   7.774  -6.193
   59    HG1  THR   8           HG1      THR   8  -5.571   8.934  -4.364
   60   1HG2  THR   8          1HG2      THR   8  -5.931   5.661  -5.537
   61   2HG2  THR   8          2HG2      THR   8  -4.724   5.439  -4.272
   62   3HG2  THR   8          3HG2      THR   8  -4.238   5.422  -5.966
   63    H    LYS   9           H        LYS   9  -1.583   5.865  -4.237
   64    HA   LYS   9           HA       LYS   9  -0.557   5.762  -7.003
   65   1HB   LYS   9          2HB       LYS   9   0.998   6.693  -5.147
   66   2HB   LYS   9          1HB       LYS   9   1.102   5.026  -4.597
   67   1HG   LYS   9          2HG       LYS   9   2.986   5.460  -5.994
   68   2HG   LYS   9          1HG       LYS   9   1.899   4.392  -6.881
   69   1HD   LYS   9          2HD       LYS   9   1.051   6.256  -8.175
   70   2HD   LYS   9          1HD       LYS   9   2.004   7.396  -7.225
   71   1HE   LYS   9          2HE       LYS   9   3.070   6.984  -9.369
   72   2HE   LYS   9          1HE       LYS   9   4.066   6.347  -8.062
   73   1HZ   LYS   9          1HZ       LYS   9   3.250   4.141  -8.542
   74   2HZ   LYS   9          2HZ       LYS   9   3.909   4.818  -9.941
   75   3HZ   LYS   9          3HZ       LYS   9   2.233   4.739  -9.751
   76    H    ILE  10           H        ILE  10  -1.529   4.012  -7.829
   77    HA   ILE  10           HA       ILE  10  -2.144   1.687  -6.203
   78    HB   ILE  10           HB       ILE  10  -2.625   2.164  -9.159
   79   1HG1  ILE  10          2HG1      ILE  10  -4.496   2.447  -6.782
   80   2HG1  ILE  10          1HG1      ILE  10  -3.820   3.773  -7.724
   81   1HG2  ILE  10          1HG2      ILE  10  -3.746   0.048  -7.315
   82   2HG2  ILE  10          2HG2      ILE  10  -2.581  -0.213  -8.613
   83   3HG2  ILE  10          3HG2      ILE  10  -4.222   0.305  -8.994
   84   1HD1  ILE  10          1HD1      ILE  10  -5.716   1.667  -8.746
   85   2HD1  ILE  10          2HD1      ILE  10  -5.038   2.994  -9.693
   86   3HD1  ILE  10          3HD1      ILE  10  -6.121   3.336  -8.344
   87    H    VAL  11           H        VAL  11  -0.380   0.474  -5.733
   88    HA   VAL  11           HA       VAL  11   1.499  -0.201  -7.912
   89    HB   VAL  11           HB       VAL  11   3.169  -0.665  -6.142
   90   1HG1  VAL  11          1HG1      VAL  11   3.143   1.523  -7.210
   91   2HG1  VAL  11          2HG1      VAL  11   3.588   1.678  -5.510
   92   3HG1  VAL  11          3HG1      VAL  11   1.960   2.106  -6.039
   93   1HG2  VAL  11          1HG2      VAL  11   1.623  -1.222  -4.316
   94   2HG2  VAL  11          2HG2      VAL  11   1.087   0.457  -4.250
   95   3HG2  VAL  11          3HG2      VAL  11   2.752   0.047  -3.834
   96    H    ASP  12           H        ASP  12   2.387  -2.349  -7.978
   97    HA   ASP  12           HA       ASP  12   0.410  -4.377  -7.306
   98   1HB   ASP  12          2HB       ASP  12   2.965  -4.481  -8.930
   99   2HB   ASP  12          1HB       ASP  12   1.900  -5.861  -8.687
  100    H    LYS  13           H        LYS  13   2.411  -3.077  -5.323
  101    HA   LYS  13           HA       LYS  13   3.449  -5.583  -4.195
  102   1HB   LYS  13          2HB       LYS  13   5.538  -4.375  -3.552
  103   2HB   LYS  13          1HB       LYS  13   5.330  -4.582  -5.287
  104   1HG   LYS  13          2HG       LYS  13   4.506  -2.258  -5.439
  105   2HG   LYS  13          1HG       LYS  13   4.812  -2.061  -3.711
  106   1HD   LYS  13          2HD       LYS  13   7.185  -2.476  -4.059
  107   2HD   LYS  13          1HD       LYS  13   6.902  -2.777  -5.774
  108   1HE   LYS  13          2HE       LYS  13   6.155  -0.464  -6.061
  109   2HE   LYS  13          1HE       LYS  13   6.409  -0.163  -4.342
  110   1HZ   LYS  13          1HZ       LYS  13   8.738  -0.512  -4.610
  111   2HZ   LYS  13          2HZ       LYS  13   8.249   0.599  -5.788
  112   3HZ   LYS  13          3HZ       LYS  13   8.550  -1.007  -6.214
  113    H    SER  14           H        SER  14   3.510  -5.735  -1.965
  114    HA   SER  14           HA       SER  14   1.811  -3.853  -0.525
  115   1HB   SER  14          2HB       SER  14   3.055  -6.468   0.358
  116   2HB   SER  14          1HB       SER  14   1.899  -5.525   1.296
  117    HG   SER  14           HG       SER  14   0.471  -6.678   0.274
  118    H    ARG  15           H        ARG  15   5.193  -4.616  -0.743
  119    HA   ARG  15           HA       ARG  15   5.740  -2.951   1.631
  120   1HB   ARG  15          2HB       ARG  15   7.445  -5.042   0.264
  121   2HB   ARG  15          1HB       ARG  15   7.998  -4.028   1.596
  122   1HG   ARG  15          2HG       ARG  15   6.365  -4.966   3.081
  123   2HG   ARG  15          1HG       ARG  15   5.605  -5.854   1.760
  124   1HD   ARG  15          2HD       ARG  15   7.599  -7.210   1.490
  125   2HD   ARG  15          1HD       ARG  15   8.425  -6.281   2.742
  126    HE   ARG  15           HE       ARG  15   6.509  -7.147   4.220
  127   1HH1  ARG  15          1HH1      ARG  15   7.864  -8.929   1.597
  128   2HH1  ARG  15          2HH1      ARG  15   7.533 -10.457   2.328
  129   1HH2  ARG  15          1HH2      ARG  15   6.112  -9.094   5.147
  130   2HH2  ARG  15          2HH2      ARG  15   6.561 -10.549   4.328
  131    H    VAL  16           H        VAL  16   6.134  -0.911   1.143
  132    HA   VAL  16           HA       VAL  16   7.654  -0.248  -1.309
  133    HB   VAL  16           HB       VAL  16   5.674   1.500   0.183
  134   1HG1  VAL  16          1HG1      VAL  16   5.847   2.994  -1.756
  135   2HG1  VAL  16          2HG1      VAL  16   7.085   1.946  -2.452
  136   3HG1  VAL  16          3HG1      VAL  16   7.402   2.804  -0.943
  137   1HG2  VAL  16          1HG2      VAL  16   4.185   1.160  -1.738
  138   2HG2  VAL  16          2HG2      VAL  16   4.540  -0.362  -0.920
  139   3HG2  VAL  16          3HG2      VAL  16   5.347   0.031  -2.440
  140    H    ALA  17           H        ALA  17   9.277   1.353  -1.186
  141    HA   ALA  17           HA       ALA  17  10.526   1.535   1.443
  142   1HB   ALA  17          1HB       ALA  17  11.863   0.753  -0.455
  143   2HB   ALA  17          2HB       ALA  17  12.531   2.224   0.253
  144   3HB   ALA  17          3HB       ALA  17  11.627   2.306  -1.260
  145    H    CYS  18           H        CYS  18   9.852   3.191   2.663
  146    HA   CYS  18           HA       CYS  18   9.188   5.788   1.520
  147   1HB   CYS  18          2HB       CYS  18   9.136   4.750   4.361
  148   2HB   CYS  18          1HB       CYS  18   8.638   6.374   3.896
  149    HG   CYS  18           HG       CYS  18   7.167   3.525   2.702
  150    H    ASP  19           H        ASP  19  10.060   7.359   3.810
  151    HA   ASP  19           HA       ASP  19  11.751   8.732   4.387
  152   1HB   ASP  19          2HB       ASP  19  12.784   6.488   5.073
  153   2HB   ASP  19          1HB       ASP  19  13.713   6.582   3.580
  154    H    GLY  20           H        GLY  20  11.338  10.225   2.771
  155   1HA   GLY  20          2HA       GLY  20  13.330  10.327   0.618
  156   2HA   GLY  20          1HA       GLY  20  11.639  10.365   0.162
  157    H    GLY  21           H        GLY  21  13.907  12.376  -0.068
  158   1HA   GLY  21          2HA       GLY  21  12.557  14.697  -0.164
  159   2HA   GLY  21          1HA       GLY  21  12.917  14.602   1.547
  160    H    GLU  22           H        GLU  22  15.571  13.279   0.871
  161    HA   GLU  22           HA       GLU  22  17.085  15.485  -0.299
  162   1HB   GLU  22          2HB       GLU  22  16.647  16.151   2.073
  163   2HB   GLU  22          1HB       GLU  22  17.465  14.691   2.605
  164   1HG   GLU  22          2HG       GLU  22  19.528  15.513   1.465
  165   2HG   GLU  22          1HG       GLU  22  18.681  17.026   1.141
  166    H    GLY  23           H        GLY  23  19.512  14.967  -0.273
  167   1HA   GLY  23          2HA       GLY  23  20.216  12.572  -1.365
  168   2HA   GLY  23          1HA       GLY  23  21.324  13.543  -0.412
  169    H    ALA  24           H        ALA  24  20.725  13.272   2.102
  170    HA   ALA  24           HA       ALA  24  21.367  10.618   2.829
  171   1HB   ALA  24          1HB       ALA  24  20.259  12.809   4.586
  172   2HB   ALA  24          2HB       ALA  24  21.960  12.585   4.185
  173   3HB   ALA  24          3HB       ALA  24  21.108  11.362   5.128
  174    H    LEU  25           H        LEU  25  18.334  12.182   2.315
  175    HA   LEU  25           HA       LEU  25  16.827   9.989   3.575
  176   1HB   LEU  25          2HB       LEU  25  15.889  12.680   2.555
  177   2HB   LEU  25          1HB       LEU  25  14.876  11.488   3.348
  178    HG   LEU  25           HG       LEU  25  17.200  12.936   4.634
  179   1HD1  LEU  25          1HD1      LEU  25  15.481  14.095   5.941
  180   2HD1  LEU  25          2HD1      LEU  25  14.225  13.300   4.994
  181   3HD1  LEU  25          3HD1      LEU  25  15.329  14.436   4.219
  182   1HD2  LEU  25          1HD2      LEU  25  16.881  10.700   5.561
  183   2HD2  LEU  25          2HD2      LEU  25  15.169  11.037   5.817
  184   3HD2  LEU  25          3HD2      LEU  25  16.389  11.937   6.718
  185    H    GLY  26           H        GLY  26  18.243   9.831   0.925
  186   1HA   GLY  26          2HA       GLY  26  16.151   9.933  -1.080
  187   2HA   GLY  26          1HA       GLY  26  17.812   9.439  -1.329
  188    H    HIS  27           H        HIS  27  15.183   8.217   0.736
  189    HA   HIS  27           HA       HIS  27  14.414   6.115   1.144
  190   1HB   HIS  27          2HB       HIS  27  14.689   5.885  -1.863
  191   2HB   HIS  27          1HB       HIS  27  13.693   4.849  -0.843
  192    HD1  HIS  27           HD1      HIS  27  11.515   5.897   0.135
  193    HD2  HIS  27           HD2      HIS  27  13.618   8.396  -2.434
  194    HE1  HIS  27           HE1      HIS  27   9.963   7.814  -0.358
  195    HE2  HIS  27           HE2      HIS  27  11.194   9.210  -2.051
  196    HA   PRO  28           HA       PRO  28  18.755   4.225   0.972
  197   1HB   PRO  28          2HB       PRO  28  18.149   3.999   3.879
  198   2HB   PRO  28          1HB       PRO  28  19.642   4.496   3.076
  199   1HG   PRO  28          2HG       PRO  28  18.092   6.299   4.265
  200   2HG   PRO  28          1HG       PRO  28  18.882   6.666   2.717
  201   1HD   PRO  28          2HD       PRO  28  16.029   5.889   3.251
  202   2HD   PRO  28          1HD       PRO  28  16.672   7.128   2.149
  203    H    ARG  29           H        ARG  29  16.353   3.150   3.385
  204    HA   ARG  29           HA       ARG  29  15.430   0.926   2.021
  205   1HB   ARG  29          2HB       ARG  29  17.953   0.310   2.555
  206   2HB   ARG  29          1HB       ARG  29  17.285  -0.102   4.129
  207   1HG   ARG  29          2HG       ARG  29  17.298  -2.069   2.825
  208   2HG   ARG  29          1HG       ARG  29  15.628  -1.559   2.954
  209   1HD   ARG  29          2HD       ARG  29  15.574  -0.775   0.740
  210   2HD   ARG  29          1HD       ARG  29  17.330  -0.763   0.607
  211    HE   ARG  29           HE       ARG  29  16.262  -3.389   1.033
  212   1HH1  ARG  29          1HH1      ARG  29  16.896  -1.003  -1.383
  213   2HH1  ARG  29          2HH1      ARG  29  17.033  -2.169  -2.650
  214   1HH2  ARG  29          1HH2      ARG  29  16.439  -4.868  -0.615
  215   2HH2  ARG  29          2HH2      ARG  29  16.807  -4.321  -2.213
  216    H    VAL  30           H        VAL  30  13.635   1.779   2.927
  217    HA   VAL  30           HA       VAL  30  13.060   1.004   5.712
  218    HB   VAL  30           HB       VAL  30  12.188   3.642   4.488
  219   1HG1  VAL  30          1HG1      VAL  30  11.287   4.146   6.714
  220   2HG1  VAL  30          2HG1      VAL  30  11.746   2.536   7.268
  221   3HG1  VAL  30          3HG1      VAL  30  10.518   2.722   6.016
  222   1HG2  VAL  30          1HG2      VAL  30  13.638   4.704   6.162
  223   2HG2  VAL  30          2HG2      VAL  30  14.561   3.693   5.051
  224   3HG2  VAL  30          3HG2      VAL  30  14.206   3.113   6.679
  225    H    TRP  31           H        TRP  31  11.612  -0.613   5.415
  226    HA   TRP  31           HA       TRP  31   9.753  -0.486   3.150
  227   1HB   TRP  31          2HB       TRP  31  10.424  -2.777   5.013
  228   2HB   TRP  31          1HB       TRP  31   9.368  -2.882   3.610
  229    HD1  TRP  31           HD1      TRP  31  13.036  -2.780   4.591
  230    HE1  TRP  31           HE1      TRP  31  14.474  -3.297   2.523
  231    HE3  TRP  31           HE3      TRP  31   9.391  -2.616   1.004
  232    HZ2  TRP  31           HZ2      TRP  31  14.114  -3.590  -0.261
  233    HZ3  TRP  31           HZ3      TRP  31  10.027  -3.027  -1.337
  234    HH2  TRP  31           HH2      TRP  31  12.338  -3.502  -1.956
  235    H    LEU  32           H        LEU  32   7.705   0.153   3.423
  236    HA   LEU  32           HA       LEU  32   6.397  -0.299   6.026
  237   1HB   LEU  32          2HB       LEU  32   5.871   1.641   3.802
  238   2HB   LEU  32          1HB       LEU  32   4.568   1.193   4.886
  239    HG   LEU  32           HG       LEU  32   5.938   1.980   6.810
  240   1HD1  LEU  32          1HD1      LEU  32   7.831   2.960   4.677
  241   2HD1  LEU  32          2HD1      LEU  32   8.160   1.726   5.892
  242   3HD1  LEU  32          3HD1      LEU  32   7.895   3.397   6.384
  243   1HD2  LEU  32          1HD2      LEU  32   5.656   4.380   6.357
  244   2HD2  LEU  32          2HD2      LEU  32   4.257   3.436   5.850
  245   3HD2  LEU  32          3HD2      LEU  32   5.407   4.022   4.648
  246    H    GLN  33           H        GLN  33   4.784  -1.701   6.244
  247    HA   GLN  33           HA       GLN  33   4.123  -3.433   3.981
  248   1HB   GLN  33          2HB       GLN  33   4.875  -4.522   5.998
  249   2HB   GLN  33          1HB       GLN  33   3.700  -3.654   6.968
  250   1HG   GLN  33          2HG       GLN  33   2.981  -5.919   6.715
  251   2HG   GLN  33          1HG       GLN  33   1.889  -4.875   5.810
  252   1HE2  GLN  33          1HE2      GLN  33   1.737  -5.112   3.617
  253   2HE2  GLN  33          2HE2      GLN  33   2.532  -6.375   2.747
  254    H    ILE  34           H        ILE  34   2.391  -2.891   2.797
  255    HA   ILE  34           HA       ILE  34   0.147  -1.412   3.688
  256    HB   ILE  34           HB       ILE  34   0.390  -3.307   1.334
  257   1HG1  ILE  34          2HG1      ILE  34   0.588  -0.285   1.482
  258   2HG1  ILE  34          1HG1      ILE  34   1.937  -1.387   1.230
  259   1HG2  ILE  34          1HG2      ILE  34  -1.594  -2.138   0.431
  260   2HG2  ILE  34          2HG2      ILE  34  -1.759  -1.281   1.963
  261   3HG2  ILE  34          3HG2      ILE  34  -1.944  -3.033   1.910
  262   1HD1  ILE  34          1HD1      ILE  34   0.931  -2.091  -0.900
  263   2HD1  ILE  34          2HD1      ILE  34   1.275  -0.363  -0.849
  264   3HD1  ILE  34          3HD1      ILE  34  -0.379  -0.938  -0.645
  265    HA   PRO  35           HA       PRO  35  -1.763  -4.906   5.826
  266   1HB   PRO  35          2HB       PRO  35  -3.599  -3.525   7.202
  267   2HB   PRO  35          1HB       PRO  35  -1.881  -3.411   7.607
  268   1HG   PRO  35          2HG       PRO  35  -3.584  -1.519   6.020
  269   2HG   PRO  35          1HG       PRO  35  -2.383  -1.152   7.271
  270   1HD   PRO  35          2HD       PRO  35  -1.886  -1.018   4.562
  271   2HD   PRO  35          1HD       PRO  35  -0.633  -1.282   5.790
  272    H    GLU  36           H        GLU  36  -3.298  -6.273   5.067
  273    HA   GLU  36           HA       GLU  36  -5.108  -5.711   3.002
  274   1HB   GLU  36          2HB       GLU  36  -4.414  -7.990   3.617
  275   2HB   GLU  36          1HB       GLU  36  -5.277  -7.853   5.142
  276   1HG   GLU  36          2HG       GLU  36  -7.396  -7.603   3.849
  277   2HG   GLU  36          1HG       GLU  36  -6.479  -7.909   2.375
  278    H    ASP  37           H        ASP  37  -5.281  -5.116   6.375
  279    HA   ASP  37           HA       ASP  37  -8.038  -4.954   6.837
  280   1HB   ASP  37          2HB       ASP  37  -5.901  -3.265   8.153
  281   2HB   ASP  37          1HB       ASP  37  -7.448  -3.760   8.839
  282    H    THR  38           H        THR  38  -5.776  -2.592   5.494
  283    HA   THR  38           HA       THR  38  -7.954  -0.601   5.245
  284    HB   THR  38           HB       THR  38  -6.279   1.126   5.019
  285    HG1  THR  38           HG1      THR  38  -4.076   0.649   4.913
  286   1HG2  THR  38          1HG2      THR  38  -5.105   0.978   7.172
  287   2HG2  THR  38          2HG2      THR  38  -5.485  -0.742   7.261
  288   3HG2  THR  38          3HG2      THR  38  -6.784   0.447   7.323
  289    H    GLY  39           H        GLY  39  -5.209  -1.998   3.473
  290   1HA   GLY  39          2HA       GLY  39  -5.335  -2.685   1.187
  291   2HA   GLY  39          1HA       GLY  39  -6.640  -1.538   0.940
  292    H    TRP  40           H        TRP  40  -4.383   0.045   2.746
  293    HA   TRP  40           HA       TRP  40  -2.594   0.841   0.606
  294   1HB   TRP  40          2HB       TRP  40  -3.260   3.231   0.675
  295   2HB   TRP  40          1HB       TRP  40  -4.550   2.198   0.065
  296    HD1  TRP  40           HD1      TRP  40  -6.728   1.900   1.611
  297    HE1  TRP  40           HE1      TRP  40  -7.665   3.314   3.547
  298    HE3  TRP  40           HE3      TRP  40  -2.577   4.692   2.668
  299    HZ2  TRP  40           HZ2      TRP  40  -6.768   5.347   5.292
  300    HZ3  TRP  40           HZ3      TRP  40  -2.698   6.349   4.483
  301    HH2  TRP  40           HH2      TRP  40  -4.750   6.671   5.768
  302    H    VAL  41           H        VAL  41  -1.021   2.542   1.336
  303    HA   VAL  41           HA       VAL  41  -0.861   2.934   4.237
  304    HB   VAL  41           HB       VAL  41   0.509   0.904   3.707
  305   1HG1  VAL  41          1HG1      VAL  41   2.633   1.152   2.530
  306   2HG1  VAL  41          2HG1      VAL  41   2.248   2.836   2.169
  307   3HG1  VAL  41          3HG1      VAL  41   1.274   1.539   1.473
  308   1HG2  VAL  41          1HG2      VAL  41   2.043   3.305   4.713
  309   2HG2  VAL  41          2HG2      VAL  41   2.492   1.618   4.973
  310   3HG2  VAL  41          3HG2      VAL  41   1.002   2.249   5.673
  311    H    GLU  42           H        GLU  42   0.197   4.830   4.844
  312    HA   GLU  42           HA       GLU  42   0.821   6.684   2.640
  313   1HB   GLU  42          2HB       GLU  42   0.349   8.484   4.212
  314   2HB   GLU  42          1HB       GLU  42  -0.997   7.349   4.183
  315   1HG   GLU  42          2HG       GLU  42  -0.127   6.307   6.246
  316   2HG   GLU  42          1HG       GLU  42   1.154   7.515   6.290
  317    H    CYS  43           H        CYS  43   2.795   7.715   2.516
  318    HA   CYS  43           HA       CYS  43   4.849   6.895   4.452
  319   1HB   CYS  43          2HB       CYS  43   6.489   7.719   2.824
  320   2HB   CYS  43          1HB       CYS  43   5.395   6.561   2.083
  321    HG   CYS  43           HG       CYS  43   5.203   8.103   0.032
  322    HA   PRO  44           HA       PRO  44   4.228  10.933   6.355
  323   1HB   PRO  44          2HB       PRO  44   6.017  10.644   8.371
  324   2HB   PRO  44          1HB       PRO  44   4.451   9.824   8.363
  325   1HG   PRO  44          2HG       PRO  44   7.145   8.757   7.567
  326   2HG   PRO  44          1HG       PRO  44   5.907   8.005   8.595
  327   1HD   PRO  44          2HD       PRO  44   6.202   7.340   5.992
  328   2HD   PRO  44          1HD       PRO  44   4.611   7.364   6.782
  329    H    TYR  45           H        TYR  45   6.507  10.242   4.252
  330    HA   TYR  45           HA       TYR  45   8.114  12.654   4.810
  331   1HB   TYR  45          2HB       TYR  45   8.845  10.038   3.531
  332   2HB   TYR  45          1HB       TYR  45   9.723  11.495   3.083
  333    HD1  TYR  45           HD1      TYR  45  11.082  12.690   4.755
  334    HD2  TYR  45           HD2      TYR  45   9.178   8.998   5.695
  335    HE1  TYR  45           HE1      TYR  45  12.545  12.440   6.714
  336    HE2  TYR  45           HE2      TYR  45  10.640   8.741   7.657
  337    HH   TYR  45           HH       TYR  45  13.046   9.633   8.285
  338    H    CYS  46           H        CYS  46   6.689  10.728   2.165
  339    HA   CYS  46           HA       CYS  46   6.844  13.101   0.424
  340   1HB   CYS  46          2HB       CYS  46   7.928  10.916  -0.269
  341   2HB   CYS  46          1HB       CYS  46   6.307  10.250  -0.423
  342    HG   CYS  46           HG       CYS  46   5.529  11.743  -2.536
  343    H    ASP  47           H        ASP  47   4.607  11.501   2.322
  344    HA   ASP  47           HA       ASP  47   2.358  11.668   2.597
  345   1HB   ASP  47          2HB       ASP  47   2.679  13.909   0.595
  346   2HB   ASP  47          1HB       ASP  47   1.169  13.555   1.428
  347    H    CYS  48           H        CYS  48   3.548  10.036   0.289
  348    HA   CYS  48           HA       CYS  48   1.438   9.935  -1.679
  349   1HB   CYS  48          2HB       CYS  48   3.665   7.934  -1.230
  350   2HB   CYS  48          1HB       CYS  48   2.698   8.132  -2.686
  351    HG   CYS  48           HG       CYS  48   3.835  10.456  -3.521
  352    H    LYS  49           H        LYS  49  -0.276   8.579  -1.760
  353    HA   LYS  49           HA       LYS  49  -0.720   6.748   0.502
  354   1HB   LYS  49          2HB       LYS  49  -2.445   8.447   0.078
  355   2HB   LYS  49          1HB       LYS  49  -2.644   7.854  -1.563
  356   1HG   LYS  49          2HG       LYS  49  -3.457   5.704  -0.678
  357   2HG   LYS  49          1HG       LYS  49  -3.279   6.327   0.964
  358   1HD   LYS  49          2HD       LYS  49  -4.908   8.092   0.480
  359   2HD   LYS  49          1HD       LYS  49  -5.074   7.499  -1.174
  360   1HE   LYS  49          2HE       LYS  49  -5.941   5.366  -0.309
  361   2HE   LYS  49          1HE       LYS  49  -5.775   5.972   1.338
  362   1HZ   LYS  49          1HZ       LYS  49  -8.040   6.189   0.567
  363   2HZ   LYS  49          2HZ       LYS  49  -7.538   7.116  -0.758
  364   3HZ   LYS  49          3HZ       LYS  49  -7.364   7.719   0.809
  365    H    TYR  50           H        TYR  50   0.300   4.838  -0.044
  366    HA   TYR  50           HA       TYR  50   0.283   3.874  -2.778
  367   1HB   TYR  50          2HB       TYR  50   1.439   2.592  -0.288
  368   2HB   TYR  50          1HB       TYR  50   1.761   2.107  -1.949
  369    HD1  TYR  50           HD2      TYR  50   2.965   3.749  -3.476
  370    HD2  TYR  50           HD1      TYR  50   2.704   4.306   0.740
  371    HE1  TYR  50           HE2      TYR  50   4.846   5.329  -3.570
  372    HE2  TYR  50           HE1      TYR  50   4.580   5.887   0.650
  373    HH   TYR  50           HH       TYR  50   5.765   7.178  -2.270
  374    H    VAL  51           H        VAL  51  -1.601   3.018  -3.441
  375    HA   VAL  51           HA       VAL  51  -3.154   1.269  -1.691
  376    HB   VAL  51           HB       VAL  51  -3.711   2.283  -4.493
  377   1HG1  VAL  51          1HG1      VAL  51  -4.764   0.106  -4.180
  378   2HG1  VAL  51          2HG1      VAL  51  -5.984   1.381  -4.184
  379   3HG1  VAL  51          3HG1      VAL  51  -5.478   0.646  -2.661
  380   1HG2  VAL  51          1HG2      VAL  51  -5.428   3.658  -3.394
  381   2HG2  VAL  51          2HG2      VAL  51  -3.815   4.026  -2.786
  382   3HG2  VAL  51          3HG2      VAL  51  -4.914   3.040  -1.823
  383    H    LEU  52           H        LEU  52  -3.021  -0.891  -1.745
  384    HA   LEU  52           HA       LEU  52  -1.252  -2.239  -3.542
  385   1HB   LEU  52          2HB       LEU  52  -1.538  -2.989  -1.242
  386   2HB   LEU  52          1HB       LEU  52  -3.235  -3.318  -1.534
  387    HG   LEU  52           HG       LEU  52  -2.623  -5.110  -3.114
  388   1HD1  LEU  52          1HD1      LEU  52  -0.492  -4.232  -3.900
  389   2HD1  LEU  52          2HD1      LEU  52  -0.301  -5.871  -3.279
  390   3HD1  LEU  52          3HD1      LEU  52   0.221  -4.495  -2.308
  391   1HD2  LEU  52          1HD2      LEU  52  -1.321  -5.365  -0.399
  392   2HD2  LEU  52          2HD2      LEU  52  -1.756  -6.703  -1.461
  393   3HD2  LEU  52          3HD2      LEU  52  -3.016  -5.677  -0.779
  394    H    LYS  53           H        LYS  53  -1.742  -2.649  -5.583
  395    HA   LYS  53           HA       LYS  53  -4.323  -2.558  -6.689
  396   1HB   LYS  53          2HB       LYS  53  -2.164  -2.147  -7.899
  397   2HB   LYS  53          1HB       LYS  53  -1.879  -3.883  -7.882
  398   1HG   LYS  53          2HG       LYS  53  -3.792  -4.278  -9.271
  399   2HG   LYS  53          1HG       LYS  53  -4.290  -2.588  -9.148
  400   1HD   LYS  53          2HD       LYS  53  -2.197  -1.925 -10.298
  401   2HD   LYS  53          1HD       LYS  53  -1.782  -3.631 -10.480
  402   1HE   LYS  53          2HE       LYS  53  -4.214  -2.259 -11.638
  403   2HE   LYS  53          1HE       LYS  53  -2.767  -2.729 -12.529
  404   1HZ   LYS  53          1HZ       LYS  53  -3.263  -5.054 -11.834
  405   2HZ   LYS  53          2HZ       LYS  53  -4.386  -4.382 -12.898
  406   3HZ   LYS  53          3HZ       LYS  53  -4.754  -4.511 -11.249
  407    H    GLY  54           H        GLY  54  -5.915  -4.016  -6.632
  408   1HA   GLY  54          2HA       GLY  54  -6.820  -6.215  -6.868
  409   2HA   GLY  54          1HA       GLY  54  -5.280  -6.883  -6.354
  410    H    SER  55           H        SER  55  -5.769  -4.416  -4.276
  411    HA   SER  55           HA       SER  55  -6.837  -6.185  -2.204
  412   1HB   SER  55          2HB       SER  55  -4.792  -4.889  -1.719
  413   2HB   SER  55          1HB       SER  55  -5.685  -3.389  -1.965
  414    HG   SER  55           HG       SER  55  -5.485  -4.857   0.252
  415    H    LYS  56           H        LYS  56  -8.096  -4.645  -0.436
  416    HA   LYS  56           HA       LYS  56 -10.672  -4.343  -1.644
  417   1HB   LYS  56          2HB       LYS  56  -9.827  -3.591   1.163
  418   2HB   LYS  56          1HB       LYS  56 -11.468  -3.899   0.600
  419   1HG   LYS  56          2HG       LYS  56 -10.745  -6.232   0.041
  420   2HG   LYS  56          1HG       LYS  56  -9.215  -5.883   0.844
  421   1HD   LYS  56          2HD       LYS  56 -10.450  -5.400   2.929
  422   2HD   LYS  56          1HD       LYS  56 -11.959  -5.818   2.111
  423   1HE   LYS  56          2HE       LYS  56  -9.617  -7.642   2.669
  424   2HE   LYS  56          1HE       LYS  56 -11.223  -7.717   3.392
  425   1HZ   LYS  56          1HZ       LYS  56 -12.138  -8.250   1.214
  426   2HZ   LYS  56          2HZ       LYS  56 -10.958  -9.378   1.660
  427   3HZ   LYS  56          3HZ       LYS  56 -10.597  -8.181   0.525
  428    H    ALA  57           H        ALA  57  -8.083  -2.185  -1.244
  429    HA   ALA  57           HA       ALA  57  -9.774   0.195  -1.459
  430   1HB   ALA  57          1HB       ALA  57  -7.814   0.322  -0.009
  431   2HB   ALA  57          2HB       ALA  57  -7.667   1.449  -1.357
  432   3HB   ALA  57          3HB       ALA  57  -6.764  -0.066  -1.371
  433    H    ASP  58           H        ASP  58  -8.763  -2.129  -3.515
  434    HA   ASP  58           HA       ASP  58  -8.610  -0.312  -5.833
  435   1HB   ASP  58          2HB       ASP  58  -6.392  -1.342  -5.190
  436   2HB   ASP  58          1HB       ASP  58  -7.088  -2.923  -5.527
  437    H    ALA  59           H        ALA  59  -8.653  -2.387  -7.806
  438    HA   ALA  59           HA       ALA  59 -10.009  -3.796  -8.954
  439   1HB   ALA  59          1HB       ALA  59 -11.525  -5.297  -7.798
  440   2HB   ALA  59          2HB       ALA  59 -11.392  -4.343  -6.322
  441   3HB   ALA  59          3HB       ALA  59  -9.988  -5.220  -6.934
  442    H    LEU  60           H        LEU  60 -10.501  -1.139  -9.080
  443    HA   LEU  60           HA       LEU  60 -13.197  -0.417  -8.539
  444   1HB   LEU  60          2HB       LEU  60 -11.187   0.838 -10.414
  445   2HB   LEU  60          1HB       LEU  60 -12.739   1.542 -10.001
  446    HG   LEU  60           HG       LEU  60 -11.909   1.457  -7.552
  447   1HD1  LEU  60          1HD1      LEU  60  -9.456   1.644  -7.309
  448   2HD1  LEU  60          2HD1      LEU  60  -9.280   1.144  -8.991
  449   3HD1  LEU  60          3HD1      LEU  60  -9.989   0.042  -7.812
  450   1HD2  LEU  60          1HD2      LEU  60 -10.790   3.621  -7.785
  451   2HD2  LEU  60          2HD2      LEU  60 -12.226   3.526  -8.803
  452   3HD2  LEU  60          3HD2      LEU  60 -10.624   3.352  -9.521
  453    H    GLU  61           H        GLU  61 -11.699  -2.124 -11.144
  454    HA   GLU  61           HA       GLU  61 -13.847  -1.817 -13.028
  455   1HB   GLU  61          2HB       GLU  61 -11.609  -3.854 -12.842
  456   2HB   GLU  61          1HB       GLU  61 -12.762  -3.784 -14.167
  457   1HG   GLU  61          2HG       GLU  61 -11.984  -1.494 -14.682
  458   2HG   GLU  61          1HG       GLU  61 -10.778  -1.643 -13.404
  459    H    HIS  62           H        HIS  62 -15.317  -2.280 -10.974
  460    HA   HIS  62           HA       HIS  62 -15.604  -4.938 -10.037
  461   1HB   HIS  62          2HB       HIS  62 -16.369  -2.919  -8.802
  462   2HB   HIS  62          1HB       HIS  62 -17.615  -2.665 -10.015
  463    HD1  HIS  62           HD1      HIS  62 -19.792  -3.884  -9.688
  464    HD2  HIS  62           HD2      HIS  62 -16.787  -5.271  -7.177
  465    HE1  HIS  62           HE1      HIS  62 -20.924  -5.427  -8.071
  466    HE2  HIS  62           HE2      HIS  62 -19.120  -6.118  -6.464
  467    H    HIS  63           H        HIS  63 -16.805  -3.202 -12.772
  468    HA   HIS  63           HA       HIS  63 -18.806  -5.139 -13.482
  469   1HB   HIS  63          2HB       HIS  63 -19.107  -3.799 -15.507
  470   2HB   HIS  63          1HB       HIS  63 -19.061  -2.764 -14.086
  471    HD1  HIS  63           HD1      HIS  63 -17.105  -1.105 -13.891
  472    HD2  HIS  63           HD2      HIS  63 -16.919  -3.509 -17.274
  473    HE1  HIS  63           HE1      HIS  63 -15.299  -0.117 -15.318
  474    HE2  HIS  63           HE2      HIS  63 -15.075  -1.695 -17.259
  475    H    HIS  64           H        HIS  64 -15.414  -4.791 -14.039
  476    HA   HIS  64           HA       HIS  64 -15.493  -6.757 -16.247
  477   1HB   HIS  64          2HB       HIS  64 -14.662  -4.577 -16.989
  478   2HB   HIS  64          1HB       HIS  64 -13.461  -4.572 -15.704
  479    HD1  HIS  64           HD1      HIS  64 -11.222  -5.101 -16.578
  480    HD2  HIS  64           HD2      HIS  64 -14.184  -7.119 -18.679
  481    HE1  HIS  64           HE1      HIS  64 -10.020  -6.418 -18.334
  482    HE2  HIS  64           HE2      HIS  64 -11.805  -7.796 -19.435
  483    H    HIS  65           H        HIS  65 -15.043  -8.710 -15.386
  484    HA   HIS  65           HA       HIS  65 -13.159  -8.898 -13.136
  485   1HB   HIS  65          2HB       HIS  65 -15.031 -11.017 -14.212
  486   2HB   HIS  65          1HB       HIS  65 -14.138 -11.070 -12.695
  487    HD1  HIS  65           HD1      HIS  65 -17.407 -10.536 -13.814
  488    HD2  HIS  65           HD2      HIS  65 -14.990  -8.547 -11.086
  489    HE1  HIS  65           HE1      HIS  65 -18.973  -9.230 -12.362
  490    HE2  HIS  65           HE2      HIS  65 -17.480  -7.894 -10.847
  491    H    HIS  66           H        HIS  66 -13.788 -10.485 -16.284
  492    HA   HIS  66           HA       HIS  66 -11.351 -11.966 -16.292
  493   1HB   HIS  66          2HB       HIS  66 -13.184 -12.706 -17.677
  494   2HB   HIS  66          1HB       HIS  66 -13.223 -11.169 -18.532
  495    HD1  HIS  66           HD1      HIS  66 -11.840 -11.007 -20.612
  496    HD2  HIS  66           HD2      HIS  66 -10.787 -14.278 -18.272
  497    HE1  HIS  66           HE1      HIS  66 -10.192 -12.313 -21.980
  498    HE2  HIS  66           HE2      HIS  66  -9.530 -14.256 -20.533
  499    H    HIS  67           H        HIS  67  -9.513 -10.809 -16.027
  500    HA   HIS  67           HA       HIS  67  -9.147  -8.310 -17.521
  501   1HB   HIS  67          2HB       HIS  67  -7.083  -8.108 -15.999
  502   2HB   HIS  67          1HB       HIS  67  -8.667  -7.961 -15.248
  503    HD1  HIS  67           HD1      HIS  67  -5.891 -10.515 -15.675
  504    HD2  HIS  67           HD2      HIS  67  -9.125  -9.709 -13.192
  505    HE1  HIS  67           HE1      HIS  67  -5.716 -12.160 -13.789
  506    HE2  HIS  67           HE2      HIS  67  -7.605 -11.576 -12.239
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1   4.492  23.934  -4.856
    2   2H    MET   1          2H        MET   1   4.153  22.330  -5.254
    3   3H    MET   1          3H        MET   1   3.099  23.185  -4.244
    4    HA   MET   1           HA       MET   1   2.538  24.688  -6.027
    5   1HB   MET   1          2HB       MET   1   4.479  22.975  -7.581
    6   2HB   MET   1          1HB       MET   1   3.285  24.002  -8.369
    7   1HG   MET   1          2HG       MET   1   5.515  25.051  -8.197
    8   2HG   MET   1          1HG       MET   1   4.249  25.973  -7.383
    9   1HE   MET   1          1HE       MET   1   5.807  27.410  -5.883
   10   2HE   MET   1          2HE       MET   1   7.176  26.728  -6.761
   11   3HE   MET   1          3HE       MET   1   7.190  26.764  -4.999
   12    H    THR   2           H        THR   2   2.651  21.248  -5.606
   13    HA   THR   2           HA       THR   2   0.267  20.734  -7.166
   14    HB   THR   2           HB       THR   2   0.248  18.512  -5.965
   15    HG1  THR   2           HG1      THR   2   1.609  18.109  -4.392
   16   1HG2  THR   2          1HG2      THR   2   2.264  17.635  -7.068
   17   2HG2  THR   2          2HG2      THR   2   2.867  19.278  -7.283
   18   3HG2  THR   2          3HG2      THR   2   1.400  18.762  -8.117
   19    H    ILE   3           H        ILE   3  -1.814  20.262  -6.326
   20    HA   ILE   3           HA       ILE   3  -2.697  21.869  -4.181
   21    HB   ILE   3           HB       ILE   3  -4.021  19.573  -5.641
   22   1HG1  ILE   3          2HG1      ILE   3  -5.493  21.426  -6.501
   23   2HG1  ILE   3          1HG1      ILE   3  -4.448  22.578  -5.681
   24   1HG2  ILE   3          1HG2      ILE   3  -6.146  20.206  -4.556
   25   2HG2  ILE   3          2HG2      ILE   3  -5.260  21.301  -3.494
   26   3HG2  ILE   3          3HG2      ILE   3  -4.970  19.563  -3.412
   27   1HD1  ILE   3          1HD1      ILE   3  -3.631  20.721  -7.910
   28   2HD1  ILE   3          2HD1      ILE   3  -2.578  21.878  -7.096
   29   3HD1  ILE   3          3HD1      ILE   3  -3.944  22.452  -8.051
   30    H    GLN   4           H        GLN   4  -1.417  18.668  -4.298
   31    HA   GLN   4           HA       GLN   4  -0.893  17.115  -2.769
   32   1HB   GLN   4          2HB       GLN   4  -0.987  19.572  -1.031
   33   2HB   GLN   4          1HB       GLN   4  -0.678  17.997  -0.317
   34   1HG   GLN   4          2HG       GLN   4   0.973  19.277  -2.497
   35   2HG   GLN   4          1HG       GLN   4   1.387  19.241  -0.783
   36   1HE2  GLN   4          1HE2      GLN   4   2.856  18.145  -3.040
   37   2HE2  GLN   4          2HE2      GLN   4   3.013  16.452  -2.744
   38    H    ALA   5           H        ALA   5  -2.878  16.016  -3.206
   39    HA   ALA   5           HA       ALA   5  -4.311  15.334  -0.857
   40   1HB   ALA   5          1HB       ALA   5  -6.567  16.044  -1.500
   41   2HB   ALA   5          2HB       ALA   5  -5.908  16.877  -2.906
   42   3HB   ALA   5          3HB       ALA   5  -5.490  17.426  -1.285
   43    HA   PRO   6           HA       PRO   6  -5.783  12.519  -4.372
   44   1HB   PRO   6          2HB       PRO   6  -5.723  13.194  -6.947
   45   2HB   PRO   6          1HB       PRO   6  -6.901  13.938  -5.858
   46   1HG   PRO   6          2HG       PRO   6  -4.350  15.062  -6.940
   47   2HG   PRO   6          1HG       PRO   6  -5.903  15.870  -6.658
   48   1HD   PRO   6          2HD       PRO   6  -3.673  15.912  -4.937
   49   2HD   PRO   6          1HD       PRO   6  -5.324  16.411  -4.525
   50    H    GLU   7           H        GLU   7  -2.922  13.070  -3.644
   51    HA   GLU   7           HA       GLU   7  -1.438  11.933  -5.891
   52   1HB   GLU   7          2HB       GLU   7  -0.528  13.187  -3.297
   53   2HB   GLU   7          1HB       GLU   7   0.576  12.452  -4.457
   54   1HG   GLU   7          2HG       GLU   7  -0.117  14.036  -6.165
   55   2HG   GLU   7          1HG       GLU   7  -1.300  14.735  -5.063
   56    H    THR   8           H        THR   8  -2.146   9.859  -5.877
   57    HA   THR   8           HA       THR   8  -1.258   8.147  -3.642
   58    HB   THR   8           HB       THR   8  -3.787   7.824  -5.290
   59    HG1  THR   8           HG1      THR   8  -4.840   8.493  -3.506
   60   1HG2  THR   8          1HG2      THR   8  -2.771   5.649  -4.759
   61   2HG2  THR   8          2HG2      THR   8  -4.273   5.892  -3.870
   62   3HG2  THR   8          3HG2      THR   8  -2.723   6.090  -3.052
   63    H    LYS   9           H        LYS   9  -0.504   6.039  -4.232
   64    HA   LYS   9           HA       LYS   9   0.242   5.790  -7.082
   65   1HB   LYS   9          2HB       LYS   9   1.892   5.082  -4.640
   66   2HB   LYS   9          1HB       LYS   9   2.345   4.689  -6.295
   67   1HG   LYS   9          2HG       LYS   9   2.463   7.055  -6.850
   68   2HG   LYS   9          1HG       LYS   9   1.934   7.479  -5.222
   69   1HD   LYS   9          2HD       LYS   9   3.961   6.433  -4.298
   70   2HD   LYS   9          1HD       LYS   9   4.488   6.017  -5.930
   71   1HE   LYS   9          2HE       LYS   9   4.561   8.414  -6.496
   72   2HE   LYS   9          1HE       LYS   9   4.068   8.808  -4.851
   73   1HZ   LYS   9          1HZ       LYS   9   6.492   8.987  -5.262
   74   2HZ   LYS   9          2HZ       LYS   9   6.549   7.317  -5.521
   75   3HZ   LYS   9          3HZ       LYS   9   6.107   7.922  -4.009
   76    H    ILE  10           H        ILE  10  -0.356   3.964  -8.046
   77    HA   ILE  10           HA       ILE  10  -1.631   1.867  -6.448
   78    HB   ILE  10           HB       ILE  10  -1.509   2.107  -9.466
   79   1HG1  ILE  10          2HG1      ILE  10  -2.598   4.083  -8.487
   80   2HG1  ILE  10          1HG1      ILE  10  -3.762   3.074  -9.336
   81   1HG2  ILE  10          1HG2      ILE  10  -3.429   0.591  -9.432
   82   2HG2  ILE  10          2HG2      ILE  10  -3.341   0.507  -7.671
   83   3HG2  ILE  10          3HG2      ILE  10  -2.025  -0.140  -8.653
   84   1HD1  ILE  10          1HD1      ILE  10  -4.670   3.926  -7.257
   85   2HD1  ILE  10          2HD1      ILE  10  -3.356   3.174  -6.355
   86   3HD1  ILE  10          3HD1      ILE  10  -4.531   2.169  -7.205
   87    H    VAL  11           H        VAL  11  -0.107   0.511  -5.618
   88    HA   VAL  11           HA       VAL  11   2.172  -0.298  -7.294
   89    HB   VAL  11           HB       VAL  11   3.215  -1.085  -5.207
   90   1HG1  VAL  11          1HG1      VAL  11   3.574   1.228  -5.938
   91   2HG1  VAL  11          2HG1      VAL  11   3.576   1.111  -4.178
   92   3HG1  VAL  11          3HG1      VAL  11   2.161   1.744  -5.018
   93   1HG2  VAL  11          1HG2      VAL  11   1.208  -1.738  -3.985
   94   2HG2  VAL  11          2HG2      VAL  11   0.702  -0.052  -3.877
   95   3HG2  VAL  11          3HG2      VAL  11   2.155  -0.594  -3.036
   96    H    ASP  12           H        ASP  12   2.901  -2.496  -7.308
   97    HA   ASP  12           HA       ASP  12   0.732  -4.445  -7.346
   98   1HB   ASP  12          2HB       ASP  12   3.624  -4.690  -8.224
   99   2HB   ASP  12          1HB       ASP  12   2.372  -5.901  -8.484
  100    H    LYS  13           H        LYS  13   3.684  -3.764  -5.569
  101    HA   LYS  13           HA       LYS  13   3.640  -6.336  -4.196
  102   1HB   LYS  13          2HB       LYS  13   5.552  -4.001  -4.032
  103   2HB   LYS  13          1HB       LYS  13   5.726  -5.486  -3.105
  104   1HG   LYS  13          2HG       LYS  13   5.895  -6.749  -5.224
  105   2HG   LYS  13          1HG       LYS  13   5.808  -5.227  -6.109
  106   1HD   LYS  13          2HD       LYS  13   7.862  -4.461  -5.030
  107   2HD   LYS  13          1HD       LYS  13   7.937  -5.950  -4.087
  108   1HE   LYS  13          2HE       LYS  13   9.460  -6.037  -5.997
  109   2HE   LYS  13          1HE       LYS  13   8.188  -7.250  -6.139
  110   1HZ   LYS  13          1HZ       LYS  13   8.169  -4.620  -7.511
  111   2HZ   LYS  13          2HZ       LYS  13   7.038  -5.863  -7.704
  112   3HZ   LYS  13          3HZ       LYS  13   8.629  -6.078  -8.229
  113    H    SER  14           H        SER  14   3.458  -6.607  -1.969
  114    HA   SER  14           HA       SER  14   1.901  -4.666  -0.510
  115   1HB   SER  14          2HB       SER  14   3.195  -7.233   0.466
  116   2HB   SER  14          1HB       SER  14   1.985  -6.291   1.335
  117    HG   SER  14           HG       SER  14   0.770  -7.759   0.353
  118    H    ARG  15           H        ARG  15   5.257  -5.582  -0.743
  119    HA   ARG  15           HA       ARG  15   6.070  -3.863   1.478
  120   1HB   ARG  15          2HB       ARG  15   7.677  -5.515  -0.485
  121   2HB   ARG  15          1HB       ARG  15   8.374  -4.584   0.835
  122   1HG   ARG  15          2HG       ARG  15   7.316  -5.967   2.469
  123   2HG   ARG  15          1HG       ARG  15   6.363  -6.788   1.233
  124   1HD   ARG  15          2HD       ARG  15   8.236  -8.178   1.961
  125   2HD   ARG  15          1HD       ARG  15   8.411  -7.721   0.267
  126    HE   ARG  15           HE       ARG  15   9.794  -6.061   2.214
  127   1HH1  ARG  15          1HH1      ARG  15   9.994  -8.616  -0.095
  128   2HH1  ARG  15          2HH1      ARG  15  11.720  -8.525  -0.188
  129   1HH2  ARG  15          1HH2      ARG  15  11.995  -5.942   2.045
  130   2HH2  ARG  15          2HH2      ARG  15  12.829  -7.034   0.992
  131    H    VAL  16           H        VAL  16   6.031  -1.732   1.063
  132    HA   VAL  16           HA       VAL  16   6.835  -0.795  -1.622
  133    HB   VAL  16           HB       VAL  16   4.989   0.580   0.341
  134   1HG1  VAL  16          1HG1      VAL  16   4.495   2.105  -1.532
  135   2HG1  VAL  16          2HG1      VAL  16   5.730   1.301  -2.500
  136   3HG1  VAL  16          3HG1      VAL  16   6.188   2.183  -1.043
  137   1HG2  VAL  16          1HG2      VAL  16   3.200   0.030  -1.263
  138   2HG2  VAL  16          2HG2      VAL  16   3.940  -1.412  -0.570
  139   3HG2  VAL  16          3HG2      VAL  16   4.351  -0.912  -2.211
  140    H    ALA  17           H        ALA  17   8.779   0.150  -1.661
  141    HA   ALA  17           HA       ALA  17   9.978   1.355   0.666
  142   1HB   ALA  17          1HB       ALA  17  11.339   0.215  -1.037
  143   2HB   ALA  17          2HB       ALA  17  11.840   1.891  -0.812
  144   3HB   ALA  17          3HB       ALA  17  10.878   1.439  -2.222
  145    H    CYS  18           H        CYS  18   9.099   3.209   1.393
  146    HA   CYS  18           HA       CYS  18   7.541   4.918  -0.274
  147   1HB   CYS  18          2HB       CYS  18   8.485   5.325   2.568
  148   2HB   CYS  18          1HB       CYS  18   7.255   6.289   1.756
  149    HG   CYS  18           HG       CYS  18   6.633   2.996   1.727
  150    H    ASP  19           H        ASP  19   9.030   5.584  -1.882
  151    HA   ASP  19           HA       ASP  19  10.625   6.911  -2.858
  152   1HB   ASP  19          2HB       ASP  19   9.160   8.833  -1.046
  153   2HB   ASP  19          1HB       ASP  19  10.238   9.345  -2.342
  154    H    GLY  20           H        GLY  20  12.319   5.635  -1.627
  155   1HA   GLY  20          2HA       GLY  20  14.089   7.546  -0.352
  156   2HA   GLY  20          1HA       GLY  20  13.501   6.277   0.703
  157    H    GLY  21           H        GLY  21  16.190   6.910  -0.088
  158   1HA   GLY  21          2HA       GLY  21  17.123   4.248  -0.630
  159   2HA   GLY  21          1HA       GLY  21  17.448   5.362  -1.955
  160    H    GLU  22           H        GLU  22  19.623   5.730  -1.803
  161    HA   GLU  22           HA       GLU  22  20.828   6.365   0.771
  162   1HB   GLU  22          2HB       GLU  22  21.951   6.173  -2.029
  163   2HB   GLU  22          1HB       GLU  22  22.916   6.655  -0.639
  164   1HG   GLU  22          2HG       GLU  22  22.656   4.540   0.397
  165   2HG   GLU  22          1HG       GLU  22  21.406   4.056  -0.750
  166    H    GLY  23           H        GLY  23  20.784   8.329   1.597
  167   1HA   GLY  23          2HA       GLY  23  20.460  10.601   1.819
  168   2HA   GLY  23          1HA       GLY  23  21.795  10.653   0.692
  169    H    ALA  24           H        ALA  24  21.399  11.164  -1.485
  170    HA   ALA  24           HA       ALA  24  19.392  13.123  -1.828
  171   1HB   ALA  24          1HB       ALA  24  20.250  13.360  -4.088
  172   2HB   ALA  24          2HB       ALA  24  21.117  11.831  -3.941
  173   3HB   ALA  24          3HB       ALA  24  21.576  13.207  -2.938
  174    H    LEU  25           H        LEU  25  19.269   9.733  -2.349
  175    HA   LEU  25           HA       LEU  25  17.254   9.773  -4.409
  176   1HB   LEU  25          2HB       LEU  25  18.161   7.514  -2.613
  177   2HB   LEU  25          1HB       LEU  25  17.126   7.341  -4.020
  178    HG   LEU  25           HG       LEU  25  20.010   8.261  -4.050
  179   1HD1  LEU  25          1HD1      LEU  25  19.795   5.886  -3.584
  180   2HD1  LEU  25          2HD1      LEU  25  20.434   6.144  -5.206
  181   3HD1  LEU  25          3HD1      LEU  25  18.745   5.682  -4.987
  182   1HD2  LEU  25          1HD2      LEU  25  19.807   8.153  -6.496
  183   2HD2  LEU  25          2HD2      LEU  25  18.727   9.361  -5.803
  184   3HD2  LEU  25          3HD2      LEU  25  18.083   7.807  -6.337
  185    H    GLY  26           H        GLY  26  17.079  10.542  -1.192
  186   1HA   GLY  26          2HA       GLY  26  14.731  11.301  -0.636
  187   2HA   GLY  26          1HA       GLY  26  14.263   9.641  -0.966
  188    H    HIS  27           H        HIS  27  13.707   8.738   0.925
  189    HA   HIS  27           HA       HIS  27  15.114   9.426   3.402
  190   1HB   HIS  27          2HB       HIS  27  13.067   7.228   3.168
  191   2HB   HIS  27          1HB       HIS  27  13.384   8.309   4.526
  192    HD1  HIS  27           HD1      HIS  27  11.317   7.907   1.544
  193    HD2  HIS  27           HD2      HIS  27  12.382  11.022   4.077
  194    HE1  HIS  27           HE1      HIS  27   9.763   9.765   0.996
  195    HE2  HIS  27           HE2      HIS  27  10.293  11.582   2.658
  196    HA   PRO  28           HA       PRO  28  18.083   6.113   3.383
  197   1HB   PRO  28          2HB       PRO  28  17.422   5.470   6.206
  198   2HB   PRO  28          1HB       PRO  28  18.951   6.004   5.499
  199   1HG   PRO  28          2HG       PRO  28  17.483   7.660   6.987
  200   2HG   PRO  28          1HG       PRO  28  18.341   8.248   5.550
  201   1HD   PRO  28          2HD       PRO  28  15.430   7.572   5.873
  202   2HD   PRO  28          1HD       PRO  28  16.176   8.962   5.054
  203    H    ARG  29           H        ARG  29  16.148   5.012   2.072
  204    HA   ARG  29           HA       ARG  29  14.985   3.223   1.462
  205   1HB   ARG  29          2HB       ARG  29  17.384   2.385   1.595
  206   2HB   ARG  29          1HB       ARG  29  16.903   1.592   3.089
  207   1HG   ARG  29          2HG       ARG  29  16.710   0.015   1.306
  208   2HG   ARG  29          1HG       ARG  29  15.086   0.438   1.819
  209   1HD   ARG  29          2HD       ARG  29  14.901   2.007  -0.045
  210   2HD   ARG  29          1HD       ARG  29  16.539   1.616  -0.555
  211    HE   ARG  29           HE       ARG  29  14.526  -0.508  -0.478
  212   1HH1  ARG  29          1HH1      ARG  29  16.696   1.473  -2.264
  213   2HH1  ARG  29          2HH1      ARG  29  16.410   0.648  -3.753
  214   1HH2  ARG  29          1HH2      ARG  29  14.172  -1.579  -2.416
  215   2HH2  ARG  29          2HH2      ARG  29  14.979  -1.042  -3.842
  216    H    VAL  30           H        VAL  30  13.210   3.782   2.534
  217    HA   VAL  30           HA       VAL  30  12.613   2.432   5.088
  218    HB   VAL  30           HB       VAL  30  10.683   4.014   5.273
  219   1HG1  VAL  30          1HG1      VAL  30  13.421   5.272   4.993
  220   2HG1  VAL  30          2HG1      VAL  30  12.790   4.451   6.423
  221   3HG1  VAL  30          3HG1      VAL  30  12.059   5.960   5.878
  222   1HG2  VAL  30          1HG2      VAL  30  10.666   6.019   3.831
  223   2HG2  VAL  30          2HG2      VAL  30  10.363   4.542   2.916
  224   3HG2  VAL  30          3HG2      VAL  30  11.948   5.312   2.849
  225    H    TRP  31           H        TRP  31  11.538   0.576   4.947
  226    HA   TRP  31           HA       TRP  31   9.704   0.099   2.691
  227   1HB   TRP  31          2HB       TRP  31  11.023  -1.806   4.638
  228   2HB   TRP  31          1HB       TRP  31   9.818  -2.305   3.456
  229    HD1  TRP  31           HD1      TRP  31  13.481  -1.326   3.767
  230    HE1  TRP  31           HE1      TRP  31  14.662  -1.836   1.540
  231    HE3  TRP  31           HE3      TRP  31   9.382  -2.406   0.902
  232    HZ2  TRP  31           HZ2      TRP  31  13.951  -2.581  -1.088
  233    HZ3  TRP  31           HZ3      TRP  31   9.720  -3.010  -1.461
  234    HH2  TRP  31           HH2      TRP  31  11.961  -3.095  -2.433
  235    H    LEU  32           H        LEU  32   7.566   0.244   3.020
  236    HA   LEU  32           HA       LEU  32   6.501  -0.364   5.711
  237   1HB   LEU  32          2HB       LEU  32   5.554   1.607   3.633
  238   2HB   LEU  32          1HB       LEU  32   4.474   1.016   4.880
  239    HG   LEU  32           HG       LEU  32   6.095   1.903   6.598
  240   1HD1  LEU  32          1HD1      LEU  32   7.705   3.614   5.889
  241   2HD1  LEU  32          2HD1      LEU  32   7.364   3.228   4.201
  242   3HD1  LEU  32          3HD1      LEU  32   8.105   2.021   5.250
  243   1HD2  LEU  32          1HD2      LEU  32   5.376   4.228   6.359
  244   2HD2  LEU  32          2HD2      LEU  32   4.059   3.108   6.014
  245   3HD2  LEU  32          3HD2      LEU  32   4.899   3.914   4.689
  246    H    GLN  33           H        GLN  33   5.004  -1.930   5.908
  247    HA   GLN  33           HA       GLN  33   4.308  -3.495   3.534
  248   1HB   GLN  33          2HB       GLN  33   5.231  -4.760   5.348
  249   2HB   GLN  33          1HB       GLN  33   4.124  -4.037   6.505
  250   1HG   GLN  33          2HG       GLN  33   3.407  -6.263   6.088
  251   2HG   GLN  33          1HG       GLN  33   2.248  -5.175   5.333
  252   1HE2  GLN  33          1HE2      GLN  33   5.396  -5.967   3.974
  253   2HE2  GLN  33          2HE2      GLN  33   4.779  -6.857   2.629
  254    H    ILE  34           H        ILE  34   2.431  -3.083   2.531
  255    HA   ILE  34           HA       ILE  34   0.353  -1.487   3.549
  256    HB   ILE  34           HB       ILE  34   0.337  -3.469   1.263
  257   1HG1  ILE  34          2HG1      ILE  34   0.566  -0.443   1.305
  258   2HG1  ILE  34          1HG1      ILE  34   1.900  -1.557   1.036
  259   1HG2  ILE  34          1HG2      ILE  34  -1.700  -2.337   0.479
  260   2HG2  ILE  34          2HG2      ILE  34  -1.726  -1.368   1.952
  261   3HG2  ILE  34          3HG2      ILE  34  -1.949  -3.115   2.042
  262   1HD1  ILE  34          1HD1      ILE  34  -0.510  -1.241  -0.738
  263   2HD1  ILE  34          2HD1      ILE  34   0.857  -2.324  -1.018
  264   3HD1  ILE  34          3HD1      ILE  34   1.095  -0.577  -1.036
  265    HA   PRO  35           HA       PRO  35  -1.690  -4.612   6.068
  266   1HB   PRO  35          2HB       PRO  35  -3.448  -3.007   7.277
  267   2HB   PRO  35          1HB       PRO  35  -1.717  -2.884   7.622
  268   1HG   PRO  35          2HG       PRO  35  -3.403  -1.203   5.797
  269   2HG   PRO  35          1HG       PRO  35  -2.209  -0.678   6.994
  270   1HD   PRO  35          2HD       PRO  35  -1.683  -0.910   4.310
  271   2HD   PRO  35          1HD       PRO  35  -0.442  -1.075   5.570
  272    H    GLU  36           H        GLU  36  -3.453  -5.940   5.745
  273    HA   GLU  36           HA       GLU  36  -5.064  -5.568   3.413
  274   1HB   GLU  36          2HB       GLU  36  -4.388  -7.801   4.195
  275   2HB   GLU  36          1HB       GLU  36  -5.352  -7.592   5.652
  276   1HG   GLU  36          2HG       GLU  36  -7.384  -7.457   4.275
  277   2HG   GLU  36          1HG       GLU  36  -6.409  -7.690   2.827
  278    H    ASP  37           H        ASP  37  -5.548  -4.912   6.808
  279    HA   ASP  37           HA       ASP  37  -8.351  -4.739   6.857
  280   1HB   ASP  37          2HB       ASP  37  -7.940  -3.219   8.860
  281   2HB   ASP  37          1HB       ASP  37  -7.244  -4.832   8.937
  282    H    THR  38           H        THR  38  -5.975  -2.512   5.619
  283    HA   THR  38           HA       THR  38  -8.102  -0.525   5.076
  284    HB   THR  38           HB       THR  38  -6.354   1.118   4.678
  285    HG1  THR  38           HG1      THR  38  -4.130   0.464   5.056
  286   1HG2  THR  38          1HG2      THR  38  -7.040   0.825   7.008
  287   2HG2  THR  38          2HG2      THR  38  -5.332   1.254   6.905
  288   3HG2  THR  38          3HG2      THR  38  -5.805  -0.416   7.222
  289    H    GLY  39           H        GLY  39  -5.239  -2.009   3.562
  290   1HA   GLY  39          2HA       GLY  39  -5.200  -2.919   1.351
  291   2HA   GLY  39          1HA       GLY  39  -6.563  -1.893   0.927
  292    H    TRP  40           H        TRP  40  -4.481  -0.086   2.736
  293    HA   TRP  40           HA       TRP  40  -2.705   0.760   0.605
  294   1HB   TRP  40          2HB       TRP  40  -3.538   3.143   0.723
  295   2HB   TRP  40          1HB       TRP  40  -4.649   2.011  -0.041
  296    HD1  TRP  40           HD1      TRP  40  -7.026   1.778   0.992
  297    HE1  TRP  40           HE1      TRP  40  -8.245   2.866   2.973
  298    HE3  TRP  40           HE3      TRP  40  -3.055   4.123   3.204
  299    HZ2  TRP  40           HZ2      TRP  40  -7.615   4.498   5.174
  300    HZ3  TRP  40           HZ3      TRP  40  -3.455   5.421   5.251
  301    HH2  TRP  40           HH2      TRP  40  -5.687   5.606   6.215
  302    H    VAL  41           H        VAL  41  -1.173   2.428   1.314
  303    HA   VAL  41           HA       VAL  41  -1.154   3.031   4.180
  304    HB   VAL  41           HB       VAL  41   0.291   1.060   3.971
  305   1HG1  VAL  41          1HG1      VAL  41   2.350   1.093   2.664
  306   2HG1  VAL  41          2HG1      VAL  41   1.956   2.700   2.052
  307   3HG1  VAL  41          3HG1      VAL  41   0.945   1.322   1.620
  308   1HG2  VAL  41          1HG2      VAL  41   1.900   3.573   4.456
  309   2HG2  VAL  41          2HG2      VAL  41   2.295   1.955   5.036
  310   3HG2  VAL  41          3HG2      VAL  41   0.853   2.778   5.633
  311    H    GLU  42           H        GLU  42  -1.037   5.188   4.358
  312    HA   GLU  42           HA       GLU  42   0.408   6.706   2.295
  313   1HB   GLU  42          2HB       GLU  42  -0.715   8.712   3.290
  314   2HB   GLU  42          1HB       GLU  42  -1.805   7.533   2.582
  315   1HG   GLU  42          2HG       GLU  42  -2.212   6.657   4.901
  316   2HG   GLU  42          1HG       GLU  42  -1.304   8.045   5.505
  317    H    CYS  43           H        CYS  43   2.455   7.091   2.710
  318    HA   CYS  43           HA       CYS  43   3.504   6.424   5.301
  319   1HB   CYS  43          2HB       CYS  43   4.665   5.699   3.303
  320   2HB   CYS  43          1HB       CYS  43   4.883   7.365   2.787
  321    HG   CYS  43           HG       CYS  43   6.872   5.535   4.564
  322    HA   PRO  44           HA       PRO  44   3.801  10.623   6.895
  323   1HB   PRO  44          2HB       PRO  44   5.311  10.038   9.084
  324   2HB   PRO  44          1HB       PRO  44   3.579   9.696   8.994
  325   1HG   PRO  44          2HG       PRO  44   5.895   7.841   8.534
  326   2HG   PRO  44          1HG       PRO  44   4.412   7.564   9.468
  327   1HD   PRO  44          2HD       PRO  44   4.717   6.617   6.961
  328   2HD   PRO  44          1HD       PRO  44   3.142   7.160   7.575
  329    H    TYR  45           H        TYR  45   6.388   8.594   5.860
  330    HA   TYR  45           HA       TYR  45   8.470  10.580   6.225
  331   1HB   TYR  45          2HB       TYR  45   8.542   7.918   4.778
  332   2HB   TYR  45          1HB       TYR  45   9.941   8.921   5.148
  333    HD1  TYR  45           HD2      TYR  45  10.576   9.277   7.567
  334    HD2  TYR  45           HD1      TYR  45   7.650   6.412   6.388
  335    HE1  TYR  45           HE2      TYR  45  10.810   8.146   9.738
  336    HE2  TYR  45           HE1      TYR  45   7.876   5.281   8.556
  337    HH   TYR  45           HH       TYR  45   9.463   6.667  11.197
  338    H    CYS  46           H        CYS  46   6.655   9.188   3.487
  339    HA   CYS  46           HA       CYS  46   7.973  11.057   1.637
  340   1HB   CYS  46          2HB       CYS  46   6.993   9.746  -0.150
  341   2HB   CYS  46          1HB       CYS  46   7.763   8.659   1.002
  342    HG   CYS  46           HG       CYS  46   5.659   7.166   0.687
  343    H    ASP  47           H        ASP  47   5.035  10.708   3.360
  344    HA   ASP  47           HA       ASP  47   3.183  12.016   3.543
  345   1HB   ASP  47          2HB       ASP  47   4.951  13.845   3.243
  346   2HB   ASP  47          1HB       ASP  47   4.437  13.926   1.565
  347    H    CYS  48           H        CYS  48   3.653  10.034   1.272
  348    HA   CYS  48           HA       CYS  48   1.429  10.914  -0.469
  349   1HB   CYS  48          2HB       CYS  48   3.526  10.845  -1.738
  350   2HB   CYS  48          1HB       CYS  48   3.788   9.178  -1.235
  351    HG   CYS  48           HG       CYS  48   1.215  10.255  -3.228
  352    H    LYS  49           H        LYS  49   0.022   9.235  -1.300
  353    HA   LYS  49           HA       LYS  49  -0.341   7.097   0.688
  354   1HB   LYS  49          2HB       LYS  49  -2.186   8.760   0.141
  355   2HB   LYS  49          1HB       LYS  49  -2.306   7.986  -1.434
  356   1HG   LYS  49          2HG       LYS  49  -2.767   5.826  -0.240
  357   2HG   LYS  49          1HG       LYS  49  -2.844   6.748   1.261
  358   1HD   LYS  49          2HD       LYS  49  -4.649   6.995  -1.146
  359   2HD   LYS  49          1HD       LYS  49  -5.084   6.430   0.465
  360   1HE   LYS  49          2HE       LYS  49  -4.298   9.238  -0.329
  361   2HE   LYS  49          1HE       LYS  49  -5.897   8.682   0.157
  362   1HZ   LYS  49          1HZ       LYS  49  -4.882   8.115   2.358
  363   2HZ   LYS  49          2HZ       LYS  49  -4.929   9.763   2.000
  364   3HZ   LYS  49          3HZ       LYS  49  -3.480   8.916   1.855
  365    H    TYR  50           H        TYR  50  -0.186   4.949   0.170
  366    HA   TYR  50           HA       TYR  50   0.233   4.244  -2.675
  367   1HB   TYR  50          2HB       TYR  50   1.229   2.747  -0.238
  368   2HB   TYR  50          1HB       TYR  50   1.581   2.364  -1.918
  369    HD1  TYR  50           HD1      TYR  50   3.020   3.945  -3.260
  370    HD2  TYR  50           HD2      TYR  50   2.519   4.338   0.954
  371    HE1  TYR  50           HE1      TYR  50   5.041   5.343  -3.149
  372    HE2  TYR  50           HE2      TYR  50   4.532   5.735   1.068
  373    HH   TYR  50           HH       TYR  50   6.043   7.045  -1.675
  374    H    VAL  51           H        VAL  51  -1.569   3.313  -3.497
  375    HA   VAL  51           HA       VAL  51  -3.183   1.548  -1.774
  376    HB   VAL  51           HB       VAL  51  -3.751   2.755  -4.488
  377   1HG1  VAL  51          1HG1      VAL  51  -4.652   0.499  -4.536
  378   2HG1  VAL  51          2HG1      VAL  51  -5.969   1.660  -4.373
  379   3HG1  VAL  51          3HG1      VAL  51  -5.424   0.742  -2.969
  380   1HG2  VAL  51          1HG2      VAL  51  -5.597   3.849  -3.311
  381   2HG2  VAL  51          2HG2      VAL  51  -4.051   4.229  -2.554
  382   3HG2  VAL  51          3HG2      VAL  51  -5.125   3.046  -1.812
  383    H    LEU  52           H        LEU  52  -3.100  -0.595  -1.893
  384    HA   LEU  52           HA       LEU  52  -1.346  -1.910  -3.759
  385   1HB   LEU  52          2HB       LEU  52  -1.531  -2.635  -1.418
  386   2HB   LEU  52          1HB       LEU  52  -3.213  -3.054  -1.674
  387    HG   LEU  52           HG       LEU  52  -2.535  -4.814  -3.264
  388   1HD1  LEU  52          1HD1      LEU  52   0.286  -4.040  -2.517
  389   2HD1  LEU  52          2HD1      LEU  52  -0.473  -3.808  -4.093
  390   3HD1  LEU  52          3HD1      LEU  52  -0.183  -5.439  -3.485
  391   1HD2  LEU  52          1HD2      LEU  52  -1.597  -6.360  -1.637
  392   2HD2  LEU  52          2HD2      LEU  52  -2.823  -5.344  -0.882
  393   3HD2  LEU  52          3HD2      LEU  52  -1.114  -5.012  -0.606
  394    H    LYS  53           H        LYS  53  -1.933  -2.377  -5.762
  395    HA   LYS  53           HA       LYS  53  -4.575  -2.297  -6.741
  396   1HB   LYS  53          2HB       LYS  53  -2.574  -1.871  -8.107
  397   2HB   LYS  53          1HB       LYS  53  -2.107  -3.557  -7.955
  398   1HG   LYS  53          2HG       LYS  53  -4.014  -4.262  -9.252
  399   2HG   LYS  53          1HG       LYS  53  -4.647  -2.613  -9.285
  400   1HD   LYS  53          2HD       LYS  53  -3.495  -3.258 -11.392
  401   2HD   LYS  53          1HD       LYS  53  -2.760  -1.863 -10.598
  402   1HE   LYS  53          2HE       LYS  53  -1.116  -3.470  -9.548
  403   2HE   LYS  53          1HE       LYS  53  -1.765  -4.711 -10.620
  404   1HZ   LYS  53          1HZ       LYS  53  -0.541  -2.160 -11.519
  405   2HZ   LYS  53          2HZ       LYS  53  -1.067  -3.425 -12.513
  406   3HZ   LYS  53          3HZ       LYS  53   0.251  -3.654 -11.479
  407    H    GLY  54           H        GLY  54  -6.157  -3.759  -6.639
  408   1HA   GLY  54          2HA       GLY  54  -7.158  -5.873  -6.793
  409   2HA   GLY  54          1HA       GLY  54  -5.584  -6.623  -6.597
  410    H    SER  55           H        SER  55  -6.258  -4.190  -4.275
  411    HA   SER  55           HA       SER  55  -6.751  -6.285  -2.242
  412   1HB   SER  55          2HB       SER  55  -5.654  -4.915  -0.646
  413   2HB   SER  55          1HB       SER  55  -4.670  -4.787  -2.104
  414    HG   SER  55           HG       SER  55  -5.107  -2.730  -2.194
  415    H    LYS  56           H        LYS  56  -7.590  -4.766  -0.137
  416    HA   LYS  56           HA       LYS  56 -10.349  -4.413  -0.557
  417   1HB   LYS  56          2HB       LYS  56  -9.407  -4.993   1.623
  418   2HB   LYS  56          1HB       LYS  56  -8.569  -3.450   1.699
  419   1HG   LYS  56          2HG       LYS  56 -10.731  -2.283   1.781
  420   2HG   LYS  56          1HG       LYS  56 -11.563  -3.840   1.720
  421   1HD   LYS  56          2HD       LYS  56 -10.514  -4.493   3.839
  422   2HD   LYS  56          1HD       LYS  56  -9.652  -2.954   3.894
  423   1HE   LYS  56          2HE       LYS  56 -11.798  -1.763   4.003
  424   2HE   LYS  56          1HE       LYS  56 -12.654  -3.305   3.962
  425   1HZ   LYS  56          1HZ       LYS  56 -11.604  -3.907   6.046
  426   2HZ   LYS  56          2HZ       LYS  56 -12.448  -2.450   6.210
  427   3HZ   LYS  56          3HZ       LYS  56 -10.766  -2.439   6.080
  428    H    ALA  57           H        ALA  57  -7.701  -2.255  -1.050
  429    HA   ALA  57           HA       ALA  57  -9.396   0.138  -1.021
  430   1HB   ALA  57          1HB       ALA  57  -7.166   0.235   0.013
  431   2HB   ALA  57          2HB       ALA  57  -7.338   1.389  -1.309
  432   3HB   ALA  57          3HB       ALA  57  -6.433  -0.105  -1.555
  433    H    ASP  58           H        ASP  58  -8.817  -2.231  -3.204
  434    HA   ASP  58           HA       ASP  58  -9.076  -0.406  -5.509
  435   1HB   ASP  58          2HB       ASP  58  -6.753  -1.316  -5.297
  436   2HB   ASP  58          1HB       ASP  58  -7.409  -2.939  -5.458
  437    H    ALA  59           H        ALA  59  -9.766  -1.797  -7.529
  438    HA   ALA  59           HA       ALA  59 -11.444  -2.909  -8.564
  439   1HB   ALA  59          1HB       ALA  59 -12.103  -5.104  -7.756
  440   2HB   ALA  59          2HB       ALA  59 -11.371  -4.774  -6.187
  441   3HB   ALA  59          3HB       ALA  59 -10.354  -4.906  -7.621
  442    H    LEU  60           H        LEU  60 -12.739  -1.010  -8.233
  443    HA   LEU  60           HA       LEU  60 -14.383  -0.602  -5.964
  444   1HB   LEU  60          2HB       LEU  60 -14.727   0.479  -8.766
  445   2HB   LEU  60          1HB       LEU  60 -15.482   1.119  -7.319
  446    HG   LEU  60           HG       LEU  60 -12.509   1.109  -7.883
  447   1HD1  LEU  60          1HD1      LEU  60 -14.497   3.380  -7.921
  448   2HD1  LEU  60          2HD1      LEU  60 -13.713   2.658  -9.327
  449   3HD1  LEU  60          3HD1      LEU  60 -12.751   3.529  -8.134
  450   1HD2  LEU  60          1HD2      LEU  60 -12.989   0.935  -5.496
  451   2HD2  LEU  60          2HD2      LEU  60 -14.065   2.328  -5.598
  452   3HD2  LEU  60          3HD2      LEU  60 -12.336   2.525  -5.891
  453    H    GLU  61           H        GLU  61 -15.408  -1.451  -9.281
  454    HA   GLU  61           HA       GLU  61 -17.989  -2.311  -8.447
  455   1HB   GLU  61          2HB       GLU  61 -18.023  -3.289 -10.860
  456   2HB   GLU  61          1HB       GLU  61 -17.998  -1.551 -10.623
  457   1HG   GLU  61          2HG       GLU  61 -16.509  -2.054 -12.398
  458   2HG   GLU  61          1HG       GLU  61 -15.531  -1.594 -11.010
  459    H    HIS  62           H        HIS  62 -14.955  -3.990  -8.910
  460    HA   HIS  62           HA       HIS  62 -14.199  -5.827  -7.828
  461   1HB   HIS  62          2HB       HIS  62 -15.793  -5.181  -6.002
  462   2HB   HIS  62          1HB       HIS  62 -17.004  -6.217  -6.749
  463    HD1  HIS  62           HD1      HIS  62 -17.013  -8.598  -6.003
  464    HD2  HIS  62           HD2      HIS  62 -13.428  -6.688  -5.124
  465    HE1  HIS  62           HE1      HIS  62 -15.705 -10.231  -4.620
  466    HE2  HIS  62           HE2      HIS  62 -13.619  -8.989  -3.960
  467    H    HIS  63           H        HIS  63 -15.692  -5.829 -10.526
  468    HA   HIS  63           HA       HIS  63 -16.567  -8.573 -10.693
  469   1HB   HIS  63          2HB       HIS  63 -17.479  -6.693 -12.139
  470   2HB   HIS  63          1HB       HIS  63 -15.970  -6.766 -13.040
  471    HD1  HIS  63           HD1      HIS  63 -15.717  -8.634 -14.739
  472    HD2  HIS  63           HD2      HIS  63 -19.169  -8.963 -12.456
  473    HE1  HIS  63           HE1      HIS  63 -17.094 -10.405 -15.859
  474    HE2  HIS  63           HE2      HIS  63 -19.243 -10.467 -14.556
  475    H    HIS  64           H        HIS  64 -13.588  -6.946 -10.833
  476    HA   HIS  64           HA       HIS  64 -12.128  -9.053 -12.165
  477   1HB   HIS  64          2HB       HIS  64 -11.322  -6.691 -12.105
  478   2HB   HIS  64          1HB       HIS  64 -11.110  -6.827 -10.364
  479    HD1  HIS  64           HD1      HIS  64  -8.644  -6.744 -10.091
  480    HD2  HIS  64           HD2      HIS  64  -9.783  -9.357 -13.114
  481    HE1  HIS  64           HE1      HIS  64  -6.531  -7.868 -10.841
  482    HE2  HIS  64           HE2      HIS  64  -7.269  -9.554 -12.550
  483    H    HIS  65           H        HIS  65 -12.430 -10.995 -11.161
  484    HA   HIS  65           HA       HIS  65 -12.784 -11.095  -8.277
  485   1HB   HIS  65          2HB       HIS  65 -13.629 -13.324  -8.612
  486   2HB   HIS  65          1HB       HIS  65 -14.331 -12.278  -9.843
  487    HD1  HIS  65           HD1      HIS  65 -12.123 -15.230  -9.388
  488    HD2  HIS  65           HD2      HIS  65 -13.400 -12.777 -12.489
  489    HE1  HIS  65           HE1      HIS  65 -11.450 -16.408 -11.498
  490    HE2  HIS  65           HE2      HIS  65 -12.035 -14.801 -13.343
  491    H    HIS  66           H        HIS  66 -11.555 -12.164  -6.815
  492    HA   HIS  66           HA       HIS  66  -9.778 -14.258  -7.383
  493   1HB   HIS  66          2HB       HIS  66  -7.611 -13.297  -7.045
  494   2HB   HIS  66          1HB       HIS  66  -8.397 -12.338  -8.291
  495    HD1  HIS  66           HD1      HIS  66  -6.752 -12.097  -5.049
  496    HD2  HIS  66           HD2      HIS  66  -9.328  -9.739  -7.303
  497    HE1  HIS  66           HE1      HIS  66  -6.649  -9.818  -4.017
  498    HE2  HIS  66           HE2      HIS  66  -8.116  -8.384  -5.459
  499    H    HIS  67           H        HIS  67  -9.792 -15.455  -5.562
  500    HA   HIS  67           HA       HIS  67 -10.043 -14.054  -2.962
  501   1HB   HIS  67          2HB       HIS  67 -11.269 -16.697  -3.794
  502   2HB   HIS  67          1HB       HIS  67 -11.263 -16.090  -2.142
  503    HD1  HIS  67           HD1      HIS  67 -13.829 -16.652  -3.964
  504    HD2  HIS  67           HD2      HIS  67 -12.159 -12.949  -3.095
  505    HE1  HIS  67           HE1      HIS  67 -15.680 -14.988  -4.274
  506    HE2  HIS  67           HE2      HIS  67 -14.701 -12.791  -3.539
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  -8.157  21.842   3.491
    2   2H    MET   1          2H        MET   1  -9.441  20.914   2.892
    3   3H    MET   1          3H        MET   1  -9.720  22.483   3.450
    4    HA   MET   1           HA       MET   1  -9.701  22.321   1.002
    5   1HB   MET   1          2HB       MET   1  -7.492  23.988   2.249
    6   2HB   MET   1          1HB       MET   1  -8.207  24.270   0.666
    7   1HG   MET   1          2HG       MET   1 -10.350  24.759   1.680
    8   2HG   MET   1          1HG       MET   1  -9.713  24.375   3.278
    9   1HE   MET   1          1HE       MET   1  -6.789  25.703   3.154
   10   2HE   MET   1          2HE       MET   1  -7.887  25.827   4.529
   11   3HE   MET   1          3HE       MET   1  -7.150  27.279   3.854
   12    H    THR   2           H        THR   2  -8.025  20.012   2.006
   13    HA   THR   2           HA       THR   2  -5.428  20.209   0.761
   14    HB   THR   2           HB       THR   2  -6.681  17.638   1.749
   15    HG1  THR   2           HG1      THR   2  -5.679  19.835   3.267
   16   1HG2  THR   2          1HG2      THR   2  -4.470  17.467   0.700
   17   2HG2  THR   2          2HG2      THR   2  -4.362  17.142   2.431
   18   3HG2  THR   2          3HG2      THR   2  -3.842  18.702   1.792
   19    H    ILE   3           H        ILE   3  -7.847  20.358  -1.029
   20    HA   ILE   3           HA       ILE   3  -8.527  19.668  -3.088
   21    HB   ILE   3           HB       ILE   3  -5.992  17.996  -3.116
   22   1HG1  ILE   3          2HG1      ILE   3  -5.479  20.354  -2.724
   23   2HG1  ILE   3          1HG1      ILE   3  -4.991  19.891  -4.351
   24   1HG2  ILE   3          1HG2      ILE   3  -7.713  18.954  -5.412
   25   2HG2  ILE   3          2HG2      ILE   3  -7.569  17.291  -4.843
   26   3HG2  ILE   3          3HG2      ILE   3  -6.177  18.095  -5.563
   27   1HD1  ILE   3          1HD1      ILE   3  -6.015  22.084  -4.332
   28   2HD1  ILE   3          2HD1      ILE   3  -7.482  21.419  -3.617
   29   3HD1  ILE   3          3HD1      ILE   3  -7.004  20.947  -5.248
   30    H    GLN   4           H        GLN   4  -8.338  17.658  -0.477
   31    HA   GLN   4           HA       GLN   4  -9.224  15.695   0.176
   32   1HB   GLN   4          2HB       GLN   4 -11.047  16.348  -2.146
   33   2HB   GLN   4          1HB       GLN   4 -11.321  14.964  -1.097
   34   1HG   GLN   4          2HG       GLN   4 -12.707  16.819  -0.413
   35   2HG   GLN   4          1HG       GLN   4 -11.511  16.474   0.834
   36   1HE2  GLN   4          1HE2      GLN   4 -12.555  18.723  -1.592
   37   2HE2  GLN   4          2HE2      GLN   4 -11.567  20.044  -1.078
   38    H    ALA   5           H        ALA   5  -7.050  15.687  -1.907
   39    HA   ALA   5           HA       ALA   5  -7.325  12.865  -2.675
   40   1HB   ALA   5          1HB       ALA   5  -6.369  14.996  -4.585
   41   2HB   ALA   5          2HB       ALA   5  -7.950  14.220  -4.638
   42   3HB   ALA   5          3HB       ALA   5  -6.492  13.267  -4.914
   43    HA   PRO   6           HA       PRO   6  -3.126  13.299  -0.846
   44   1HB   PRO   6          2HB       PRO   6  -3.750  10.549   0.042
   45   2HB   PRO   6          1HB       PRO   6  -3.189  11.930   0.990
   46   1HG   PRO   6          2HG       PRO   6  -5.705  10.991   1.203
   47   2HG   PRO   6          1HG       PRO   6  -5.331  12.719   1.358
   48   1HD   PRO   6          2HD       PRO   6  -6.454  11.227  -0.994
   49   2HD   PRO   6          1HD       PRO   6  -6.917  12.814  -0.340
   50    H    GLU   7           H        GLU   7  -2.203  13.232  -2.871
   51    HA   GLU   7           HA       GLU   7  -2.185  11.790  -5.019
   52   1HB   GLU   7          2HB       GLU   7  -0.412  13.439  -4.329
   53   2HB   GLU   7          1HB       GLU   7   0.446  12.117  -3.559
   54   1HG   GLU   7          2HG       GLU   7  -0.278  12.003  -6.469
   55   2HG   GLU   7          1HG       GLU   7   1.151  12.868  -5.923
   56    H    THR   8           H        THR   8  -2.732   9.749  -5.334
   57    HA   THR   8           HA       THR   8  -1.734   7.653  -3.516
   58    HB   THR   8           HB       THR   8  -4.203   7.769  -5.267
   59    HG1  THR   8           HG1      THR   8  -3.868   8.784  -2.974
   60   1HG2  THR   8          1HG2      THR   8  -3.274   5.517  -3.475
   61   2HG2  THR   8          2HG2      THR   8  -3.357   5.475  -5.236
   62   3HG2  THR   8          3HG2      THR   8  -4.837   5.608  -4.288
   63    H    LYS   9           H        LYS   9  -0.883   5.735  -4.271
   64    HA   LYS   9           HA       LYS   9  -0.497   5.444  -7.182
   65   1HB   LYS   9          2HB       LYS   9   1.563   5.079  -5.001
   66   2HB   LYS   9          1HB       LYS   9   1.744   4.359  -6.594
   67   1HG   LYS   9          2HG       LYS   9   1.675   6.591  -7.608
   68   2HG   LYS   9          1HG       LYS   9   1.509   7.304  -6.004
   69   1HD   LYS   9          2HD       LYS   9   3.685   6.442  -5.356
   70   2HD   LYS   9          1HD       LYS   9   3.845   5.609  -6.904
   71   1HE   LYS   9          2HE       LYS   9   5.147   7.651  -6.929
   72   2HE   LYS   9          1HE       LYS   9   3.801   7.794  -8.056
   73   1HZ   LYS   9          1HZ       LYS   9   3.930   8.961  -5.325
   74   2HZ   LYS   9          2HZ       LYS   9   2.594   9.061  -6.353
   75   3HZ   LYS   9          3HZ       LYS   9   4.051   9.806  -6.780
   76    H    ILE  10           H        ILE  10  -1.548   3.690  -7.802
   77    HA   ILE  10           HA       ILE  10  -2.187   1.575  -5.912
   78    HB   ILE  10           HB       ILE  10  -2.915   1.802  -8.844
   79   1HG1  ILE  10          2HG1      ILE  10  -4.516   2.521  -6.365
   80   2HG1  ILE  10          1HG1      ILE  10  -3.818   3.673  -7.496
   81   1HG2  ILE  10          1HG2      ILE  10  -4.050   0.042  -6.664
   82   2HG2  ILE  10          2HG2      ILE  10  -3.014  -0.495  -7.986
   83   3HG2  ILE  10          3HG2      ILE  10  -4.626   0.129  -8.331
   84   1HD1  ILE  10          1HD1      ILE  10  -5.990   1.679  -8.099
   85   2HD1  ILE  10          2HD1      ILE  10  -5.281   2.805  -9.258
   86   3HD1  ILE  10          3HD1      ILE  10  -6.186   3.418  -7.875
   87    H    VAL  11           H        VAL  11  -0.387   0.395  -5.482
   88    HA   VAL  11           HA       VAL  11   1.260  -0.566  -7.732
   89    HB   VAL  11           HB       VAL  11   3.020  -1.006  -6.034
   90   1HG1  VAL  11          1HG1      VAL  11   3.022   1.081  -7.293
   91   2HG1  VAL  11          2HG1      VAL  11   3.615   1.347  -5.654
   92   3HG1  VAL  11          3HG1      VAL  11   1.975   1.831  -6.088
   93   1HG2  VAL  11          1HG2      VAL  11   1.604  -1.325  -4.069
   94   2HG2  VAL  11          2HG2      VAL  11   1.114   0.370  -4.129
   95   3HG2  VAL  11          3HG2      VAL  11   2.792  -0.053  -3.778
   96    H    ASP  12           H        ASP  12   1.950  -2.729  -7.824
   97    HA   ASP  12           HA       ASP  12  -0.062  -4.622  -7.063
   98   1HB   ASP  12          2HB       ASP  12   2.632  -5.072  -8.377
   99   2HB   ASP  12          1HB       ASP  12   1.309  -6.234  -8.307
  100    H    LYS  13           H        LYS  13   2.834  -3.505  -5.628
  101    HA   LYS  13           HA       LYS  13   3.152  -5.962  -4.040
  102   1HB   LYS  13          2HB       LYS  13   5.500  -5.331  -3.758
  103   2HB   LYS  13          1HB       LYS  13   5.072  -5.458  -5.458
  104   1HG   LYS  13          2HG       LYS  13   4.744  -2.915  -5.383
  105   2HG   LYS  13          1HG       LYS  13   5.592  -2.979  -3.839
  106   1HD   LYS  13          2HD       LYS  13   6.639  -3.847  -6.536
  107   2HD   LYS  13          1HD       LYS  13   7.174  -2.462  -5.586
  108   1HE   LYS  13          2HE       LYS  13   7.488  -5.374  -4.839
  109   2HE   LYS  13          1HE       LYS  13   8.764  -4.298  -5.406
  110   1HZ   LYS  13          1HZ       LYS  13   7.267  -4.105  -2.853
  111   2HZ   LYS  13          2HZ       LYS  13   8.325  -2.914  -3.411
  112   3HZ   LYS  13          3HZ       LYS  13   8.908  -4.459  -3.057
  113    H    SER  14           H        SER  14   3.344  -5.862  -1.802
  114    HA   SER  14           HA       SER  14   2.120  -3.573  -0.542
  115   1HB   SER  14          2HB       SER  14   2.387  -4.923   1.561
  116   2HB   SER  14          1HB       SER  14   1.497  -5.739   0.286
  117    HG   SER  14           HG       SER  14   2.920  -7.245   0.895
  118    H    ARG  15           H        ARG  15   5.374  -4.985  -0.551
  119    HA   ARG  15           HA       ARG  15   6.329  -3.173   1.474
  120   1HB   ARG  15          2HB       ARG  15   7.773  -5.101  -0.339
  121   2HB   ARG  15          1HB       ARG  15   8.591  -4.095   0.850
  122   1HG   ARG  15          2HG       ARG  15   6.471  -6.151   1.448
  123   2HG   ARG  15          1HG       ARG  15   8.208  -6.340   1.676
  124   1HD   ARG  15          2HD       ARG  15   8.254  -4.646   3.360
  125   2HD   ARG  15          1HD       ARG  15   6.582  -4.198   3.030
  126    HE   ARG  15           HE       ARG  15   5.954  -6.419   3.900
  127   1HH1  ARG  15          1HH1      ARG  15   9.085  -5.214   4.732
  128   2HH1  ARG  15          2HH1      ARG  15   9.099  -6.025   6.257
  129   1HH2  ARG  15          1HH2      ARG  15   6.010  -7.464   5.832
  130   2HH2  ARG  15          2HH2      ARG  15   7.381  -7.298   6.871
  131    H    VAL  16           H        VAL  16   7.153  -1.252   1.259
  132    HA   VAL  16           HA       VAL  16   8.190  -0.299  -1.321
  133    HB   VAL  16           HB       VAL  16   6.041   1.191   0.226
  134   1HG1  VAL  16          1HG1      VAL  16   7.664   2.734  -0.711
  135   2HG1  VAL  16          2HG1      VAL  16   6.151   2.835  -1.610
  136   3HG1  VAL  16          3HG1      VAL  16   7.525   1.964  -2.292
  137   1HG2  VAL  16          1HG2      VAL  16   4.635   0.884  -1.756
  138   2HG2  VAL  16          2HG2      VAL  16   5.118  -0.672  -1.083
  139   3HG2  VAL  16          3HG2      VAL  16   5.914  -0.054  -2.529
  140    H    ALA  17           H        ALA  17  10.093   0.718  -0.970
  141    HA   ALA  17           HA       ALA  17  10.905   1.465   1.699
  142   1HB   ALA  17          1HB       ALA  17  13.035   2.077   0.664
  143   2HB   ALA  17          2HB       ALA  17  12.325   1.877  -0.939
  144   3HB   ALA  17          3HB       ALA  17  12.504   0.481   0.123
  145    H    CYS  18           H        CYS  18  10.199   3.341   2.606
  146    HA   CYS  18           HA       CYS  18  10.405   5.811   1.047
  147   1HB   CYS  18          2HB       CYS  18   8.094   5.019   0.676
  148   2HB   CYS  18          1HB       CYS  18   7.819   5.038   2.414
  149    HG   CYS  18           HG       CYS  18   6.776   7.280   0.722
  150    H    ASP  19           H        ASP  19  11.968   6.636   2.368
  151    HA   ASP  19           HA       ASP  19  11.006   7.691   4.922
  152   1HB   ASP  19          2HB       ASP  19  12.310   5.658   5.464
  153   2HB   ASP  19          1HB       ASP  19  13.701   6.329   4.621
  154    H    GLY  20           H        GLY  20  10.838   9.399   3.146
  155   1HA   GLY  20          2HA       GLY  20  12.432  11.550   3.568
  156   2HA   GLY  20          1HA       GLY  20  13.295  10.681   2.305
  157    H    GLY  21           H        GLY  21  12.752  12.926   1.321
  158   1HA   GLY  21          2HA       GLY  21  10.144  13.491   0.398
  159   2HA   GLY  21          1HA       GLY  21  11.629  14.065  -0.346
  160    H    GLU  22           H        GLU  22  12.771  11.673  -1.102
  161    HA   GLU  22           HA       GLU  22  10.966   9.924  -2.461
  162   1HB   GLU  22          2HB       GLU  22  11.812  12.274  -3.895
  163   2HB   GLU  22          1HB       GLU  22  12.555  10.868  -4.644
  164   1HG   GLU  22          2HG       GLU  22   9.605  11.291  -4.170
  165   2HG   GLU  22          1HG       GLU  22  10.447  11.398  -5.716
  166    H    GLY  23           H        GLY  23  12.379   8.454  -4.053
  167   1HA   GLY  23          2HA       GLY  23  14.289   7.042  -2.698
  168   2HA   GLY  23          1HA       GLY  23  14.248   7.156  -4.447
  169    H    ALA  24           H        ALA  24  15.032   9.681  -4.976
  170    HA   ALA  24           HA       ALA  24  17.850   9.631  -4.307
  171   1HB   ALA  24          1HB       ALA  24  18.032  11.446  -5.951
  172   2HB   ALA  24          2HB       ALA  24  16.273  11.505  -6.076
  173   3HB   ALA  24          3HB       ALA  24  17.147  10.065  -6.598
  174    H    LEU  25           H        LEU  25  15.233  10.872  -2.764
  175    HA   LEU  25           HA       LEU  25  16.798  13.031  -1.501
  176   1HB   LEU  25          2HB       LEU  25  14.704  13.606  -3.041
  177   2HB   LEU  25          1HB       LEU  25  13.799  13.168  -1.606
  178    HG   LEU  25           HG       LEU  25  15.881  15.368  -1.765
  179   1HD1  LEU  25          1HD1      LEU  25  13.864  15.914  -3.014
  180   2HD1  LEU  25          2HD1      LEU  25  13.991  16.898  -1.557
  181   3HD1  LEU  25          3HD1      LEU  25  12.874  15.534  -1.604
  182   1HD2  LEU  25          1HD2      LEU  25  15.098  16.019   0.465
  183   2HD2  LEU  25          2HD2      LEU  25  15.779  14.394   0.476
  184   3HD2  LEU  25          3HD2      LEU  25  14.030  14.615   0.505
  185    H    GLY  26           H        GLY  26  17.143  10.677  -0.492
  186   1HA   GLY  26          2HA       GLY  26  17.075  10.435   2.016
  187   2HA   GLY  26          1HA       GLY  26  15.330  10.465   1.843
  188    H    HIS  27           H        HIS  27  14.901   8.441   2.634
  189    HA   HIS  27           HA       HIS  27  14.409   6.226   2.464
  190   1HB   HIS  27          2HB       HIS  27  15.415   6.612  -0.364
  191   2HB   HIS  27          1HB       HIS  27  14.678   5.124   0.218
  192    HD1  HIS  27           HD1      HIS  27  13.417   8.627   0.953
  193    HD2  HIS  27           HD2      HIS  27  12.337   5.236  -1.188
  194    HE1  HIS  27           HE1      HIS  27  11.066   9.046   0.172
  195    HE2  HIS  27           HE2      HIS  27  10.484   7.043  -1.234
  196    HA   PRO  28           HA       PRO  28  19.051   5.234   3.138
  197   1HB   PRO  28          2HB       PRO  28  18.679   4.638   5.823
  198   2HB   PRO  28          1HB       PRO  28  19.304   6.169   5.201
  199   1HG   PRO  28          2HG       PRO  28  16.529   5.466   6.067
  200   2HG   PRO  28          1HG       PRO  28  17.446   6.960   6.340
  201   1HD   PRO  28          2HD       PRO  28  15.532   6.819   4.463
  202   2HD   PRO  28          1HD       PRO  28  17.014   7.762   4.196
  203    H    ARG  29           H        ARG  29  16.446   3.705   5.050
  204    HA   ARG  29           HA       ARG  29  15.943   1.622   3.323
  205   1HB   ARG  29          2HB       ARG  29  18.373   1.050   4.235
  206   2HB   ARG  29          1HB       ARG  29  17.450   0.379   5.574
  207   1HG   ARG  29          2HG       ARG  29  17.864  -1.340   3.961
  208   2HG   ARG  29          1HG       ARG  29  16.151  -0.963   3.947
  209   1HD   ARG  29          2HD       ARG  29  16.380   0.335   1.948
  210   2HD   ARG  29          1HD       ARG  29  18.137   0.227   2.013
  211    HE   ARG  29           HE       ARG  29  17.114  -2.367   1.846
  212   1HH1  ARG  29          1HH1      ARG  29  17.258   0.502  -0.062
  213   2HH1  ARG  29          2HH1      ARG  29  17.286  -0.368  -1.555
  214   1HH2  ARG  29          1HH2      ARG  29  17.148  -3.468  -0.104
  215   2HH2  ARG  29          2HH2      ARG  29  17.236  -2.569  -1.579
  216    H    VAL  30           H        VAL  30  13.976   2.254   3.970
  217    HA   VAL  30           HA       VAL  30  12.961   1.043   6.450
  218    HB   VAL  30           HB       VAL  30  12.276   3.849   5.516
  219   1HG1  VAL  30          1HG1      VAL  30  10.791   3.954   7.484
  220   2HG1  VAL  30          2HG1      VAL  30  11.098   2.244   7.793
  221   3HG1  VAL  30          3HG1      VAL  30  10.267   2.738   6.317
  222   1HG2  VAL  30          1HG2      VAL  30  13.183   4.572   7.672
  223   2HG2  VAL  30          2HG2      VAL  30  14.402   3.711   6.731
  224   3HG2  VAL  30          3HG2      VAL  30  13.588   2.902   8.072
  225    H    TRP  31           H        TRP  31  11.399  -0.357   5.920
  226    HA   TRP  31           HA       TRP  31  10.070  -0.049   3.310
  227   1HB   TRP  31          2HB       TRP  31  10.497  -2.522   5.002
  228   2HB   TRP  31          1HB       TRP  31   9.689  -2.490   3.437
  229    HD1  TRP  31           HD1      TRP  31  13.160  -2.222   5.026
  230    HE1  TRP  31           HE1      TRP  31  14.935  -2.534   3.191
  231    HE3  TRP  31           HE3      TRP  31  10.095  -2.213   0.934
  232    HZ2  TRP  31           HZ2      TRP  31  15.017  -2.744   0.374
  233    HZ3  TRP  31           HZ3      TRP  31  11.100  -2.471  -1.293
  234    HH2  TRP  31           HH2      TRP  31  13.510  -2.731  -1.567
  235    H    LEU  32           H        LEU  32   8.051   0.627   3.337
  236    HA   LEU  32           HA       LEU  32   6.314   0.353   5.620
  237   1HB   LEU  32          2HB       LEU  32   5.899   1.452   2.835
  238   2HB   LEU  32          1HB       LEU  32   4.601   1.352   4.008
  239    HG   LEU  32           HG       LEU  32   5.843   2.870   5.512
  240   1HD1  LEU  32          1HD1      LEU  32   7.799   4.092   4.688
  241   2HD1  LEU  32          2HD1      LEU  32   7.830   3.074   3.248
  242   3HD1  LEU  32          3HD1      LEU  32   8.123   2.366   4.837
  243   1HD2  LEU  32          1HD2      LEU  32   5.558   4.911   4.165
  244   2HD2  LEU  32          2HD2      LEU  32   4.201   3.798   4.006
  245   3HD2  LEU  32          3HD2      LEU  32   5.398   3.916   2.716
  246    H    GLN  33           H        GLN  33   4.322  -0.767   5.629
  247    HA   GLN  33           HA       GLN  33   4.188  -3.113   3.816
  248   1HB   GLN  33          2HB       GLN  33   4.893  -3.793   6.041
  249   2HB   GLN  33          1HB       GLN  33   3.574  -2.901   6.780
  250   1HG   GLN  33          2HG       GLN  33   2.998  -5.199   6.838
  251   2HG   GLN  33          1HG       GLN  33   1.979  -4.449   5.614
  252   1HE2  GLN  33          1HE2      GLN  33   2.300  -4.996   3.448
  253   2HE2  GLN  33          2HE2      GLN  33   3.278  -6.339   2.972
  254    H    ILE  34           H        ILE  34   2.514  -2.735   2.457
  255    HA   ILE  34           HA       ILE  34   0.102  -1.396   3.270
  256    HB   ILE  34           HB       ILE  34   0.578  -3.101   0.810
  257   1HG1  ILE  34          2HG1      ILE  34   0.755  -0.090   1.160
  258   2HG1  ILE  34          1HG1      ILE  34   2.127  -1.172   0.944
  259   1HG2  ILE  34          1HG2      ILE  34  -1.353  -1.845  -0.113
  260   2HG2  ILE  34          2HG2      ILE  34  -1.594  -1.101   1.467
  261   3HG2  ILE  34          3HG2      ILE  34  -1.788  -2.844   1.274
  262   1HD1  ILE  34          1HD1      ILE  34   1.341  -1.748  -1.283
  263   2HD1  ILE  34          2HD1      ILE  34   1.549  -0.004  -1.116
  264   3HD1  ILE  34          3HD1      ILE  34  -0.066  -0.707  -1.065
  265    HA   PRO  35           HA       PRO  35  -1.427  -5.283   5.040
  266   1HB   PRO  35          2HB       PRO  35  -3.119  -4.243   6.804
  267   2HB   PRO  35          1HB       PRO  35  -1.375  -4.004   6.997
  268   1HG   PRO  35          2HG       PRO  35  -3.428  -2.120   5.874
  269   2HG   PRO  35          1HG       PRO  35  -2.128  -1.785   7.030
  270   1HD   PRO  35          2HD       PRO  35  -1.960  -1.304   4.313
  271   2HD   PRO  35          1HD       PRO  35  -0.558  -1.546   5.374
  272    H    GLU  36           H        GLU  36  -3.340  -6.520   4.915
  273    HA   GLU  36           HA       GLU  36  -5.251  -5.808   2.897
  274   1HB   GLU  36          2HB       GLU  36  -5.296  -8.087   4.898
  275   2HB   GLU  36          1HB       GLU  36  -6.350  -7.934   3.497
  276   1HG   GLU  36          2HG       GLU  36  -4.389  -8.070   2.019
  277   2HG   GLU  36          1HG       GLU  36  -3.352  -8.268   3.432
  278    H    ASP  37           H        ASP  37  -4.997  -5.350   6.287
  279    HA   ASP  37           HA       ASP  37  -7.652  -5.025   7.091
  280   1HB   ASP  37          2HB       ASP  37  -5.680  -5.016   8.600
  281   2HB   ASP  37          1HB       ASP  37  -5.215  -3.445   7.964
  282    H    THR  38           H        THR  38  -5.391  -2.515   5.936
  283    HA   THR  38           HA       THR  38  -7.576  -0.615   5.554
  284    HB   THR  38           HB       THR  38  -5.853   1.033   5.076
  285    HG1  THR  38           HG1      THR  38  -3.661   0.410   4.958
  286   1HG2  THR  38          1HG2      THR  38  -4.585   0.977   7.174
  287   2HG2  THR  38          2HG2      THR  38  -5.020  -0.719   7.397
  288   3HG2  THR  38          3HG2      THR  38  -6.270   0.525   7.446
  289    H    GLY  39           H        GLY  39  -5.022  -2.141   3.584
  290   1HA   GLY  39          2HA       GLY  39  -5.293  -2.799   1.307
  291   2HA   GLY  39          1HA       GLY  39  -6.630  -1.669   1.159
  292    H    TRP  40           H        TRP  40  -4.210  -0.136   2.817
  293    HA   TRP  40           HA       TRP  40  -2.601   0.756   0.594
  294   1HB   TRP  40          2HB       TRP  40  -3.357   3.192   0.930
  295   2HB   TRP  40          1HB       TRP  40  -4.432   2.133   0.027
  296    HD1  TRP  40           HD1      TRP  40  -6.850   1.862   0.910
  297    HE1  TRP  40           HE1      TRP  40  -8.147   2.762   2.937
  298    HE3  TRP  40           HE3      TRP  40  -2.957   3.868   3.556
  299    HZ2  TRP  40           HZ2      TRP  40  -7.607   4.128   5.336
  300    HZ3  TRP  40           HZ3      TRP  40  -3.440   4.957   5.711
  301    HH2  TRP  40           HH2      TRP  40  -5.716   5.083   6.579
  302    H    VAL  41           H        VAL  41  -1.112   2.621   1.291
  303    HA   VAL  41           HA       VAL  41  -0.778   2.827   4.204
  304    HB   VAL  41           HB       VAL  41   0.740   1.012   3.402
  305   1HG1  VAL  41          1HG1      VAL  41   2.718   1.585   2.075
  306   2HG1  VAL  41          2HG1      VAL  41   2.108   3.226   1.866
  307   3HG1  VAL  41          3HG1      VAL  41   1.231   1.865   1.168
  308   1HG2  VAL  41          1HG2      VAL  41   2.117   3.485   4.464
  309   2HG2  VAL  41          2HG2      VAL  41   2.753   1.841   4.546
  310   3HG2  VAL  41          3HG2      VAL  41   1.281   2.261   5.422
  311    H    GLU  42           H        GLU  42   0.155   4.763   4.909
  312    HA   GLU  42           HA       GLU  42   0.305   6.884   2.866
  313   1HB   GLU  42          2HB       GLU  42  -0.118   7.092   5.860
  314   2HB   GLU  42          1HB       GLU  42  -0.133   8.438   4.724
  315   1HG   GLU  42          2HG       GLU  42  -2.132   7.642   3.688
  316   2HG   GLU  42          1HG       GLU  42  -2.056   6.121   4.577
  317    H    CYS  43           H        CYS  43   2.114   8.128   2.628
  318    HA   CYS  43           HA       CYS  43   4.528   7.265   4.051
  319   1HB   CYS  43          2HB       CYS  43   4.229   9.081   1.645
  320   2HB   CYS  43          1HB       CYS  43   5.754   8.502   2.313
  321    HG   CYS  43           HG       CYS  43   3.340   6.484   0.978
  322    HA   PRO  44           HA       PRO  44   3.923  10.928   6.654
  323   1HB   PRO  44          2HB       PRO  44   6.068  10.448   8.297
  324   2HB   PRO  44          1HB       PRO  44   4.492   9.673   8.483
  325   1HG   PRO  44          2HG       PRO  44   6.976   8.620   7.181
  326   2HG   PRO  44          1HG       PRO  44   5.842   7.790   8.264
  327   1HD   PRO  44          2HD       PRO  44   5.781   7.430   5.590
  328   2HD   PRO  44          1HD       PRO  44   4.300   7.416   6.570
  329    H    TYR  45           H        TYR  45   6.575  10.180   4.604
  330    HA   TYR  45           HA       TYR  45   7.761  12.852   5.025
  331   1HB   TYR  45          2HB       TYR  45   9.008  10.424   3.717
  332   2HB   TYR  45          1HB       TYR  45   9.801  11.969   3.999
  333    HD1  TYR  45           HD1      TYR  45  10.445  12.648   6.279
  334    HD2  TYR  45           HD2      TYR  45   8.700   8.838   5.516
  335    HE1  TYR  45           HE1      TYR  45  11.205  11.863   8.482
  336    HE2  TYR  45           HE2      TYR  45   9.455   8.048   7.716
  337    HH   TYR  45           HH       TYR  45  11.250   8.611   9.346
  338    H    CYS  46           H        CYS  46   7.400  10.536   2.314
  339    HA   CYS  46           HA       CYS  46   7.498  12.585   0.320
  340   1HB   CYS  46          2HB       CYS  46   8.270  10.272  -0.086
  341   2HB   CYS  46          1HB       CYS  46   6.612   9.699   0.056
  342    HG   CYS  46           HG       CYS  46   8.165  11.159  -2.527
  343    H    ASP  47           H        ASP  47   4.981  11.398   2.264
  344    HA   ASP  47           HA       ASP  47   2.821  12.004   2.513
  345   1HB   ASP  47          2HB       ASP  47   3.747  14.254   1.691
  346   2HB   ASP  47          1HB       ASP  47   3.042  13.838   0.132
  347    H    CYS  48           H        CYS  48   3.972  10.442  -0.187
  348    HA   CYS  48           HA       CYS  48   1.665  10.106  -1.777
  349   1HB   CYS  48          2HB       CYS  48   4.013   8.230  -1.398
  350   2HB   CYS  48          1HB       CYS  48   2.817   8.111  -2.684
  351    HG   CYS  48           HG       CYS  48   3.570  10.879  -3.474
  352    H    LYS  49           H        LYS  49   0.132   8.474  -1.875
  353    HA   LYS  49           HA       LYS  49  -0.117   6.741   0.507
  354   1HB   LYS  49          2HB       LYS  49  -1.804   8.538   0.399
  355   2HB   LYS  49          1HB       LYS  49  -2.309   7.975  -1.185
  356   1HG   LYS  49          2HG       LYS  49  -3.236   5.978  -0.273
  357   2HG   LYS  49          1HG       LYS  49  -2.490   6.278   1.301
  358   1HD   LYS  49          2HD       LYS  49  -3.887   8.253   1.614
  359   2HD   LYS  49          1HD       LYS  49  -4.593   8.036   0.012
  360   1HE   LYS  49          2HE       LYS  49  -4.803   5.992   2.225
  361   2HE   LYS  49          1HE       LYS  49  -6.006   7.250   1.942
  362   1HZ   LYS  49          1HZ       LYS  49  -6.683   5.219   0.888
  363   2HZ   LYS  49          2HZ       LYS  49  -5.226   5.110   0.038
  364   3HZ   LYS  49          3HZ       LYS  49  -6.313   6.357  -0.307
  365    H    TYR  50           H        TYR  50   0.502   4.718  -0.108
  366    HA   TYR  50           HA       TYR  50   0.145   3.899  -2.893
  367   1HB   TYR  50          2HB       TYR  50   1.615   2.579  -0.599
  368   2HB   TYR  50          1HB       TYR  50   1.532   1.927  -2.228
  369    HD1  TYR  50           HD2      TYR  50   2.780   2.976  -4.061
  370    HD2  TYR  50           HD1      TYR  50   3.023   4.507  -0.094
  371    HE1  TYR  50           HE2      TYR  50   4.782   4.262  -4.685
  372    HE2  TYR  50           HE1      TYR  50   5.029   5.791  -0.711
  373    HH   TYR  50           HH       TYR  50   6.008   6.278  -3.913
  374    H    VAL  51           H        VAL  51  -1.717   2.949  -3.440
  375    HA   VAL  51           HA       VAL  51  -3.136   1.252  -1.499
  376    HB   VAL  51           HB       VAL  51  -3.988   2.254  -4.232
  377   1HG1  VAL  51          1HG1      VAL  51  -4.979   0.061  -3.825
  378   2HG1  VAL  51          2HG1      VAL  51  -6.206   1.323  -3.706
  379   3HG1  VAL  51          3HG1      VAL  51  -5.547   0.592  -2.242
  380   1HG2  VAL  51          1HG2      VAL  51  -5.585   3.622  -2.994
  381   2HG2  VAL  51          2HG2      VAL  51  -3.936   3.973  -2.474
  382   3HG2  VAL  51          3HG2      VAL  51  -4.982   2.972  -1.468
  383    H    LEU  52           H        LEU  52  -3.324  -0.931  -1.678
  384    HA   LEU  52           HA       LEU  52  -1.568  -2.349  -3.427
  385   1HB   LEU  52          2HB       LEU  52  -2.143  -3.132  -1.154
  386   2HB   LEU  52          1HB       LEU  52  -3.793  -3.410  -1.673
  387    HG   LEU  52           HG       LEU  52  -2.985  -5.126  -3.270
  388   1HD1  LEU  52          1HD1      LEU  52  -0.289  -4.656  -1.996
  389   2HD1  LEU  52          2HD1      LEU  52  -0.736  -4.261  -3.656
  390   3HD1  LEU  52          3HD1      LEU  52  -0.688  -5.944  -3.134
  391   1HD2  LEU  52          1HD2      LEU  52  -2.112  -5.578  -0.414
  392   2HD2  LEU  52          2HD2      LEU  52  -2.438  -6.834  -1.610
  393   3HD2  LEU  52          3HD2      LEU  52  -3.744  -5.793  -1.048
  394    H    LYS  53           H        LYS  53  -1.922  -2.886  -5.447
  395    HA   LYS  53           HA       LYS  53  -4.334  -2.424  -6.833
  396   1HB   LYS  53          2HB       LYS  53  -2.105  -2.288  -7.846
  397   2HB   LYS  53          1HB       LYS  53  -1.888  -4.017  -7.623
  398   1HG   LYS  53          2HG       LYS  53  -3.597  -4.503  -9.244
  399   2HG   LYS  53          1HG       LYS  53  -4.022  -2.788  -9.370
  400   1HD   LYS  53          2HD       LYS  53  -1.886  -2.257 -10.321
  401   2HD   LYS  53          1HD       LYS  53  -1.277  -3.879  -9.997
  402   1HE   LYS  53          2HE       LYS  53  -2.925  -4.780 -11.602
  403   2HE   LYS  53          1HE       LYS  53  -3.438  -3.128 -11.963
  404   1HZ   LYS  53          1HZ       LYS  53  -1.203  -2.634 -12.729
  405   2HZ   LYS  53          2HZ       LYS  53  -1.830  -3.948 -13.583
  406   3HZ   LYS  53          3HZ       LYS  53  -0.697  -4.206 -12.357
  407    H    GLY  54           H        GLY  54  -6.123  -3.628  -6.857
  408   1HA   GLY  54          2HA       GLY  54  -7.418  -5.567  -7.111
  409   2HA   GLY  54          1HA       GLY  54  -5.992  -6.547  -6.814
  410    H    SER  55           H        SER  55  -6.456  -4.031  -4.549
  411    HA   SER  55           HA       SER  55  -7.153  -5.975  -2.479
  412   1HB   SER  55          2HB       SER  55  -6.535  -4.282  -0.881
  413   2HB   SER  55          1HB       SER  55  -5.311  -4.279  -2.152
  414    HG   SER  55           HG       SER  55  -5.830  -2.293  -2.595
  415    H    LYS  56           H        LYS  56  -8.561  -4.900  -0.632
  416    HA   LYS  56           HA       LYS  56 -11.198  -4.535  -1.441
  417   1HB   LYS  56          2HB       LYS  56 -11.551  -3.634   0.868
  418   2HB   LYS  56          1HB       LYS  56 -10.679  -5.162   0.817
  419   1HG   LYS  56          2HG       LYS  56  -8.551  -3.899   1.053
  420   2HG   LYS  56          1HG       LYS  56  -9.491  -2.419   1.247
  421   1HD   LYS  56          2HD       LYS  56  -9.711  -4.850   3.034
  422   2HD   LYS  56          1HD       LYS  56  -8.742  -3.422   3.398
  423   1HE   LYS  56          2HE       LYS  56 -10.765  -2.041   3.374
  424   2HE   LYS  56          1HE       LYS  56 -11.736  -3.464   2.996
  425   1HZ   LYS  56          1HZ       LYS  56 -11.154  -4.427   5.098
  426   2HZ   LYS  56          2HZ       LYS  56 -11.764  -2.873   5.362
  427   3HZ   LYS  56          3HZ       LYS  56 -10.101  -3.147   5.454
  428    H    ALA  57           H        ALA  57  -8.654  -2.128  -0.951
  429    HA   ALA  57           HA       ALA  57 -10.437   0.134  -1.110
  430   1HB   ALA  57          1HB       ALA  57  -8.410   0.208   0.255
  431   2HB   ALA  57          2HB       ALA  57  -8.407   1.480  -0.967
  432   3HB   ALA  57          3HB       ALA  57  -7.421   0.035  -1.194
  433    H    ASP  58           H        ASP  58  -8.385  -1.620  -3.348
  434    HA   ASP  58           HA       ASP  58  -8.613   0.361  -5.442
  435   1HB   ASP  58          2HB       ASP  58  -6.583  -0.930  -5.343
  436   2HB   ASP  58          1HB       ASP  58  -7.481  -2.443  -5.398
  437    H    ALA  59           H        ALA  59 -10.044  -2.797  -4.735
  438    HA   ALA  59           HA       ALA  59 -11.544  -2.876  -7.193
  439   1HB   ALA  59          1HB       ALA  59 -12.503  -4.942  -6.300
  440   2HB   ALA  59          2HB       ALA  59 -11.743  -4.623  -4.741
  441   3HB   ALA  59          3HB       ALA  59 -10.744  -4.937  -6.160
  442    H    LEU  60           H        LEU  60 -12.560  -2.745  -3.757
  443    HA   LEU  60           HA       LEU  60 -14.446  -2.014  -2.730
  444   1HB   LEU  60          2HB       LEU  60 -14.634  -0.199  -5.144
  445   2HB   LEU  60          1HB       LEU  60 -15.608  -0.034  -3.695
  446    HG   LEU  60           HG       LEU  60 -12.592   0.219  -3.782
  447   1HD1  LEU  60          1HD1      LEU  60 -12.958   2.610  -3.464
  448   2HD1  LEU  60          2HD1      LEU  60 -14.704   2.368  -3.560
  449   3HD1  LEU  60          3HD1      LEU  60 -13.690   2.057  -4.971
  450   1HD2  LEU  60          1HD2      LEU  60 -13.414  -0.576  -1.625
  451   2HD2  LEU  60          2HD2      LEU  60 -14.564   0.760  -1.557
  452   3HD2  LEU  60          3HD2      LEU  60 -12.831   1.085  -1.499
  453    H    GLU  61           H        GLU  61 -15.820  -3.701  -2.654
  454    HA   GLU  61           HA       GLU  61 -17.668  -4.951  -3.018
  455   1HB   GLU  61          2HB       GLU  61 -18.310  -2.869  -5.116
  456   2HB   GLU  61          1HB       GLU  61 -19.407  -4.152  -4.630
  457   1HG   GLU  61          2HG       GLU  61 -18.362  -1.933  -2.875
  458   2HG   GLU  61          1HG       GLU  61 -19.990  -2.070  -3.540
  459    H    HIS  62           H        HIS  62 -18.668  -6.492  -4.489
  460    HA   HIS  62           HA       HIS  62 -17.266  -7.046  -6.992
  461   1HB   HIS  62          2HB       HIS  62 -16.889  -9.449  -6.270
  462   2HB   HIS  62          1HB       HIS  62 -15.857  -8.254  -5.489
  463    HD1  HIS  62           HD1      HIS  62 -18.811 -10.503  -4.764
  464    HD2  HIS  62           HD2      HIS  62 -16.110  -8.072  -2.743
  465    HE1  HIS  62           HE1      HIS  62 -19.165 -10.980  -2.326
  466    HE2  HIS  62           HE2      HIS  62 -17.647  -9.378  -1.131
  467    H    HIS  63           H        HIS  63 -18.717  -7.639  -8.494
  468    HA   HIS  63           HA       HIS  63 -21.276  -8.829  -7.604
  469   1HB   HIS  63          2HB       HIS  63 -20.907  -6.762  -9.790
  470   2HB   HIS  63          1HB       HIS  63 -22.434  -7.502  -9.317
  471    HD1  HIS  63           HD1      HIS  63 -20.267  -4.673  -8.620
  472    HD2  HIS  63           HD2      HIS  63 -23.259  -6.739  -6.613
  473    HE1  HIS  63           HE1      HIS  63 -20.983  -3.166  -6.746
  474    HE2  HIS  63           HE2      HIS  63 -22.927  -4.351  -5.683
  475    H    HIS  64           H        HIS  64 -21.868 -10.643  -8.618
  476    HA   HIS  64           HA       HIS  64 -21.640 -10.964 -11.430
  477   1HB   HIS  64          2HB       HIS  64 -20.277 -12.998 -11.525
  478   2HB   HIS  64          1HB       HIS  64 -19.346 -11.638 -10.912
  479    HD1  HIS  64           HD1      HIS  64 -20.873 -14.900  -9.810
  480    HD2  HIS  64           HD2      HIS  64 -18.326 -11.955  -8.360
  481    HE1  HIS  64           HE1      HIS  64 -19.836 -15.865  -7.739
  482    HE2  HIS  64           HE2      HIS  64 -18.174 -14.136  -6.981
  483    H    HIS  65           H        HIS  65 -23.326 -12.122 -12.120
  484    HA   HIS  65           HA       HIS  65 -25.170 -13.175 -10.177
  485   1HB   HIS  65          2HB       HIS  65 -25.311 -13.176 -13.205
  486   2HB   HIS  65          1HB       HIS  65 -26.639 -13.576 -12.118
  487    HD1  HIS  65           HD1      HIS  65 -25.468 -10.870 -14.063
  488    HD2  HIS  65           HD2      HIS  65 -27.090 -11.191 -10.256
  489    HE1  HIS  65           HE1      HIS  65 -26.318  -8.578 -13.505
  490    HE2  HIS  65           HE2      HIS  65 -27.122  -8.758 -11.130
  491    H    HIS  66           H        HIS  66 -25.169 -15.174  -9.397
  492    HA   HIS  66           HA       HIS  66 -24.835 -17.407  -9.126
  493   1HB   HIS  66          2HB       HIS  66 -24.577 -17.430 -12.141
  494   2HB   HIS  66          1HB       HIS  66 -24.658 -18.872 -11.140
  495    HD1  HIS  66           HD1      HIS  66 -26.742 -16.510 -12.944
  496    HD2  HIS  66           HD2      HIS  66 -27.227 -19.136  -9.762
  497    HE1  HIS  66           HE1      HIS  66 -29.216 -16.813 -12.692
  498    HE2  HIS  66           HE2      HIS  66 -29.460 -18.601 -10.945
  499    H    HIS  67           H        HIS  67 -23.063 -19.200 -10.417
  500    HA   HIS  67           HA       HIS  67 -20.431 -17.955 -10.405
  501   1HB   HIS  67          2HB       HIS  67 -19.643 -19.696  -8.675
  502   2HB   HIS  67          1HB       HIS  67 -20.537 -18.300  -8.088
  503    HD1  HIS  67           HD1      HIS  67 -21.114 -21.959  -8.910
  504    HD2  HIS  67           HD2      HIS  67 -22.753 -18.922  -6.598
  505    HE1  HIS  67           HE1      HIS  67 -22.893 -23.057  -7.521
  506    HE2  HIS  67           HE2      HIS  67 -23.775 -21.234  -6.039
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1  -3.785  24.729   4.610
    2   2H    MET   1          2H        MET   1  -4.818  23.391   4.689
    3   3H    MET   1          3H        MET   1  -5.019  24.680   5.762
    4    HA   MET   1           HA       MET   1  -6.699  24.778   4.061
    5   1HB   MET   1          2HB       MET   1  -4.637  26.941   3.568
    6   2HB   MET   1          1HB       MET   1  -6.377  27.071   3.361
    7   1HG   MET   1          2HG       MET   1  -4.914  26.726   5.968
    8   2HG   MET   1          1HG       MET   1  -5.649  28.211   5.363
    9   1HE   MET   1          1HE       MET   1  -6.970  28.551   7.579
   10   2HE   MET   1          2HE       MET   1  -6.277  27.083   8.269
   11   3HE   MET   1          3HE       MET   1  -8.020  27.340   8.314
   12    H    THR   2           H        THR   2  -3.774  23.630   2.917
   13    HA   THR   2           HA       THR   2  -4.063  24.448   0.147
   14    HB   THR   2           HB       THR   2  -2.076  22.426   1.215
   15    HG1  THR   2           HG1      THR   2  -0.672  24.215   1.532
   16   1HG2  THR   2          1HG2      THR   2  -1.935  24.334  -1.133
   17   2HG2  THR   2          2HG2      THR   2  -2.239  22.601  -1.237
   18   3HG2  THR   2          3HG2      THR   2  -0.685  23.188  -0.649
   19    H    ILE   3           H        ILE   3  -5.564  22.105   1.909
   20    HA   ILE   3           HA       ILE   3  -6.892  20.358   1.355
   21    HB   ILE   3           HB       ILE   3  -6.139  21.155  -1.451
   22   1HG1  ILE   3          2HG1      ILE   3  -8.623  21.531  -1.607
   23   2HG1  ILE   3          1HG1      ILE   3  -8.739  21.137   0.104
   24   1HG2  ILE   3          1HG2      ILE   3  -7.683  19.470  -2.347
   25   2HG2  ILE   3          2HG2      ILE   3  -7.852  18.778  -0.732
   26   3HG2  ILE   3          3HG2      ILE   3  -6.290  18.740  -1.550
   27   1HD1  ILE   3          1HD1      ILE   3  -7.210  23.438  -1.088
   28   2HD1  ILE   3          2HD1      ILE   3  -7.314  23.053   0.630
   29   3HD1  ILE   3          3HD1      ILE   3  -8.762  23.528  -0.257
   30    H    GLN   4           H        GLN   4  -3.580  20.422   0.478
   31    HA   GLN   4           HA       GLN   4  -1.909  18.932   0.768
   32   1HB   GLN   4          2HB       GLN   4  -4.081  17.062   1.727
   33   2HB   GLN   4          1HB       GLN   4  -2.359  16.717   1.812
   34   1HG   GLN   4          2HG       GLN   4  -2.027  18.594   3.317
   35   2HG   GLN   4          1HG       GLN   4  -3.728  19.036   3.172
   36   1HE2  GLN   4          1HE2      GLN   4  -5.283  17.768   4.214
   37   2HE2  GLN   4          2HE2      GLN   4  -4.871  16.633   5.447
   38    H    ALA   5           H        ALA   5  -4.728  17.281  -0.655
   39    HA   ALA   5           HA       ALA   5  -4.997  15.998  -2.513
   40   1HB   ALA   5          1HB       ALA   5  -4.199  18.006  -3.655
   41   2HB   ALA   5          2HB       ALA   5  -3.675  16.544  -4.490
   42   3HB   ALA   5          3HB       ALA   5  -2.535  17.444  -3.490
   43    HA   PRO   6           HA       PRO   6  -1.747  12.994  -1.019
   44   1HB   PRO   6          2HB       PRO   6  -4.027  11.296  -0.295
   45   2HB   PRO   6          1HB       PRO   6  -2.706  11.882   0.719
   46   1HG   PRO   6          2HG       PRO   6  -5.244  12.777   0.986
   47   2HG   PRO   6          1HG       PRO   6  -3.835  13.801   1.312
   48   1HD   PRO   6          2HD       PRO   6  -5.589  13.712  -1.126
   49   2HD   PRO   6          1HD       PRO   6  -4.934  15.122  -0.260
   50    H    GLU   7           H        GLU   7  -1.272  12.711  -3.264
   51    HA   GLU   7           HA       GLU   7  -2.851  11.215  -5.050
   52   1HB   GLU   7          2HB       GLU   7   0.139  11.677  -5.019
   53   2HB   GLU   7          1HB       GLU   7  -0.742  10.962  -6.364
   54   1HG   GLU   7          2HG       GLU   7  -2.052  13.035  -6.588
   55   2HG   GLU   7          1HG       GLU   7  -1.117  13.749  -5.275
   56    H    THR   8           H        THR   8  -2.816   9.086  -5.696
   57    HA   THR   8           HA       THR   8  -1.948   7.172  -3.685
   58    HB   THR   8           HB       THR   8  -3.273   5.551  -5.026
   59    HG1  THR   8           HG1      THR   8  -4.554   6.412  -6.753
   60   1HG2  THR   8          1HG2      THR   8  -4.729   8.106  -4.330
   61   2HG2  THR   8          2HG2      THR   8  -4.369   6.781  -3.221
   62   3HG2  THR   8          3HG2      THR   8  -5.484   6.529  -4.562
   63    H    LYS   9           H        LYS   9  -0.503   5.525  -4.006
   64    HA   LYS   9           HA       LYS   9   0.958   5.455  -6.575
   65   1HB   LYS   9          2HB       LYS   9   2.282   6.249  -4.593
   66   2HB   LYS   9          1HB       LYS   9   2.009   4.687  -3.835
   67   1HG   LYS   9          2HG       LYS   9   3.209   3.593  -5.694
   68   2HG   LYS   9          1HG       LYS   9   3.517   5.180  -6.406
   69   1HD   LYS   9          2HD       LYS   9   4.745   5.830  -4.356
   70   2HD   LYS   9          1HD       LYS   9   4.478   4.213  -3.702
   71   1HE   LYS   9          2HE       LYS   9   6.688   4.294  -4.611
   72   2HE   LYS   9          1HE       LYS   9   5.702   3.289  -5.672
   73   1HZ   LYS   9          1HZ       LYS   9   7.087   4.779  -6.949
   74   2HZ   LYS   9          2HZ       LYS   9   6.457   6.123  -6.145
   75   3HZ   LYS   9          3HZ       LYS   9   5.464   5.204  -7.157
   76    H    ILE  10           H        ILE  10  -0.047   3.816  -7.644
   77    HA   ILE  10           HA       ILE  10  -1.196   1.577  -6.251
   78    HB   ILE  10           HB       ILE  10  -1.040   2.291  -9.180
   79   1HG1  ILE  10          2HG1      ILE  10  -3.545   2.403  -8.909
   80   2HG1  ILE  10          1HG1      ILE  10  -3.322   2.141  -7.184
   81   1HG2  ILE  10          1HG2      ILE  10  -2.538   0.362  -9.620
   82   2HG2  ILE  10          2HG2      ILE  10  -2.258  -0.191  -7.970
   83   3HG2  ILE  10          3HG2      ILE  10  -0.917  -0.115  -9.113
   84   1HD1  ILE  10          1HD1      ILE  10  -2.260   4.477  -8.754
   85   2HD1  ILE  10          2HD1      ILE  10  -2.094   4.229  -7.015
   86   3HD1  ILE  10          3HD1      ILE  10  -3.690   4.485  -7.722
   87    H    VAL  11           H        VAL  11  -0.251  -0.269  -5.755
   88    HA   VAL  11           HA       VAL  11   1.863  -1.376  -7.483
   89    HB   VAL  11           HB       VAL  11   3.090  -2.177  -5.470
   90   1HG1  VAL  11          1HG1      VAL  11   3.866  -0.174  -6.618
   91   2HG1  VAL  11          2HG1      VAL  11   4.126  -0.025  -4.879
   92   3HG1  VAL  11          3HG1      VAL  11   2.784   0.825  -5.646
   93   1HG2  VAL  11          1HG2      VAL  11   1.251  -2.123  -3.859
   94   2HG2  VAL  11          2HG2      VAL  11   1.203  -0.361  -3.954
   95   3HG2  VAL  11          3HG2      VAL  11   2.618  -1.171  -3.275
   96    H    ASP  12           H        ASP  12   2.169  -3.731  -7.173
   97    HA   ASP  12           HA       ASP  12  -0.334  -5.058  -6.388
   98   1HB   ASP  12          2HB       ASP  12   1.947  -5.945  -8.161
   99   2HB   ASP  12          1HB       ASP  12   0.646  -7.022  -7.657
  100    H    LYS  13           H        LYS  13   2.901  -4.647  -5.352
  101    HA   LYS  13           HA       LYS  13   2.676  -6.932  -3.506
  102   1HB   LYS  13          2HB       LYS  13   5.103  -6.683  -3.143
  103   2HB   LYS  13          1HB       LYS  13   4.705  -6.979  -4.829
  104   1HG   LYS  13          2HG       LYS  13   4.957  -4.551  -5.274
  105   2HG   LYS  13          1HG       LYS  13   5.461  -4.330  -3.596
  106   1HD   LYS  13          2HD       LYS  13   7.357  -5.839  -3.962
  107   2HD   LYS  13          1HD       LYS  13   6.851  -6.083  -5.637
  108   1HE   LYS  13          2HE       LYS  13   8.659  -4.473  -5.550
  109   2HE   LYS  13          1HE       LYS  13   7.173  -3.669  -6.055
  110   1HZ   LYS  13          1HZ       LYS  13   8.269  -3.639  -3.292
  111   2HZ   LYS  13          2HZ       LYS  13   6.904  -2.805  -3.831
  112   3HZ   LYS  13          3HZ       LYS  13   8.435  -2.384  -4.416
  113    H    SER  14           H        SER  14   2.898  -6.668  -1.290
  114    HA   SER  14           HA       SER  14   1.791  -4.193  -0.340
  115   1HB   SER  14          2HB       SER  14   2.564  -6.725   1.110
  116   2HB   SER  14          1HB       SER  14   1.770  -5.352   1.877
  117    HG   SER  14           HG       SER  14   0.764  -7.081  -0.132
  118    H    ARG  15           H        ARG  15   5.030  -5.089  -0.742
  119    HA   ARG  15           HA       ARG  15   5.835  -3.191   1.369
  120   1HB   ARG  15          2HB       ARG  15   7.431  -5.371   0.016
  121   2HB   ARG  15          1HB       ARG  15   8.093  -4.221   1.176
  122   1HG   ARG  15          2HG       ARG  15   6.614  -5.052   2.905
  123   2HG   ARG  15          1HG       ARG  15   5.840  -6.143   1.754
  124   1HD   ARG  15          2HD       ARG  15   7.965  -7.322   1.452
  125   2HD   ARG  15          1HD       ARG  15   8.733  -6.221   2.590
  126    HE   ARG  15           HE       ARG  15   6.808  -7.197   4.117
  127   1HH1  ARG  15          1HH1      ARG  15   9.002  -8.813   2.003
  128   2HH1  ARG  15          2HH1      ARG  15   8.870 -10.317   2.842
  129   1HH2  ARG  15          1HH2      ARG  15   6.682  -9.125   5.201
  130   2HH2  ARG  15          2HH2      ARG  15   7.565 -10.496   4.625
  131    H    VAL  16           H        VAL  16   6.397  -1.243   0.757
  132    HA   VAL  16           HA       VAL  16   7.765  -0.843  -1.830
  133    HB   VAL  16           HB       VAL  16   5.597   0.994  -0.777
  134   1HG1  VAL  16          1HG1      VAL  16   5.757   2.065  -2.982
  135   2HG1  VAL  16          2HG1      VAL  16   7.077   0.977  -3.410
  136   3HG1  VAL  16          3HG1      VAL  16   7.286   2.146  -2.106
  137   1HG2  VAL  16          1HG2      VAL  16   4.215   0.191  -2.652
  138   2HG2  VAL  16          2HG2      VAL  16   4.580  -1.092  -1.500
  139   3HG2  VAL  16          3HG2      VAL  16   5.448  -1.013  -3.033
  140    H    ALA  17           H        ALA  17   9.379   0.693  -1.813
  141    HA   ALA  17           HA       ALA  17  10.148   1.754   0.807
  142   1HB   ALA  17          1HB       ALA  17  11.840   0.534  -0.496
  143   2HB   ALA  17          2HB       ALA  17  12.317   2.207  -0.207
  144   3HB   ALA  17          3HB       ALA  17  11.697   1.727  -1.788
  145    H    CYS  18           H        CYS  18   9.856   3.842   1.348
  146    HA   CYS  18           HA       CYS  18   8.598   5.725  -0.347
  147   1HB   CYS  18          2HB       CYS  18   8.406   5.926   2.058
  148   2HB   CYS  18          1HB       CYS  18  10.145   6.130   2.223
  149    HG   CYS  18           HG       CYS  18   8.826   8.434   0.227
  150    H    ASP  19           H        ASP  19   9.613   6.231  -2.221
  151    HA   ASP  19           HA       ASP  19  12.430   6.406  -2.491
  152   1HB   ASP  19          2HB       ASP  19  10.194   7.231  -4.345
  153   2HB   ASP  19          1HB       ASP  19  11.899   7.273  -4.788
  154    H    GLY  20           H        GLY  20   9.912   8.990  -2.510
  155   1HA   GLY  20          2HA       GLY  20  11.913  10.931  -1.707
  156   2HA   GLY  20          1HA       GLY  20  11.405  11.092  -3.371
  157    H    GLY  21           H        GLY  21  10.443  13.048  -3.230
  158   1HA   GLY  21          2HA       GLY  21   8.524  14.370  -2.969
  159   2HA   GLY  21          1HA       GLY  21   7.899  13.209  -1.814
  160    H    GLU  22           H        GLU  22  10.938  13.700  -0.771
  161    HA   GLU  22           HA       GLU  22  10.088  15.664   1.228
  162   1HB   GLU  22          2HB       GLU  22  11.163  13.418   1.806
  163   2HB   GLU  22          1HB       GLU  22  12.663  14.085   1.184
  164   1HG   GLU  22          2HG       GLU  22  12.664  14.304   3.557
  165   2HG   GLU  22          1HG       GLU  22  12.486  15.911   2.852
  166    H    GLY  23           H        GLY  23  10.709  17.747   1.091
  167   1HA   GLY  23          2HA       GLY  23  11.651  19.654   0.163
  168   2HA   GLY  23          1HA       GLY  23  13.128  18.893   0.725
  169    H    ALA  24           H        ALA  24  14.505  17.898  -0.775
  170    HA   ALA  24           HA       ALA  24  14.230  18.689  -3.545
  171   1HB   ALA  24          1HB       ALA  24  16.410  18.733  -2.433
  172   2HB   ALA  24          2HB       ALA  24  16.429  17.647  -3.823
  173   3HB   ALA  24          3HB       ALA  24  16.330  16.989  -2.189
  174    H    LEU  25           H        LEU  25  12.240  16.844  -2.488
  175    HA   LEU  25           HA       LEU  25  11.139  14.936  -2.841
  176   1HB   LEU  25          2HB       LEU  25  10.885  14.248  -5.218
  177   2HB   LEU  25          1HB       LEU  25  10.573  15.935  -4.889
  178    HG   LEU  25           HG       LEU  25  12.943  16.376  -5.782
  179   1HD1  LEU  25          1HD1      LEU  25  13.805  14.738  -7.376
  180   2HD1  LEU  25          2HD1      LEU  25  12.539  13.603  -6.902
  181   3HD1  LEU  25          3HD1      LEU  25  13.774  14.086  -5.738
  182   1HD2  LEU  25          1HD2      LEU  25  12.142  16.387  -8.098
  183   2HD2  LEU  25          2HD2      LEU  25  10.922  16.992  -6.978
  184   3HD2  LEU  25          3HD2      LEU  25  10.786  15.360  -7.632
  185    H    GLY  26           H        GLY  26  13.582  14.368  -1.652
  186   1HA   GLY  26          2HA       GLY  26  14.050  11.644  -2.738
  187   2HA   GLY  26          1HA       GLY  26  15.385  12.651  -2.223
  188    H    HIS  27           H        HIS  27  14.552   9.993  -1.282
  189    HA   HIS  27           HA       HIS  27  14.667  10.622   1.589
  190   1HB   HIS  27          2HB       HIS  27  12.747   8.693   0.281
  191   2HB   HIS  27          1HB       HIS  27  13.256   8.470   1.950
  192    HD1  HIS  27           HD1      HIS  27  10.633   9.942   0.064
  193    HD2  HIS  27           HD2      HIS  27  12.688  10.997   3.517
  194    HE1  HIS  27           HE1      HIS  27   9.172  11.603   1.228
  195    HE2  HIS  27           HE2      HIS  27  10.498  12.352   3.237
  196    HA   PRO  28           HA       PRO  28  18.022   7.746   1.651
  197   1HB   PRO  28          2HB       PRO  28  17.852   6.689   4.159
  198   2HB   PRO  28          1HB       PRO  28  18.420   8.328   3.824
  199   1HG   PRO  28          2HG       PRO  28  15.717   7.408   4.736
  200   2HG   PRO  28          1HG       PRO  28  16.668   8.807   5.273
  201   1HD   PRO  28          2HD       PRO  28  14.608   9.027   3.521
  202   2HD   PRO  28          1HD       PRO  28  16.022  10.099   3.473
  203    H    ARG  29           H        ARG  29  15.597   5.936   3.581
  204    HA   ARG  29           HA       ARG  29  15.098   3.885   1.802
  205   1HB   ARG  29          2HB       ARG  29  17.544   3.488   1.945
  206   2HB   ARG  29          1HB       ARG  29  17.382   3.217   3.671
  207   1HG   ARG  29          2HG       ARG  29  15.767   1.551   1.796
  208   2HG   ARG  29          1HG       ARG  29  17.475   1.214   1.996
  209   1HD   ARG  29          2HD       ARG  29  16.980   1.202   4.521
  210   2HD   ARG  29          1HD       ARG  29  15.289   1.093   4.048
  211    HE   ARG  29           HE       ARG  29  16.523  -0.905   2.654
  212   1HH1  ARG  29          1HH1      ARG  29  16.280  -0.087   5.996
  213   2HH1  ARG  29          2HH1      ARG  29  16.402  -1.733   6.509
  214   1HH2  ARG  29          1HH2      ARG  29  16.680  -3.000   3.333
  215   2HH2  ARG  29          2HH2      ARG  29  16.609  -3.364   5.022
  216    H    VAL  30           H        VAL  30  13.168   4.036   2.744
  217    HA   VAL  30           HA       VAL  30  12.863   2.474   5.214
  218    HB   VAL  30           HB       VAL  30  10.850   3.871   5.828
  219   1HG1  VAL  30          1HG1      VAL  30  12.966   4.092   7.025
  220   2HG1  VAL  30          2HG1      VAL  30  12.153   5.651   6.897
  221   3HG1  VAL  30          3HG1      VAL  30  13.522   5.281   5.849
  222   1HG2  VAL  30          1HG2      VAL  30  10.707   6.152   4.939
  223   2HG2  VAL  30          2HG2      VAL  30  10.491   4.955   3.663
  224   3HG2  VAL  30          3HG2      VAL  30  12.029   5.805   3.823
  225    H    TRP  31           H        TRP  31  11.707   0.714   4.834
  226    HA   TRP  31           HA       TRP  31   9.976   0.615   2.457
  227   1HB   TRP  31          2HB       TRP  31  11.197  -1.585   4.148
  228   2HB   TRP  31          1HB       TRP  31  10.088  -1.873   2.808
  229    HD1  TRP  31           HD1      TRP  31  13.538  -0.144   3.360
  230    HE1  TRP  31           HE1      TRP  31  14.946  -0.511   1.236
  231    HE3  TRP  31           HE3      TRP  31  10.081  -2.622   0.517
  232    HZ2  TRP  31           HZ2      TRP  31  14.634  -1.710  -1.302
  233    HZ3  TRP  31           HZ3      TRP  31  10.715  -3.346  -1.748
  234    HH2  TRP  31           HH2      TRP  31  12.947  -2.897  -2.637
  235    H    LEU  32           H        LEU  32   7.894   1.009   2.800
  236    HA   LEU  32           HA       LEU  32   6.692   0.518   5.407
  237   1HB   LEU  32          2HB       LEU  32   5.606   1.864   2.928
  238   2HB   LEU  32          1HB       LEU  32   4.684   1.641   4.403
  239    HG   LEU  32           HG       LEU  32   6.482   3.003   5.586
  240   1HD1  LEU  32          1HD1      LEU  32   7.270   3.668   2.751
  241   2HD1  LEU  32          2HD1      LEU  32   8.255   2.817   3.941
  242   3HD1  LEU  32          3HD1      LEU  32   7.830   4.507   4.199
  243   1HD2  LEU  32          1HD2      LEU  32   5.541   5.137   4.873
  244   2HD2  LEU  32          2HD2      LEU  32   4.283   3.911   5.026
  245   3HD2  LEU  32          3HD2      LEU  32   4.872   4.373   3.430
  246    H    GLN  33           H        GLN  33   5.353  -1.100   5.882
  247    HA   GLN  33           HA       GLN  33   4.612  -3.049   3.813
  248   1HB   GLN  33          2HB       GLN  33   5.637  -3.868   5.897
  249   2HB   GLN  33          1HB       GLN  33   4.359  -3.119   6.841
  250   1HG   GLN  33          2HG       GLN  33   3.912  -5.449   6.719
  251   2HG   GLN  33          1HG       GLN  33   2.726  -4.625   5.714
  252   1HE2  GLN  33          1HE2      GLN  33   2.790  -4.920   3.503
  253   2HE2  GLN  33          2HE2      GLN  33   3.729  -6.162   2.756
  254    H    ILE  34           H        ILE  34   2.838  -2.475   2.743
  255    HA   ILE  34           HA       ILE  34   0.653  -0.981   3.663
  256    HB   ILE  34           HB       ILE  34   0.775  -3.035   1.441
  257   1HG1  ILE  34          2HG1      ILE  34   0.868  -0.011   1.307
  258   2HG1  ILE  34          1HG1      ILE  34   2.284  -1.048   1.225
  259   1HG2  ILE  34          1HG2      ILE  34  -1.267  -1.987   0.558
  260   2HG2  ILE  34          2HG2      ILE  34  -1.363  -0.969   1.994
  261   3HG2  ILE  34          3HG2      ILE  34  -1.539  -2.717   2.139
  262   1HD1  ILE  34          1HD1      ILE  34   0.002  -1.019  -0.736
  263   2HD1  ILE  34          2HD1      ILE  34   1.431  -2.050  -0.829
  264   3HD1  ILE  34          3HD1      ILE  34   1.591  -0.299  -0.977
  265    HA   PRO  35           HA       PRO  35  -1.319  -4.190   6.136
  266   1HB   PRO  35          2HB       PRO  35  -3.364  -2.725   7.082
  267   2HB   PRO  35          1HB       PRO  35  -1.708  -2.453   7.640
  268   1HG   PRO  35          2HG       PRO  35  -3.271  -0.949   5.562
  269   2HG   PRO  35          1HG       PRO  35  -2.293  -0.304   6.889
  270   1HD   PRO  35          2HD       PRO  35  -1.377  -0.511   4.329
  271   2HD   PRO  35          1HD       PRO  35  -0.310  -0.631   5.739
  272    H    GLU  36           H        GLU  36  -2.136  -5.696   4.683
  273    HA   GLU  36           HA       GLU  36  -4.036  -5.212   2.680
  274   1HB   GLU  36          2HB       GLU  36  -2.635  -7.282   2.902
  275   2HB   GLU  36          1HB       GLU  36  -3.690  -7.806   4.209
  276   1HG   GLU  36          2HG       GLU  36  -5.594  -7.815   2.658
  277   2HG   GLU  36          1HG       GLU  36  -4.523  -7.310   1.353
  278    H    ASP  37           H        ASP  37  -4.387  -5.469   6.076
  279    HA   ASP  37           HA       ASP  37  -7.069  -6.038   6.469
  280   1HB   ASP  37          2HB       ASP  37  -5.547  -3.865   7.932
  281   2HB   ASP  37          1HB       ASP  37  -6.856  -4.867   8.555
  282    H    THR  38           H        THR  38  -5.536  -2.950   5.611
  283    HA   THR  38           HA       THR  38  -8.152  -1.691   5.167
  284    HB   THR  38           HB       THR  38  -6.960   0.416   4.955
  285    HG1  THR  38           HG1      THR  38  -4.706   0.511   4.995
  286   1HG2  THR  38          1HG2      THR  38  -7.428  -0.301   7.235
  287   2HG2  THR  38          2HG2      THR  38  -5.896   0.569   7.175
  288   3HG2  THR  38          3HG2      THR  38  -5.905  -1.192   7.288
  289    H    GLY  39           H        GLY  39  -5.031  -2.002   3.469
  290   1HA   GLY  39          2HA       GLY  39  -5.089  -2.914   1.154
  291   2HA   GLY  39          1HA       GLY  39  -6.484  -1.879   0.884
  292    H    TRP  40           H        TRP  40  -4.383  -0.199   2.826
  293    HA   TRP  40           HA       TRP  40  -2.611   0.873   0.831
  294   1HB   TRP  40          2HB       TRP  40  -3.632   3.184   0.883
  295   2HB   TRP  40          1HB       TRP  40  -4.604   1.982   0.038
  296    HD1  TRP  40           HD1      TRP  40  -6.980   1.407   1.027
  297    HE1  TRP  40           HE1      TRP  40  -8.420   2.442   2.887
  298    HE3  TRP  40           HE3      TRP  40  -3.443   4.371   3.239
  299    HZ2  TRP  40           HZ2      TRP  40  -8.105   4.268   5.008
  300    HZ3  TRP  40           HZ3      TRP  40  -4.096   5.727   5.184
  301    HH2  TRP  40           HH2      TRP  40  -6.382   5.675   6.048
  302    H    VAL  41           H        VAL  41  -1.206   2.590   1.696
  303    HA   VAL  41           HA       VAL  41  -1.553   3.295   4.512
  304    HB   VAL  41           HB       VAL  41  -0.150   1.267   4.599
  305   1HG1  VAL  41          1HG1      VAL  41   2.104   1.232   3.668
  306   2HG1  VAL  41          2HG1      VAL  41   1.844   2.822   2.947
  307   3HG1  VAL  41          3HG1      VAL  41   0.903   1.436   2.394
  308   1HG2  VAL  41          1HG2      VAL  41   1.364   3.795   5.285
  309   2HG2  VAL  41          2HG2      VAL  41   1.695   2.188   5.935
  310   3HG2  VAL  41          3HG2      VAL  41   0.166   2.989   6.299
  311    H    GLU  42           H        GLU  42  -1.062   5.407   4.835
  312    HA   GLU  42           HA       GLU  42   0.216   6.882   2.660
  313   1HB   GLU  42          2HB       GLU  42  -0.459   8.909   3.997
  314   2HB   GLU  42          1HB       GLU  42  -1.786   7.901   3.440
  315   1HG   GLU  42          2HG       GLU  42  -1.969   6.909   5.670
  316   2HG   GLU  42          1HG       GLU  42  -0.631   7.916   6.226
  317    H    CYS  43           H        CYS  43   2.125   8.007   2.816
  318    HA   CYS  43           HA       CYS  43   4.064   6.940   4.611
  319   1HB   CYS  43          2HB       CYS  43   4.679   7.585   2.343
  320   2HB   CYS  43          1HB       CYS  43   4.257   9.259   2.679
  321    HG   CYS  43           HG       CYS  43   7.165   7.989   2.841
  322    HA   PRO  44           HA       PRO  44   3.418   9.836   7.973
  323   1HB   PRO  44          2HB       PRO  44   5.552   9.085   9.495
  324   2HB   PRO  44          1HB       PRO  44   4.064   8.135   9.386
  325   1HG   PRO  44          2HG       PRO  44   6.665   7.750   7.940
  326   2HG   PRO  44          1HG       PRO  44   5.622   6.539   8.711
  327   1HD   PRO  44          2HD       PRO  44   5.622   6.960   6.037
  328   2HD   PRO  44          1HD       PRO  44   4.160   6.472   6.922
  329    H    TYR  45           H        TYR  45   6.441   9.577   6.182
  330    HA   TYR  45           HA       TYR  45   7.538  12.040   7.210
  331   1HB   TYR  45          2HB       TYR  45   8.357  10.359   4.825
  332   2HB   TYR  45          1HB       TYR  45   9.239  11.766   5.403
  333    HD1  TYR  45           HD2      TYR  45  10.392  11.686   7.607
  334    HD2  TYR  45           HD1      TYR  45   8.595   8.223   5.896
  335    HE1  TYR  45           HE2      TYR  45  11.714  10.261   9.110
  336    HE2  TYR  45           HE1      TYR  45   9.919   6.791   7.396
  337    HH   TYR  45           HH       TYR  45  11.661   8.021  10.068
  338    H    CYS  46           H        CYS  46   7.427  11.525   3.754
  339    HA   CYS  46           HA       CYS  46   5.316  13.288   3.110
  340   1HB   CYS  46          2HB       CYS  46   6.798  15.021   4.013
  341   2HB   CYS  46          1HB       CYS  46   8.100  14.487   2.957
  342    HG   CYS  46           HG       CYS  46   6.954  15.341   0.613
  343    H    ASP  47           H        ASP  47   5.018  11.436   1.762
  344    HA   ASP  47           HA       ASP  47   6.577  11.535  -0.729
  345   1HB   ASP  47          2HB       ASP  47   7.463   9.695   0.683
  346   2HB   ASP  47          1HB       ASP  47   5.859   8.982   0.749
  347    H    CYS  48           H        CYS  48   4.274   8.998  -0.119
  348    HA   CYS  48           HA       CYS  48   2.005  10.453  -1.202
  349   1HB   CYS  48          2HB       CYS  48   3.292   8.149  -2.690
  350   2HB   CYS  48          1HB       CYS  48   1.657   8.709  -3.003
  351    HG   CYS  48           HG       CYS  48   3.534  11.344  -3.193
  352    H    LYS  49           H        LYS  49   0.266   8.447  -1.734
  353    HA   LYS  49           HA       LYS  49   0.215   6.826   0.738
  354   1HB   LYS  49          2HB       LYS  49  -1.617   8.432   0.585
  355   2HB   LYS  49          1HB       LYS  49  -2.069   7.805  -0.992
  356   1HG   LYS  49          2HG       LYS  49  -2.867   5.780  -0.075
  357   2HG   LYS  49          1HG       LYS  49  -2.098   6.098   1.482
  358   1HD   LYS  49          2HD       LYS  49  -4.556   6.482   1.512
  359   2HD   LYS  49          1HD       LYS  49  -3.622   7.916   1.932
  360   1HE   LYS  49          2HE       LYS  49  -3.881   8.710  -0.411
  361   2HE   LYS  49          1HE       LYS  49  -4.915   7.319  -0.731
  362   1HZ   LYS  49          1HZ       LYS  49  -5.470   9.420   1.300
  363   2HZ   LYS  49          2HZ       LYS  49  -6.484   8.130   0.887
  364   3HZ   LYS  49          3HZ       LYS  49  -6.170   9.345  -0.239
  365    H    TYR  50           H        TYR  50   0.582   4.712   0.467
  366    HA   TYR  50           HA       TYR  50   0.881   3.676  -2.220
  367   1HB   TYR  50          2HB       TYR  50   1.432   2.293   0.423
  368   2HB   TYR  50          1HB       TYR  50   2.038   1.827  -1.165
  369    HD1  TYR  50           HD1      TYR  50   3.819   3.142  -2.248
  370    HD2  TYR  50           HD2      TYR  50   2.444   4.120   1.660
  371    HE1  TYR  50           HE1      TYR  50   5.794   4.562  -1.912
  372    HE2  TYR  50           HE2      TYR  50   4.417   5.543   2.001
  373    HH   TYR  50           HH       TYR  50   6.446   6.497  -0.522
  374    H    VAL  51           H        VAL  51  -0.746   2.693  -3.246
  375    HA   VAL  51           HA       VAL  51  -2.872   1.414  -1.641
  376    HB   VAL  51           HB       VAL  51  -3.046   2.552  -4.442
  377   1HG1  VAL  51          1HG1      VAL  51  -4.544   0.652  -4.196
  378   2HG1  VAL  51          2HG1      VAL  51  -5.474   2.148  -4.230
  379   3HG1  VAL  51          3HG1      VAL  51  -5.191   1.321  -2.699
  380   1HG2  VAL  51          1HG2      VAL  51  -4.478   4.269  -3.423
  381   2HG2  VAL  51          2HG2      VAL  51  -2.854   4.288  -2.735
  382   3HG2  VAL  51          3HG2      VAL  51  -4.187   3.568  -1.831
  383    H    LEU  52           H        LEU  52  -3.051  -0.700  -1.721
  384    HA   LEU  52           HA       LEU  52  -1.541  -2.295  -3.596
  385   1HB   LEU  52          2HB       LEU  52  -1.777  -2.906  -1.200
  386   2HB   LEU  52          1HB       LEU  52  -3.497  -3.132  -1.442
  387    HG   LEU  52           HG       LEU  52  -3.022  -4.996  -3.003
  388   1HD1  LEU  52          1HD1      LEU  52  -0.145  -4.545  -2.193
  389   2HD1  LEU  52          2HD1      LEU  52  -0.831  -4.265  -3.794
  390   3HD1  LEU  52          3HD1      LEU  52  -0.752  -5.902  -3.144
  391   1HD2  LEU  52          1HD2      LEU  52  -1.733  -5.252  -0.280
  392   2HD2  LEU  52          2HD2      LEU  52  -2.259  -6.593  -1.297
  393   3HD2  LEU  52          3HD2      LEU  52  -3.445  -5.461  -0.648
  394    H    LYS  53           H        LYS  53  -2.323  -2.489  -5.624
  395    HA   LYS  53           HA       LYS  53  -5.042  -2.200  -6.356
  396   1HB   LYS  53          2HB       LYS  53  -3.154  -1.757  -7.883
  397   2HB   LYS  53          1HB       LYS  53  -2.786  -3.476  -7.924
  398   1HG   LYS  53          2HG       LYS  53  -4.824  -3.965  -9.076
  399   2HG   LYS  53          1HG       LYS  53  -5.421  -2.323  -8.832
  400   1HD   LYS  53          2HD       LYS  53  -4.635  -2.638 -11.122
  401   2HD   LYS  53          1HD       LYS  53  -3.641  -1.455 -10.272
  402   1HE   LYS  53          2HE       LYS  53  -2.245  -2.934 -11.586
  403   2HE   LYS  53          1HE       LYS  53  -1.949  -3.192  -9.867
  404   1HZ   LYS  53          1HZ       LYS  53  -3.386  -5.142  -9.963
  405   2HZ   LYS  53          2HZ       LYS  53  -2.097  -5.280 -11.048
  406   3HZ   LYS  53          3HZ       LYS  53  -3.641  -4.895 -11.615
  407    H    GLY  54           H        GLY  54  -6.562  -3.756  -7.129
  408   1HA   GLY  54          2HA       GLY  54  -7.556  -5.872  -7.223
  409   2HA   GLY  54          1HA       GLY  54  -6.081  -6.578  -6.579
  410    H    SER  55           H        SER  55  -6.985  -3.943  -4.734
  411    HA   SER  55           HA       SER  55  -8.269  -5.659  -2.703
  412   1HB   SER  55          2HB       SER  55  -6.217  -4.799  -1.829
  413   2HB   SER  55          1HB       SER  55  -6.550  -3.182  -2.448
  414    HG   SER  55           HG       SER  55  -7.215  -4.240  -0.074
  415    H    LYS  56           H        LYS  56  -9.688  -4.328  -1.129
  416    HA   LYS  56           HA       LYS  56 -11.836  -3.136  -2.516
  417   1HB   LYS  56          2HB       LYS  56 -12.676  -2.481  -0.274
  418   2HB   LYS  56          1HB       LYS  56 -12.210  -4.173  -0.370
  419   1HG   LYS  56          2HG       LYS  56 -10.103  -3.661   0.768
  420   2HG   LYS  56          1HG       LYS  56 -10.569  -1.960   0.861
  421   1HD   LYS  56          2HD       LYS  56 -12.494  -2.541   2.243
  422   2HD   LYS  56          1HD       LYS  56 -12.103  -4.255   2.100
  423   1HE   LYS  56          2HE       LYS  56 -10.390  -2.146   3.418
  424   2HE   LYS  56          1HE       LYS  56 -11.365  -3.356   4.249
  425   1HZ   LYS  56          1HZ       LYS  56  -9.014  -3.873   2.504
  426   2HZ   LYS  56          2HZ       LYS  56  -9.996  -5.078   3.172
  427   3HZ   LYS  56          3HZ       LYS  56  -9.094  -4.072   4.183
  428    H    ALA  57           H        ALA  57  -8.846  -1.811  -1.425
  429    HA   ALA  57           HA       ALA  57  -9.614   0.953  -1.420
  430   1HB   ALA  57          1HB       ALA  57  -7.624   0.144  -0.229
  431   2HB   ALA  57          2HB       ALA  57  -7.208   1.400  -1.394
  432   3HB   ALA  57          3HB       ALA  57  -6.879  -0.293  -1.767
  433    H    ASP  58           H        ASP  58  -8.726  -1.349  -3.842
  434    HA   ASP  58           HA       ASP  58  -8.519   0.678  -5.946
  435   1HB   ASP  58          2HB       ASP  58  -6.863  -1.076  -6.007
  436   2HB   ASP  58          1HB       ASP  58  -8.098  -2.320  -5.893
  437    H    ALA  59           H        ALA  59 -10.750  -1.502  -4.534
  438    HA   ALA  59           HA       ALA  59 -12.937  -1.984  -4.889
  439   1HB   ALA  59          1HB       ALA  59 -12.843   0.031  -7.140
  440   2HB   ALA  59          2HB       ALA  59 -13.256   0.385  -5.461
  441   3HB   ALA  59          3HB       ALA  59 -14.293  -0.669  -6.422
  442    H    LEU  60           H        LEU  60 -12.973  -4.048  -5.485
  443    HA   LEU  60           HA       LEU  60 -11.618  -5.280  -7.508
  444   1HB   LEU  60          2HB       LEU  60 -14.284  -6.118  -6.363
  445   2HB   LEU  60          1HB       LEU  60 -13.207  -7.160  -7.276
  446    HG   LEU  60           HG       LEU  60 -12.616  -5.905  -4.588
  447   1HD1  LEU  60          1HD1      LEU  60 -13.053  -8.793  -5.345
  448   2HD1  LEU  60          2HD1      LEU  60 -14.205  -7.767  -4.491
  449   3HD1  LEU  60          3HD1      LEU  60 -12.665  -8.178  -3.738
  450   1HD2  LEU  60          1HD2      LEU  60 -10.589  -6.026  -5.930
  451   2HD2  LEU  60          2HD2      LEU  60 -10.907  -7.722  -6.297
  452   3HD2  LEU  60          3HD2      LEU  60 -10.543  -7.231  -4.643
  453    H    GLU  61           H        GLU  61 -12.199  -6.227  -9.508
  454    HA   GLU  61           HA       GLU  61 -12.832  -6.105 -11.668
  455   1HB   GLU  61          2HB       GLU  61 -15.243  -4.571 -10.665
  456   2HB   GLU  61          1HB       GLU  61 -15.025  -5.151 -12.311
  457   1HG   GLU  61          2HG       GLU  61 -15.265  -6.851  -9.832
  458   2HG   GLU  61          1HG       GLU  61 -16.490  -6.627 -11.077
  459    H    HIS  62           H        HIS  62 -14.194  -2.927 -10.828
  460    HA   HIS  62           HA       HIS  62 -13.620  -0.809 -11.462
  461   1HB   HIS  62          2HB       HIS  62 -11.806  -1.493  -9.786
  462   2HB   HIS  62          1HB       HIS  62 -10.754  -1.723 -11.171
  463    HD1  HIS  62           HD1      HIS  62  -9.775   0.270  -9.230
  464    HD2  HIS  62           HD2      HIS  62 -12.447   1.322 -12.244
  465    HE1  HIS  62           HE1      HIS  62  -9.506   2.744  -9.542
  466    HE2  HIS  62           HE2      HIS  62 -11.246   3.380 -11.243
  467    H    HIS  63           H        HIS  63 -13.851  -2.806 -13.616
  468    HA   HIS  63           HA       HIS  63 -13.644  -2.966 -15.857
  469   1HB   HIS  63          2HB       HIS  63 -14.233  -0.556 -15.744
  470   2HB   HIS  63          1HB       HIS  63 -12.519  -0.160 -15.703
  471    HD1  HIS  63           HD1      HIS  63 -11.422   0.180 -17.913
  472    HD2  HIS  63           HD2      HIS  63 -15.009  -1.883 -18.264
  473    HE1  HIS  63           HE1      HIS  63 -11.826  -0.050 -20.379
  474    HE2  HIS  63           HE2      HIS  63 -14.074  -1.159 -20.561
  475    H    HIS  64           H        HIS  64 -11.345  -3.728 -14.101
  476    HA   HIS  64           HA       HIS  64  -8.949  -3.242 -15.610
  477   1HB   HIS  64          2HB       HIS  64  -9.526  -5.290 -13.453
  478   2HB   HIS  64          1HB       HIS  64  -7.937  -4.990 -14.150
  479    HD1  HIS  64           HD1      HIS  64  -7.998  -1.876 -14.111
  480    HD2  HIS  64           HD2      HIS  64  -9.108  -4.314 -10.932
  481    HE1  HIS  64           HE1      HIS  64  -7.760  -0.456 -12.059
  482    HE2  HIS  64           HE2      HIS  64  -8.258  -2.002 -10.140
  483    H    HIS  65           H        HIS  65 -11.591  -5.134 -16.287
  484    HA   HIS  65           HA       HIS  65 -10.403  -7.485 -17.335
  485   1HB   HIS  65          2HB       HIS  65 -12.794  -7.354 -16.798
  486   2HB   HIS  65          1HB       HIS  65 -13.027  -6.170 -18.080
  487    HD1  HIS  65           HD1      HIS  65 -13.013  -7.035 -20.508
  488    HD2  HIS  65           HD2      HIS  65 -12.538 -10.026 -17.665
  489    HE1  HIS  65           HE1      HIS  65 -13.358  -9.188 -21.741
  490    HE2  HIS  65           HE2      HIS  65 -12.899 -10.980 -20.042
  491    H    HIS  66           H        HIS  66  -8.965  -7.516 -18.939
  492    HA   HIS  66           HA       HIS  66  -8.925  -5.458 -20.988
  493   1HB   HIS  66          2HB       HIS  66  -7.121  -7.809 -20.398
  494   2HB   HIS  66          1HB       HIS  66  -6.885  -6.747 -21.782
  495    HD1  HIS  66           HD1      HIS  66  -6.772  -6.717 -18.004
  496    HD2  HIS  66           HD2      HIS  66  -5.669  -4.324 -21.217
  497    HE1  HIS  66           HE1      HIS  66  -5.369  -4.883 -17.027
  498    HE2  HIS  66           HE2      HIS  66  -4.833  -3.377 -18.965
  499    H    HIS  67           H        HIS  67  -8.571  -6.183 -23.326
  500    HA   HIS  67           HA       HIS  67 -10.129  -8.531 -24.093
  501   1HB   HIS  67          2HB       HIS  67 -11.852  -6.823 -23.738
  502   2HB   HIS  67          1HB       HIS  67 -11.009  -5.718 -24.813
  503    HD1  HIS  67           HD1      HIS  67 -11.100  -6.264 -27.380
  504    HD2  HIS  67           HD2      HIS  67 -13.456  -8.718 -24.990
  505    HE1  HIS  67           HE1      HIS  67 -12.682  -7.417 -28.949
  506    HE2  HIS  67           HE2      HIS  67 -13.999  -8.995 -27.504
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1 -14.948  20.788   0.909
    2   2H    MET   1          2H        MET   1 -14.428  21.024  -0.680
    3   3H    MET   1          3H        MET   1 -13.330  21.161   0.597
    4    HA   MET   1           HA       MET   1 -13.562  18.835   1.117
    5   1HB   MET   1          2HB       MET   1 -15.898  18.605   0.384
    6   2HB   MET   1          1HB       MET   1 -15.408  18.798  -1.291
    7   1HG   MET   1          2HG       MET   1 -14.450  16.550   0.464
    8   2HG   MET   1          1HG       MET   1 -15.881  16.445  -0.560
    9   1HE   MET   1          1HE       MET   1 -13.365  14.432  -0.668
   10   2HE   MET   1          2HE       MET   1 -13.163  14.236  -2.410
   11   3HE   MET   1          3HE       MET   1 -14.780  14.241  -1.705
   12    H    THR   2           H        THR   2 -11.681  17.905   0.554
   13    HA   THR   2           HA       THR   2 -10.757  18.129  -2.248
   14    HB   THR   2           HB       THR   2  -8.415  18.255  -1.460
   15    HG1  THR   2           HG1      THR   2  -7.936  18.475   0.684
   16   1HG2  THR   2          1HG2      THR   2 -10.158  20.459  -0.334
   17   2HG2  THR   2          2HG2      THR   2  -9.605  20.337  -2.004
   18   3HG2  THR   2          3HG2      THR   2  -8.436  20.585  -0.707
   19    H    ILE   3           H        ILE   3  -9.676  16.351  -3.100
   20    HA   ILE   3           HA       ILE   3 -10.123  13.799  -1.854
   21    HB   ILE   3           HB       ILE   3  -8.461  14.483  -4.298
   22   1HG1  ILE   3          2HG1      ILE   3 -11.339  13.547  -4.080
   23   2HG1  ILE   3          1HG1      ILE   3 -10.820  15.172  -4.514
   24   1HG2  ILE   3          1HG2      ILE   3  -9.580  11.821  -3.397
   25   2HG2  ILE   3          2HG2      ILE   3  -7.880  12.291  -3.368
   26   3HG2  ILE   3          3HG2      ILE   3  -8.721  12.119  -4.908
   27   1HD1  ILE   3          1HD1      ILE   3 -10.283  12.667  -6.100
   28   2HD1  ILE   3          2HD1      ILE   3  -9.769  14.298  -6.535
   29   3HD1  ILE   3          3HD1      ILE   3 -11.488  13.903  -6.472
   30    H    GLN   4           H        GLN   4  -7.572  16.106  -1.876
   31    HA   GLN   4           HA       GLN   4  -5.537  16.240  -0.906
   32   1HB   GLN   4          2HB       GLN   4  -6.449  13.780   0.607
   33   2HB   GLN   4          1HB       GLN   4  -5.003  14.705   0.993
   34   1HG   GLN   4          2HG       GLN   4  -6.376  16.662   1.491
   35   2HG   GLN   4          1HG       GLN   4  -7.829  15.757   1.070
   36   1HE2  GLN   4          1HE2      GLN   4  -6.891  13.293   2.323
   37   2HE2  GLN   4          2HE2      GLN   4  -7.009  13.545   4.024
   38    H    ALA   5           H        ALA   5  -5.569  12.727  -0.672
   39    HA   ALA   5           HA       ALA   5  -4.146  11.132  -1.468
   40   1HB   ALA   5          1HB       ALA   5  -4.183  10.894  -3.875
   41   2HB   ALA   5          2HB       ALA   5  -4.681  12.574  -4.059
   42   3HB   ALA   5          3HB       ALA   5  -5.766  11.414  -3.291
   43    HA   PRO   6           HA       PRO   6  -0.231  13.696  -1.538
   44   1HB   PRO   6          2HB       PRO   6   0.636  11.574   0.339
   45   2HB   PRO   6          1HB       PRO   6   0.742  13.330   0.500
   46   1HG   PRO   6          2HG       PRO   6  -1.007  11.899   1.947
   47   2HG   PRO   6          1HG       PRO   6  -1.406  13.521   1.344
   48   1HD   PRO   6          2HD       PRO   6  -2.231  10.837   0.269
   49   2HD   PRO   6          1HD       PRO   6  -3.196  12.320   0.461
   50    H    GLU   7           H        GLU   7  -0.270  12.765  -3.750
   51    HA   GLU   7           HA       GLU   7   0.437  11.481  -5.470
   52   1HB   GLU   7          2HB       GLU   7   2.624  12.208  -4.190
   53   2HB   GLU   7          1HB       GLU   7   2.744  10.490  -3.834
   54   1HG   GLU   7          2HG       GLU   7   2.585  11.703  -6.593
   55   2HG   GLU   7          1HG       GLU   7   4.047  11.140  -5.801
   56    H    THR   8           H        THR   8  -0.851   9.809  -5.939
   57    HA   THR   8           HA       THR   8  -1.071   7.580  -4.026
   58    HB   THR   8           HB       THR   8  -2.937   8.369  -6.282
   59    HG1  THR   8           HG1      THR   8  -2.836   9.767  -4.370
   60   1HG2  THR   8          1HG2      THR   8  -3.047   5.965  -5.851
   61   2HG2  THR   8          2HG2      THR   8  -4.509   6.760  -5.267
   62   3HG2  THR   8          3HG2      THR   8  -3.258   6.265  -4.124
   63    H    LYS   9           H        LYS   9  -0.197   5.663  -4.465
   64    HA   LYS   9           HA       LYS   9   0.218   4.901  -7.295
   65   1HB   LYS   9          2HB       LYS   9   2.048   4.607  -4.932
   66   2HB   LYS   9          1HB       LYS   9   2.122   3.429  -6.235
   67   1HG   LYS   9          2HG       LYS   9   2.582   5.222  -7.838
   68   2HG   LYS   9          1HG       LYS   9   2.514   6.405  -6.529
   69   1HD   LYS   9          2HD       LYS   9   4.456   5.491  -5.490
   70   2HD   LYS   9          1HD       LYS   9   4.439   4.077  -6.549
   71   1HE   LYS   9          2HE       LYS   9   6.163   5.762  -7.159
   72   2HE   LYS   9          1HE       LYS   9   5.016   5.428  -8.455
   73   1HZ   LYS   9          1HZ       LYS   9   3.853   7.455  -7.936
   74   2HZ   LYS   9          2HZ       LYS   9   5.486   7.804  -8.188
   75   3HZ   LYS   9          3HZ       LYS   9   4.865   7.759  -6.619
   76    H    ILE  10           H        ILE  10  -1.297   3.433  -7.751
   77    HA   ILE  10           HA       ILE  10  -2.238   1.539  -5.766
   78    HB   ILE  10           HB       ILE  10  -2.912   1.533  -8.718
   79   1HG1  ILE  10          2HG1      ILE  10  -4.272   3.119  -6.515
   80   2HG1  ILE  10          1HG1      ILE  10  -3.286   3.801  -7.805
   81   1HG2  ILE  10          1HG2      ILE  10  -3.622  -0.436  -7.459
   82   2HG2  ILE  10          2HG2      ILE  10  -5.018   0.519  -7.947
   83   3HG2  ILE  10          3HG2      ILE  10  -4.439   0.589  -6.281
   84   1HD1  ILE  10          1HD1      ILE  10  -5.885   2.326  -8.167
   85   2HD1  ILE  10          2HD1      ILE  10  -4.903   3.024  -9.453
   86   3HD1  ILE  10          3HD1      ILE  10  -5.656   4.073  -8.254
   87    H    VAL  11           H        VAL  11  -0.242   0.435  -5.344
   88    HA   VAL  11           HA       VAL  11   1.120  -0.898  -7.573
   89    HB   VAL  11           HB       VAL  11   1.986  -0.986  -4.689
   90   1HG1  VAL  11          1HG1      VAL  11   3.544  -1.173  -7.269
   91   2HG1  VAL  11          2HG1      VAL  11   3.111  -2.519  -6.217
   92   3HG1  VAL  11          3HG1      VAL  11   4.219  -1.277  -5.641
   93   1HG2  VAL  11          1HG2      VAL  11   1.659   1.368  -5.232
   94   2HG2  VAL  11          2HG2      VAL  11   2.637   1.184  -6.689
   95   3HG2  VAL  11          3HG2      VAL  11   3.379   0.996  -5.099
   96    H    ASP  12           H        ASP  12   1.586  -3.141  -7.567
   97    HA   ASP  12           HA       ASP  12  -0.639  -4.716  -6.636
   98   1HB   ASP  12          2HB       ASP  12   1.816  -5.509  -8.223
   99   2HB   ASP  12          1HB       ASP  12   0.424  -6.544  -7.927
  100    H    LYS  13           H        LYS  13   2.575  -4.078  -5.550
  101    HA   LYS  13           HA       LYS  13   2.404  -6.294  -3.626
  102   1HB   LYS  13          2HB       LYS  13   4.836  -5.989  -3.265
  103   2HB   LYS  13          1HB       LYS  13   4.437  -6.410  -4.923
  104   1HG   LYS  13          2HG       LYS  13   4.782  -4.145  -5.647
  105   2HG   LYS  13          1HG       LYS  13   4.984  -3.594  -3.984
  106   1HD   LYS  13          2HD       LYS  13   7.144  -3.814  -5.139
  107   2HD   LYS  13          1HD       LYS  13   7.024  -4.917  -3.768
  108   1HE   LYS  13          2HE       LYS  13   8.033  -6.042  -5.670
  109   2HE   LYS  13          1HE       LYS  13   6.458  -6.750  -5.317
  110   1HZ   LYS  13          1HZ       LYS  13   5.515  -5.502  -7.134
  111   2HZ   LYS  13          2HZ       LYS  13   6.829  -6.403  -7.698
  112   3HZ   LYS  13          3HZ       LYS  13   6.992  -4.744  -7.440
  113    H    SER  14           H        SER  14   2.803  -5.920  -1.408
  114    HA   SER  14           HA       SER  14   1.793  -3.369  -0.484
  115   1HB   SER  14          2HB       SER  14   1.851  -4.443   1.760
  116   2HB   SER  14          1HB       SER  14   0.969  -5.388   0.576
  117    HG   SER  14           HG       SER  14   2.266  -6.950   1.130
  118    H    ARG  15           H        ARG  15   4.819  -5.184  -0.112
  119    HA   ARG  15           HA       ARG  15   5.951  -3.239   1.683
  120   1HB   ARG  15          2HB       ARG  15   7.233  -5.600   0.289
  121   2HB   ARG  15          1HB       ARG  15   7.973  -4.650   1.575
  122   1HG   ARG  15          2HG       ARG  15   6.261  -5.344   3.134
  123   2HG   ARG  15          1HG       ARG  15   5.400  -6.194   1.851
  124   1HD   ARG  15          2HD       ARG  15   7.333  -7.699   1.578
  125   2HD   ARG  15          1HD       ARG  15   8.159  -6.859   2.892
  126    HE   ARG  15           HE       ARG  15   5.592  -8.240   3.308
  127   1HH1  ARG  15          1HH1      ARG  15   8.877  -7.677   4.186
  128   2HH1  ARG  15          2HH1      ARG  15   8.776  -8.679   5.592
  129   1HH2  ARG  15          1HH2      ARG  15   5.479  -9.515   5.101
  130   2HH2  ARG  15          2HH2      ARG  15   6.874  -9.712   6.110
  131    H    VAL  16           H        VAL  16   5.995  -1.308   0.605
  132    HA   VAL  16           HA       VAL  16   7.765  -1.112  -1.758
  133    HB   VAL  16           HB       VAL  16   5.668   0.871  -0.836
  134   1HG1  VAL  16          1HG1      VAL  16   6.031   1.948  -3.007
  135   2HG1  VAL  16          2HG1      VAL  16   7.293   0.776  -3.384
  136   3HG1  VAL  16          3HG1      VAL  16   7.517   1.914  -2.056
  137   1HG2  VAL  16          1HG2      VAL  16   4.366   0.108  -2.788
  138   2HG2  VAL  16          2HG2      VAL  16   4.611  -1.178  -1.609
  139   3HG2  VAL  16          3HG2      VAL  16   5.572  -1.146  -3.086
  140    H    ALA  17           H        ALA  17   9.723  -0.274  -1.404
  141    HA   ALA  17           HA       ALA  17  10.240   1.285   1.025
  142   1HB   ALA  17          1HB       ALA  17  12.595   0.871   0.578
  143   2HB   ALA  17          2HB       ALA  17  12.186   0.118  -0.966
  144   3HB   ALA  17          3HB       ALA  17  11.685  -0.642   0.546
  145    H    CYS  18           H        CYS  18  11.541   3.230   0.940
  146    HA   CYS  18           HA       CYS  18  11.808   4.579  -1.638
  147   1HB   CYS  18          2HB       CYS  18   9.558   5.222  -0.917
  148   2HB   CYS  18          1HB       CYS  18  10.188   5.753   0.640
  149    HG   CYS  18           HG       CYS  18  10.325   8.187  -0.148
  150    H    ASP  19           H        ASP  19  13.505   5.980  -1.710
  151    HA   ASP  19           HA       ASP  19  15.082   6.346   0.730
  152   1HB   ASP  19          2HB       ASP  19  16.794   7.311  -0.886
  153   2HB   ASP  19          1HB       ASP  19  16.413   5.604  -1.085
  154    H    GLY  20           H        GLY  20  14.031   8.498  -1.966
  155   1HA   GLY  20          2HA       GLY  20  12.639  10.355  -0.537
  156   2HA   GLY  20          1HA       GLY  20  14.309  10.840  -0.301
  157    H    GLY  21           H        GLY  21  14.163  12.766  -1.425
  158   1HA   GLY  21          2HA       GLY  21  13.820  12.520  -4.356
  159   2HA   GLY  21          1HA       GLY  21  13.027  13.809  -3.464
  160    H    GLU  22           H        GLU  22  14.237  15.555  -2.701
  161    HA   GLU  22           HA       GLU  22  16.624  16.188  -4.132
  162   1HB   GLU  22          2HB       GLU  22  15.437  17.582  -1.714
  163   2HB   GLU  22          1HB       GLU  22  16.609  18.259  -2.834
  164   1HG   GLU  22          2HG       GLU  22  13.795  17.442  -3.551
  165   2HG   GLU  22          1HG       GLU  22  14.323  19.088  -3.213
  166    H    GLY  23           H        GLY  23  18.727  16.678  -3.195
  167   1HA   GLY  23          2HA       GLY  23  19.976  14.739  -1.749
  168   2HA   GLY  23          1HA       GLY  23  20.529  16.402  -1.782
  169    H    ALA  24           H        ALA  24  18.590  17.705  -0.332
  170    HA   ALA  24           HA       ALA  24  19.224  16.978   2.367
  171   1HB   ALA  24          1HB       ALA  24  17.881  18.921   2.990
  172   2HB   ALA  24          2HB       ALA  24  17.270  19.037   1.339
  173   3HB   ALA  24          3HB       ALA  24  18.981  19.309   1.665
  174    H    LEU  25           H        LEU  25  16.586  16.240   0.247
  175    HA   LEU  25           HA       LEU  25  14.793  15.484   2.438
  176   1HB   LEU  25          2HB       LEU  25  14.358  15.450  -0.553
  177   2HB   LEU  25          1HB       LEU  25  13.137  15.086   0.653
  178    HG   LEU  25           HG       LEU  25  14.484  17.761   0.227
  179   1HD1  LEU  25          1HD1      LEU  25  11.632  16.894  -0.258
  180   2HD1  LEU  25          2HD1      LEU  25  12.846  17.197  -1.501
  181   3HD1  LEU  25          3HD1      LEU  25  12.282  18.520  -0.481
  182   1HD2  LEU  25          1HD2      LEU  25  12.365  16.959   2.227
  183   2HD2  LEU  25          2HD2      LEU  25  12.902  18.610   1.909
  184   3HD2  LEU  25          3HD2      LEU  25  14.025  17.435   2.591
  185    H    GLY  26           H        GLY  26  17.339  13.997   1.471
  186   1HA   GLY  26          2HA       GLY  26  16.366  11.434   0.587
  187   2HA   GLY  26          1HA       GLY  26  18.006  11.818   1.084
  188    H    HIS  27           H        HIS  27  15.066  10.349   1.987
  189    HA   HIS  27           HA       HIS  27  15.553  10.278   4.835
  190   1HB   HIS  27          2HB       HIS  27  13.646   8.590   3.177
  191   2HB   HIS  27          1HB       HIS  27  13.618   8.780   4.929
  192    HD1  HIS  27           HD1      HIS  27  11.522   9.715   2.444
  193    HD2  HIS  27           HD2      HIS  27  13.662  12.003   5.180
  194    HE1  HIS  27           HE1      HIS  27  10.321  11.917   2.572
  195    HE2  HIS  27           HE2      HIS  27  11.716  13.324   4.114
  196    HA   PRO  28           HA       PRO  28  18.344   6.833   4.902
  197   1HB   PRO  28          2HB       PRO  28  17.260   5.998   7.506
  198   2HB   PRO  28          1HB       PRO  28  18.838   6.687   7.120
  199   1HG   PRO  28          2HG       PRO  28  16.972   8.076   8.483
  200   2HG   PRO  28          1HG       PRO  28  18.096   8.864   7.357
  201   1HD   PRO  28          2HD       PRO  28  15.229   8.066   6.919
  202   2HD   PRO  28          1HD       PRO  28  16.055   9.580   6.481
  203    H    ARG  29           H        ARG  29  16.081   6.078   3.381
  204    HA   ARG  29           HA       ARG  29  15.144   4.325   2.459
  205   1HB   ARG  29          2HB       ARG  29  17.495   3.409   2.943
  206   2HB   ARG  29          1HB       ARG  29  16.721   2.527   4.253
  207   1HG   ARG  29          2HG       ARG  29  16.789   1.100   2.354
  208   2HG   ARG  29          1HG       ARG  29  15.116   1.597   2.579
  209   1HD   ARG  29          2HD       ARG  29  15.548   1.815   0.264
  210   2HD   ARG  29          1HD       ARG  29  15.572   3.442   0.907
  211    HE   ARG  29           HE       ARG  29  18.111   3.033   0.976
  212   1HH1  ARG  29          1HH1      ARG  29  15.991   1.801  -1.456
  213   2HH1  ARG  29          2HH1      ARG  29  17.221   1.795  -2.671
  214   1HH2  ARG  29          1HH2      ARG  29  19.666   3.015  -0.590
  215   2HH2  ARG  29          2HH2      ARG  29  19.292   2.446  -2.179
  216    H    VAL  30           H        VAL  30  13.170   4.724   3.182
  217    HA   VAL  30           HA       VAL  30  12.222   3.381   5.624
  218    HB   VAL  30           HB       VAL  30  10.104   4.648   5.284
  219   1HG1  VAL  30          1HG1      VAL  30  12.625   6.317   5.351
  220   2HG1  VAL  30          2HG1      VAL  30  11.842   5.546   6.730
  221   3HG1  VAL  30          3HG1      VAL  30  11.027   6.855   5.875
  222   1HG2  VAL  30          1HG2      VAL  30  10.040   6.478   3.644
  223   2HG2  VAL  30          2HG2      VAL  30  10.193   4.912   2.850
  224   3HG2  VAL  30          3HG2      VAL  30  11.601   5.962   3.003
  225    H    TRP  31           H        TRP  31  11.203   1.489   5.538
  226    HA   TRP  31           HA       TRP  31  10.142   0.526   2.961
  227   1HB   TRP  31          2HB       TRP  31  11.036  -0.952   5.445
  228   2HB   TRP  31          1HB       TRP  31  10.203  -1.738   4.109
  229    HD1  TRP  31           HD1      TRP  31  13.468   0.315   4.667
  230    HE1  TRP  31           HE1      TRP  31  15.249  -0.587   3.035
  231    HE3  TRP  31           HE3      TRP  31  10.622  -3.129   2.172
  232    HZ2  TRP  31           HZ2      TRP  31  15.424  -2.502   0.975
  233    HZ3  TRP  31           HZ3      TRP  31  11.678  -4.457   0.387
  234    HH2  TRP  31           HH2      TRP  31  14.026  -4.149  -0.197
  235    H    LEU  32           H        LEU  32   8.003   0.766   2.698
  236    HA   LEU  32           HA       LEU  32   6.271   0.876   5.070
  237   1HB   LEU  32          2HB       LEU  32   5.766   1.730   2.214
  238   2HB   LEU  32          1HB       LEU  32   4.565   1.795   3.488
  239    HG   LEU  32           HG       LEU  32   6.169   3.348   4.735
  240   1HD1  LEU  32          1HD1      LEU  32   7.792   4.566   3.379
  241   2HD1  LEU  32          2HD1      LEU  32   7.445   3.517   2.006
  242   3HD1  LEU  32          3HD1      LEU  32   8.191   2.851   3.459
  243   1HD2  LEU  32          1HD2      LEU  32   5.447   5.311   3.433
  244   2HD2  LEU  32          2HD2      LEU  32   4.141   4.154   3.691
  245   3HD2  LEU  32          3HD2      LEU  32   4.947   4.237   2.124
  246    H    GLN  33           H        GLN  33   4.945  -0.701   5.582
  247    HA   GLN  33           HA       GLN  33   4.329  -2.860   3.654
  248   1HB   GLN  33          2HB       GLN  33   5.334  -3.672   5.682
  249   2HB   GLN  33          1HB       GLN  33   4.270  -2.698   6.682
  250   1HG   GLN  33          2HG       GLN  33   3.556  -4.953   6.842
  251   2HG   GLN  33          1HG       GLN  33   2.358  -4.090   5.888
  252   1HE2  GLN  33          1HE2      GLN  33   2.079  -4.630   3.753
  253   2HE2  GLN  33          2HE2      GLN  33   2.817  -6.011   3.026
  254    H    ILE  34           H        ILE  34   2.513  -2.391   2.564
  255    HA   ILE  34           HA       ILE  34   0.321  -0.900   3.582
  256    HB   ILE  34           HB       ILE  34   0.390  -2.853   1.272
  257   1HG1  ILE  34          2HG1      ILE  34   0.569   0.172   1.267
  258   2HG1  ILE  34          1HG1      ILE  34   1.934  -0.913   1.037
  259   1HG2  ILE  34          1HG2      ILE  34  -1.651  -1.667   0.499
  260   2HG2  ILE  34          2HG2      ILE  34  -1.693  -0.807   2.036
  261   3HG2  ILE  34          3HG2      ILE  34  -1.887  -2.561   1.999
  262   1HD1  ILE  34          1HD1      ILE  34  -0.460  -0.646  -0.771
  263   2HD1  ILE  34          2HD1      ILE  34   0.875  -1.777  -1.000
  264   3HD1  ILE  34          3HD1      ILE  34   1.168  -0.041  -1.080
  265    HA   PRO  35           HA       PRO  35  -1.438  -4.311   5.958
  266   1HB   PRO  35          2HB       PRO  35  -3.433  -2.931   7.142
  267   2HB   PRO  35          1HB       PRO  35  -1.747  -2.752   7.641
  268   1HG   PRO  35          2HG       PRO  35  -3.403  -0.982   5.889
  269   2HG   PRO  35          1HG       PRO  35  -2.250  -0.535   7.158
  270   1HD   PRO  35          2HD       PRO  35  -1.664  -0.506   4.470
  271   2HD   PRO  35          1HD       PRO  35  -0.450  -0.713   5.741
  272    H    GLU  36           H        GLU  36  -2.300  -5.673   4.458
  273    HA   GLU  36           HA       GLU  36  -4.209  -5.262   2.531
  274   1HB   GLU  36          2HB       GLU  36  -4.628  -7.665   2.573
  275   2HB   GLU  36          1HB       GLU  36  -2.912  -7.334   2.753
  276   1HG   GLU  36          2HG       GLU  36  -4.812  -8.079   4.978
  277   2HG   GLU  36          1HG       GLU  36  -3.649  -9.152   4.209
  278    H    ASP  37           H        ASP  37  -4.721  -5.609   5.955
  279    HA   ASP  37           HA       ASP  37  -7.404  -6.161   6.187
  280   1HB   ASP  37          2HB       ASP  37  -5.880  -5.888   8.088
  281   2HB   ASP  37          1HB       ASP  37  -5.785  -4.158   7.782
  282    H    THR  38           H        THR  38  -5.950  -2.956   5.561
  283    HA   THR  38           HA       THR  38  -8.647  -1.873   5.051
  284    HB   THR  38           HB       THR  38  -7.279  -0.639   6.724
  285    HG1  THR  38           HG1      THR  38  -7.812   1.375   5.902
  286   1HG2  THR  38          1HG2      THR  38  -5.386   0.702   6.038
  287   2HG2  THR  38          2HG2      THR  38  -5.538   0.120   4.383
  288   3HG2  THR  38          3HG2      THR  38  -5.063  -0.993   5.666
  289    H    GLY  39           H        GLY  39  -5.468  -2.308   3.548
  290   1HA   GLY  39          2HA       GLY  39  -5.382  -2.854   1.210
  291   2HA   GLY  39          1HA       GLY  39  -6.784  -1.837   0.949
  292    H    TRP  40           H        TRP  40  -4.609  -0.182   2.929
  293    HA   TRP  40           HA       TRP  40  -3.005   0.950   0.806
  294   1HB   TRP  40          2HB       TRP  40  -3.933   3.240   1.025
  295   2HB   TRP  40          1HB       TRP  40  -5.113   2.102   0.381
  296    HD1  TRP  40           HD1      TRP  40  -7.141   1.369   2.063
  297    HE1  TRP  40           HE1      TRP  40  -8.198   2.611   4.044
  298    HE3  TRP  40           HE3      TRP  40  -3.440   4.787   2.951
  299    HZ2  TRP  40           HZ2      TRP  40  -7.552   4.745   5.773
  300    HZ3  TRP  40           HZ3      TRP  40  -3.739   6.390   4.794
  301    HH2  TRP  40           HH2      TRP  40  -5.751   6.369   6.176
  302    H    VAL  41           H        VAL  41  -1.537   2.689   1.568
  303    HA   VAL  41           HA       VAL  41  -1.417   3.164   4.447
  304    HB   VAL  41           HB       VAL  41   0.002   1.090   3.918
  305   1HG1  VAL  41          1HG1      VAL  41   2.210   1.453   2.959
  306   2HG1  VAL  41          2HG1      VAL  41   1.824   3.149   2.671
  307   3HG1  VAL  41          3HG1      VAL  41   0.947   1.888   1.806
  308   1HG2  VAL  41          1HG2      VAL  41   1.387   3.458   5.189
  309   2HG2  VAL  41          2HG2      VAL  41   1.813   1.761   5.417
  310   3HG2  VAL  41          3HG2      VAL  41   0.258   2.366   5.991
  311    H    GLU  42           H        GLU  42   0.254   4.901   4.938
  312    HA   GLU  42           HA       GLU  42   1.120   6.420   2.598
  313   1HB   GLU  42          2HB       GLU  42   0.327   8.561   3.721
  314   2HB   GLU  42          1HB       GLU  42  -0.905   7.539   2.996
  315   1HG   GLU  42          2HG       GLU  42  -1.360   6.603   5.273
  316   2HG   GLU  42          1HG       GLU  42  -0.263   7.823   5.923
  317    H    CYS  43           H        CYS  43   2.794   7.928   2.987
  318    HA   CYS  43           HA       CYS  43   4.787   6.797   4.669
  319   1HB   CYS  43          2HB       CYS  43   6.225   8.576   3.775
  320   2HB   CYS  43          1HB       CYS  43   5.297   7.798   2.493
  321    HG   CYS  43           HG       CYS  43   3.740  10.456   3.762
  322    HA   PRO  44           HA       PRO  44   4.280   9.232   8.386
  323   1HB   PRO  44          2HB       PRO  44   7.158   8.758   8.870
  324   2HB   PRO  44          1HB       PRO  44   5.760   8.244   9.819
  325   1HG   PRO  44          2HG       PRO  44   7.201   6.487   8.389
  326   2HG   PRO  44          1HG       PRO  44   5.444   6.322   8.568
  327   1HD   PRO  44          2HD       PRO  44   7.015   7.411   6.251
  328   2HD   PRO  44          1HD       PRO  44   5.617   6.312   6.246
  329    H    TYR  45           H        TYR  45   6.877   9.917   6.094
  330    HA   TYR  45           HA       TYR  45   7.347  12.549   7.288
  331   1HB   TYR  45          2HB       TYR  45   8.764  11.109   5.035
  332   2HB   TYR  45          1HB       TYR  45   9.198  12.713   5.618
  333    HD1  TYR  45           HD2      TYR  45   9.787  12.901   8.143
  334    HD2  TYR  45           HD1      TYR  45   9.771   9.220   5.994
  335    HE1  TYR  45           HE2      TYR  45  11.254  11.905   9.843
  336    HE2  TYR  45           HE1      TYR  45  11.244   8.222   7.690
  337    HH   TYR  45           HH       TYR  45  11.835   9.675  10.700
  338    H    CYS  46           H        CYS  46   7.409  11.773   3.816
  339    HA   CYS  46           HA       CYS  46   5.073  13.290   3.140
  340   1HB   CYS  46          2HB       CYS  46   6.619  15.131   3.815
  341   2HB   CYS  46          1HB       CYS  46   7.740  14.612   2.568
  342    HG   CYS  46           HG       CYS  46   5.780  15.078   0.500
  343    H    ASP  47           H        ASP  47   6.709  10.805   2.486
  344    HA   ASP  47           HA       ASP  47   7.782  11.040  -0.118
  345   1HB   ASP  47          2HB       ASP  47   6.826   8.525   1.265
  346   2HB   ASP  47          1HB       ASP  47   8.039   8.644  -0.008
  347    H    CYS  48           H        CYS  48   5.053   8.839   0.652
  348    HA   CYS  48           HA       CYS  48   3.331   9.973  -1.356
  349   1HB   CYS  48          2HB       CYS  48   4.638   7.303  -1.934
  350   2HB   CYS  48          1HB       CYS  48   3.279   7.963  -2.832
  351    HG   CYS  48           HG       CYS  48   4.726   9.162  -4.565
  352    H    LYS  49           H        LYS  49   1.384   8.569  -1.775
  353    HA   LYS  49           HA       LYS  49   0.598   7.000   0.610
  354   1HB   LYS  49          2HB       LYS  49  -0.719   9.075   0.075
  355   2HB   LYS  49          1HB       LYS  49  -1.173   8.345  -1.456
  356   1HG   LYS  49          2HG       LYS  49  -2.210   6.464  -0.104
  357   2HG   LYS  49          1HG       LYS  49  -1.965   7.483   1.319
  358   1HD   LYS  49          2HD       LYS  49  -3.264   9.285   0.130
  359   2HD   LYS  49          1HD       LYS  49  -3.641   8.101  -1.122
  360   1HE   LYS  49          2HE       LYS  49  -5.511   8.044   0.264
  361   2HE   LYS  49          1HE       LYS  49  -4.561   6.662   0.812
  362   1HZ   LYS  49          1HZ       LYS  49  -5.393   7.920   2.680
  363   2HZ   LYS  49          2HZ       LYS  49  -4.674   9.339   2.105
  364   3HZ   LYS  49          3HZ       LYS  49  -3.707   8.054   2.629
  365    H    TYR  50           H        TYR  50   0.329   4.794   0.286
  366    HA   TYR  50           HA       TYR  50   0.508   3.888  -2.519
  367   1HB   TYR  50          2HB       TYR  50   1.532   2.547  -0.004
  368   2HB   TYR  50          1HB       TYR  50   1.619   1.853  -1.620
  369    HD1  TYR  50           HD1      TYR  50   2.935   3.153  -3.402
  370    HD2  TYR  50           HD2      TYR  50   3.237   3.970   0.768
  371    HE1  TYR  50           HE1      TYR  50   5.074   4.298  -3.786
  372    HE2  TYR  50           HE2      TYR  50   5.377   5.122   0.390
  373    HH   TYR  50           HH       TYR  50   7.192   5.147  -1.276
  374    H    VAL  51           H        VAL  51  -1.307   3.080  -3.281
  375    HA   VAL  51           HA       VAL  51  -3.203   1.691  -1.510
  376    HB   VAL  51           HB       VAL  51  -3.494   2.525  -4.411
  377   1HG1  VAL  51          1HG1      VAL  51  -4.871   0.569  -3.893
  378   2HG1  VAL  51          2HG1      VAL  51  -5.870   1.998  -4.151
  379   3HG1  VAL  51          3HG1      VAL  51  -5.570   1.417  -2.513
  380   1HG2  VAL  51          1HG2      VAL  51  -5.024   4.247  -3.531
  381   2HG2  VAL  51          2HG2      VAL  51  -3.379   4.445  -2.923
  382   3HG2  VAL  51          3HG2      VAL  51  -4.625   3.746  -1.887
  383    H    LEU  52           H        LEU  52  -3.660  -0.484  -1.676
  384    HA   LEU  52           HA       LEU  52  -1.771  -2.106  -3.153
  385   1HB   LEU  52          2HB       LEU  52  -2.396  -2.618  -0.814
  386   2HB   LEU  52          1HB       LEU  52  -4.029  -2.969  -1.344
  387    HG   LEU  52           HG       LEU  52  -3.188  -4.856  -2.694
  388   1HD1  LEU  52          1HD1      LEU  52  -0.492  -4.183  -1.500
  389   2HD1  LEU  52          2HD1      LEU  52  -0.949  -4.013  -3.196
  390   3HD1  LEU  52          3HD1      LEU  52  -0.870  -5.614  -2.460
  391   1HD2  LEU  52          1HD2      LEU  52  -3.925  -5.263  -0.398
  392   2HD2  LEU  52          2HD2      LEU  52  -2.295  -4.941   0.194
  393   3HD2  LEU  52          3HD2      LEU  52  -2.600  -6.341  -0.835
  394    H    LYS  53           H        LYS  53  -2.166  -2.304  -5.246
  395    HA   LYS  53           HA       LYS  53  -4.654  -2.322  -6.530
  396   1HB   LYS  53          2HB       LYS  53  -2.524  -1.806  -7.640
  397   2HB   LYS  53          1HB       LYS  53  -2.016  -3.477  -7.460
  398   1HG   LYS  53          2HG       LYS  53  -3.559  -4.241  -9.047
  399   2HG   LYS  53          1HG       LYS  53  -4.505  -2.752  -8.973
  400   1HD   LYS  53          2HD       LYS  53  -2.810  -1.516 -10.109
  401   2HD   LYS  53          1HD       LYS  53  -1.651  -2.836  -9.950
  402   1HE   LYS  53          2HE       LYS  53  -4.198  -2.951 -11.567
  403   2HE   LYS  53          1HE       LYS  53  -2.591  -2.650 -12.228
  404   1HZ   LYS  53          1HZ       LYS  53  -3.040  -4.937 -12.515
  405   2HZ   LYS  53          2HZ       LYS  53  -3.576  -5.124 -10.923
  406   3HZ   LYS  53          3HZ       LYS  53  -1.937  -4.842 -11.231
  407    H    GLY  54           H        GLY  54  -6.140  -3.849  -6.869
  408   1HA   GLY  54          2HA       GLY  54  -6.976  -6.033  -7.205
  409   2HA   GLY  54          1HA       GLY  54  -5.470  -6.691  -6.588
  410    H    SER  55           H        SER  55  -6.178  -4.428  -4.380
  411    HA   SER  55           HA       SER  55  -7.515  -6.355  -2.611
  412   1HB   SER  55          2HB       SER  55  -5.469  -5.330  -1.756
  413   2HB   SER  55          1HB       SER  55  -6.142  -3.719  -1.996
  414    HG   SER  55           HG       SER  55  -6.564  -5.534   0.036
  415    H    LYS  56           H        LYS  56  -8.850  -4.950  -0.807
  416    HA   LYS  56           HA       LYS  56 -11.272  -4.226  -2.058
  417   1HB   LYS  56          2HB       LYS  56 -12.026  -3.550   0.162
  418   2HB   LYS  56          1HB       LYS  56 -11.144  -5.069   0.250
  419   1HG   LYS  56          2HG       LYS  56  -9.144  -3.829   1.016
  420   2HG   LYS  56          1HG       LYS  56 -10.091  -2.339   1.002
  421   1HD   LYS  56          2HD       LYS  56 -10.635  -4.789   2.697
  422   2HD   LYS  56          1HD       LYS  56  -9.956  -3.264   3.262
  423   1HE   LYS  56          2HE       LYS  56 -12.702  -3.612   2.058
  424   2HE   LYS  56          1HE       LYS  56 -12.356  -3.495   3.782
  425   1HZ   LYS  56          1HZ       LYS  56 -13.097  -1.397   2.657
  426   2HZ   LYS  56          2HZ       LYS  56 -11.606  -1.369   1.861
  427   3HZ   LYS  56          3HZ       LYS  56 -11.665  -1.275   3.549
  428    H    ALA  57           H        ALA  57  -8.439  -2.380  -1.399
  429    HA   ALA  57           HA       ALA  57  -9.717   0.208  -1.582
  430   1HB   ALA  57          1HB       ALA  57  -6.786  -0.508  -1.665
  431   2HB   ALA  57          2HB       ALA  57  -7.707  -0.090  -0.220
  432   3HB   ALA  57          3HB       ALA  57  -7.453   1.115  -1.484
  433    H    ASP  58           H        ASP  58  -8.772  -2.123  -3.858
  434    HA   ASP  58           HA       ASP  58  -8.008  -0.371  -5.992
  435   1HB   ASP  58          2HB       ASP  58  -7.429  -2.841  -5.791
  436   2HB   ASP  58          1HB       ASP  58  -9.086  -3.189  -6.259
  437    H    ALA  59           H        ALA  59  -9.790   1.152  -5.663
  438    HA   ALA  59           HA       ALA  59 -12.116   0.442  -7.319
  439   1HB   ALA  59          1HB       ALA  59 -13.640   1.544  -5.745
  440   2HB   ALA  59          2HB       ALA  59 -12.295   1.824  -4.638
  441   3HB   ALA  59          3HB       ALA  59 -12.817   0.177  -4.993
  442    H    LEU  60           H        LEU  60  -9.554   2.265  -7.295
  443    HA   LEU  60           HA       LEU  60 -10.637   4.907  -7.662
  444   1HB   LEU  60          2HB       LEU  60  -7.904   3.790  -8.333
  445   2HB   LEU  60          1HB       LEU  60  -8.350   5.478  -8.491
  446    HG   LEU  60           HG       LEU  60  -7.117   5.286  -6.471
  447   1HD1  LEU  60          1HD1      LEU  60  -9.070   6.732  -6.306
  448   2HD1  LEU  60          2HD1      LEU  60  -8.718   5.968  -4.757
  449   3HD1  LEU  60          3HD1      LEU  60 -10.046   5.371  -5.751
  450   1HD2  LEU  60          1HD2      LEU  60  -7.253   2.876  -6.154
  451   2HD2  LEU  60          2HD2      LEU  60  -8.947   3.017  -5.680
  452   3HD2  LEU  60          3HD2      LEU  60  -7.685   3.724  -4.669
  453    H    GLU  61           H        GLU  61 -12.289   4.068  -9.186
  454    HA   GLU  61           HA       GLU  61 -11.364   4.409 -11.942
  455   1HB   GLU  61          2HB       GLU  61 -12.869   2.511 -12.667
  456   2HB   GLU  61          1HB       GLU  61 -11.427   2.026 -11.786
  457   1HG   GLU  61          2HG       GLU  61 -12.704   1.650  -9.782
  458   2HG   GLU  61          1HG       GLU  61 -14.155   2.311 -10.533
  459    H    HIS  62           H        HIS  62 -12.331   6.488 -11.795
  460    HA   HIS  62           HA       HIS  62 -15.146   6.760 -11.245
  461   1HB   HIS  62          2HB       HIS  62 -14.871   9.106 -11.775
  462   2HB   HIS  62          1HB       HIS  62 -13.517   8.589 -10.781
  463    HD1  HIS  62           HD1      HIS  62 -11.171   8.644 -11.854
  464    HD2  HIS  62           HD2      HIS  62 -14.212   9.810 -14.432
  465    HE1  HIS  62           HE1      HIS  62 -10.021   9.672 -13.827
  466    HE2  HIS  62           HE2      HIS  62 -11.867  10.175 -15.453
  467    H    HIS  63           H        HIS  63 -13.322   5.826 -13.923
  468    HA   HIS  63           HA       HIS  63 -15.593   5.337 -15.513
  469   1HB   HIS  63          2HB       HIS  63 -15.157   7.888 -15.821
  470   2HB   HIS  63          1HB       HIS  63 -13.790   7.381 -16.808
  471    HD1  HIS  63           HD1      HIS  63 -14.537   5.687 -18.876
  472    HD2  HIS  63           HD2      HIS  63 -17.486   8.075 -17.177
  473    HE1  HIS  63           HE1      HIS  63 -16.402   5.750 -20.549
  474    HE2  HIS  63           HE2      HIS  63 -18.098   7.323 -19.574
  475    H    HIS  64           H        HIS  64 -12.093   5.965 -15.655
  476    HA   HIS  64           HA       HIS  64 -11.733   3.519 -17.273
  477   1HB   HIS  64          2HB       HIS  64  -9.857   5.852 -16.786
  478   2HB   HIS  64          1HB       HIS  64  -9.431   4.409 -17.694
  479    HD1  HIS  64           HD1      HIS  64  -9.802   4.542 -20.134
  480    HD2  HIS  64           HD2      HIS  64 -12.118   7.303 -18.062
  481    HE1  HIS  64           HE1      HIS  64 -10.915   5.943 -21.893
  482    HE2  HIS  64           HE2      HIS  64 -12.454   7.474 -20.620
  483    H    HIS  65           H        HIS  65 -11.010   1.732 -16.269
  484    HA   HIS  65           HA       HIS  65  -9.658   1.965 -13.661
  485   1HB   HIS  65          2HB       HIS  65 -11.646   0.415 -13.998
  486   2HB   HIS  65          1HB       HIS  65 -10.614  -0.565 -15.031
  487    HD1  HIS  65           HD1      HIS  65 -11.918  -1.605 -12.395
  488    HD2  HIS  65           HD2      HIS  65  -8.020  -0.194 -12.693
  489    HE1  HIS  65           HE1      HIS  65 -10.674  -2.663 -10.500
  490    HE2  HIS  65           HE2      HIS  65  -8.373  -1.677 -10.595
  491    H    HIS  66           H        HIS  66  -7.472   2.004 -13.694
  492    HA   HIS  66           HA       HIS  66  -5.985   0.180 -15.406
  493   1HB   HIS  66          2HB       HIS  66  -4.686   1.901 -16.534
  494   2HB   HIS  66          1HB       HIS  66  -6.398   2.148 -16.866
  495    HD1  HIS  66           HD1      HIS  66  -3.453   3.744 -15.228
  496    HD2  HIS  66           HD2      HIS  66  -7.535   4.439 -15.625
  497    HE1  HIS  66           HE1      HIS  66  -3.807   6.117 -14.499
  498    HE2  HIS  66           HE2      HIS  66  -6.263   6.542 -14.814
  499    H    HIS  67           H        HIS  67  -3.528   0.631 -15.132
  500    HA   HIS  67           HA       HIS  67  -2.759   0.745 -12.402
  501   1HB   HIS  67          2HB       HIS  67  -1.385  -0.503 -13.922
  502   2HB   HIS  67          1HB       HIS  67  -1.203   0.876 -14.998
  503    HD1  HIS  67           HD1      HIS  67   0.211  -0.662 -11.909
  504    HD2  HIS  67           HD2      HIS  67   0.733   2.774 -14.189
  505    HE1  HIS  67           HE1      HIS  67   2.368   0.345 -11.127
  506    HE2  HIS  67           HE2      HIS  67   2.742   2.322 -12.630
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1   2.736  20.666  10.227
    2   2H    MET   1          2H        MET   1   2.053  21.640  11.428
    3   3H    MET   1          3H        MET   1   1.629  21.876   9.814
    4    HA   MET   1           HA       MET   1   1.020  19.486  11.459
    5   1HB   MET   1          2HB       MET   1  -0.757  21.679  10.351
    6   2HB   MET   1          1HB       MET   1  -1.356  20.203  11.098
    7   1HG   MET   1          2HG       MET   1  -0.248  20.819  13.194
    8   2HG   MET   1          1HG       MET   1   0.329  22.307  12.445
    9   1HE   MET   1          1HE       MET   1  -0.730  23.751  14.408
   10   2HE   MET   1          2HE       MET   1  -1.273  22.255  15.175
   11   3HE   MET   1          3HE       MET   1  -2.404  23.587  14.938
   12    H    THR   2           H        THR   2   0.368  21.081   8.309
   13    HA   THR   2           HA       THR   2  -0.463  18.557   7.134
   14    HB   THR   2           HB       THR   2  -0.782  19.862   5.048
   15    HG1  THR   2           HG1      THR   2  -0.545  22.217   5.312
   16   1HG2  THR   2          1HG2      THR   2  -1.973  21.185   7.497
   17   2HG2  THR   2          2HG2      THR   2  -2.604  19.745   6.696
   18   3HG2  THR   2          3HG2      THR   2  -2.602  21.294   5.852
   19    H    ILE   3           H        ILE   3   0.784  17.200   5.967
   20    HA   ILE   3           HA       ILE   3   3.594  17.681   5.651
   21    HB   ILE   3           HB       ILE   3   3.658  15.507   4.491
   22   1HG1  ILE   3          2HG1      ILE   3   0.643  15.518   4.859
   23   2HG1  ILE   3          1HG1      ILE   3   1.481  15.670   3.317
   24   1HG2  ILE   3          1HG2      ILE   3   2.009  15.476   7.023
   25   2HG2  ILE   3          2HG2      ILE   3   3.767  15.583   6.930
   26   3HG2  ILE   3          3HG2      ILE   3   2.941  14.123   6.383
   27   1HD1  ILE   3          1HD1      ILE   3   1.509  13.270   5.136
   28   2HD1  ILE   3          2HD1      ILE   3   2.403  13.414   3.620
   29   3HD1  ILE   3          3HD1      ILE   3   0.639  13.429   3.609
   30    H    GLN   4           H        GLN   4   0.843  18.373   3.766
   31    HA   GLN   4           HA       GLN   4   0.513  19.394   1.783
   32   1HB   GLN   4          2HB       GLN   4   3.523  19.692   1.647
   33   2HB   GLN   4          1HB       GLN   4   2.357  20.531   0.636
   34   1HG   GLN   4          2HG       GLN   4   1.444  21.624   2.663
   35   2HG   GLN   4          1HG       GLN   4   2.709  20.845   3.614
   36   1HE2  GLN   4          1HE2      GLN   4   3.667  22.769   4.237
   37   2HE2  GLN   4          2HE2      GLN   4   4.521  23.788   3.140
   38    H    ALA   5           H        ALA   5   0.183  18.772  -0.291
   39    HA   ALA   5           HA       ALA   5   0.149  17.525  -2.180
   40   1HB   ALA   5          1HB       ALA   5   2.451  18.336  -2.420
   41   2HB   ALA   5          2HB       ALA   5   2.248  16.722  -3.099
   42   3HB   ALA   5          3HB       ALA   5   3.036  16.928  -1.534
   43    HA   PRO   6           HA       PRO   6  -0.415  13.495   0.085
   44   1HB   PRO   6          2HB       PRO   6  -3.089  13.301  -0.151
   45   2HB   PRO   6          1HB       PRO   6  -2.339  14.284   1.114
   46   1HG   PRO   6          2HG       PRO   6  -3.502  15.148  -1.514
   47   2HG   PRO   6          1HG       PRO   6  -3.703  15.877   0.091
   48   1HD   PRO   6          2HD       PRO   6  -1.937  16.815  -1.786
   49   2HD   PRO   6          1HD       PRO   6  -1.701  17.011  -0.038
   50    H    GLU   7           H        GLU   7   0.785  13.256  -2.178
   51    HA   GLU   7           HA       GLU   7  -0.733  12.517  -4.461
   52   1HB   GLU   7          2HB       GLU   7   1.605  13.254  -4.604
   53   2HB   GLU   7          1HB       GLU   7   2.123  11.821  -3.729
   54   1HG   GLU   7          2HG       GLU   7   2.574  11.510  -6.059
   55   2HG   GLU   7          1HG       GLU   7   1.271  10.423  -5.589
   56    H    THR   8           H        THR   8  -0.937  10.388  -5.428
   57    HA   THR   8           HA       THR   8  -1.030   8.174  -3.458
   58    HB   THR   8           HB       THR   8  -3.035   8.730  -5.668
   59    HG1  THR   8           HG1      THR   8  -4.183   9.729  -4.192
   60   1HG2  THR   8          1HG2      THR   8  -4.331   6.893  -4.663
   61   2HG2  THR   8          2HG2      THR   8  -3.015   6.584  -3.532
   62   3HG2  THR   8          3HG2      THR   8  -2.767   6.333  -5.260
   63    H    LYS   9           H        LYS   9  -0.365   6.132  -4.172
   64    HA   LYS   9           HA       LYS   9   0.237   5.824  -7.035
   65   1HB   LYS   9          2HB       LYS   9   2.206   5.402  -4.792
   66   2HB   LYS   9          1HB       LYS   9   2.354   4.523  -6.306
   67   1HG   LYS   9          2HG       LYS   9   2.280   6.846  -7.423
   68   2HG   LYS   9          1HG       LYS   9   2.632   7.461  -5.810
   69   1HD   LYS   9          2HD       LYS   9   4.293   5.402  -7.275
   70   2HD   LYS   9          1HD       LYS   9   4.660   7.125  -7.222
   71   1HE   LYS   9          2HE       LYS   9   4.329   5.601  -4.661
   72   2HE   LYS   9          1HE       LYS   9   5.833   5.470  -5.566
   73   1HZ   LYS   9          1HZ       LYS   9   4.642   8.033  -4.668
   74   2HZ   LYS   9          2HZ       LYS   9   6.147   7.820  -5.408
   75   3HZ   LYS   9          3HZ       LYS   9   5.875   7.211  -3.856
   76    H    ILE  10           H        ILE  10  -0.518   3.993  -7.825
   77    HA   ILE  10           HA       ILE  10  -1.509   1.931  -5.993
   78    HB   ILE  10           HB       ILE  10  -1.917   2.260  -8.980
   79   1HG1  ILE  10          2HG1      ILE  10  -4.329   2.617  -8.252
   80   2HG1  ILE  10          1HG1      ILE  10  -3.736   2.732  -6.601
   81   1HG2  ILE  10          1HG2      ILE  10  -1.919  -0.100  -8.408
   82   2HG2  ILE  10          2HG2      ILE  10  -3.558   0.433  -8.785
   83   3HG2  ILE  10          3HG2      ILE  10  -3.072   0.193  -7.105
   84   1HD1  ILE  10          1HD1      ILE  10  -4.133   4.916  -7.609
   85   2HD1  ILE  10          2HD1      ILE  10  -2.953   4.550  -8.869
   86   3HD1  ILE  10          3HD1      ILE  10  -2.436   4.689  -7.188
   87    H    VAL  11           H        VAL  11  -0.109   0.381  -5.449
   88    HA   VAL  11           HA       VAL  11   1.970  -0.441  -7.370
   89    HB   VAL  11           HB       VAL  11   3.181  -1.368  -5.449
   90   1HG1  VAL  11          1HG1      VAL  11   3.595   0.953  -6.085
   91   2HG1  VAL  11          2HG1      VAL  11   3.754   0.743  -4.342
   92   3HG1  VAL  11          3HG1      VAL  11   2.304   1.494  -5.012
   93   1HG2  VAL  11          1HG2      VAL  11   1.302  -2.004  -4.046
   94   2HG2  VAL  11          2HG2      VAL  11   0.872  -0.311  -3.809
   95   3HG2  VAL  11          3HG2      VAL  11   2.384  -0.937  -3.154
   96    H    ASP  12           H        ASP  12   2.624  -2.771  -7.271
   97    HA   ASP  12           HA       ASP  12   0.211  -4.423  -7.447
   98   1HB   ASP  12          2HB       ASP  12   3.012  -5.043  -8.423
   99   2HB   ASP  12          1HB       ASP  12   1.532  -5.908  -8.835
  100    H    LYS  13           H        LYS  13   3.060  -4.086  -5.482
  101    HA   LYS  13           HA       LYS  13   2.459  -6.651  -4.137
  102   1HB   LYS  13          2HB       LYS  13   5.168  -5.321  -4.384
  103   2HB   LYS  13          1HB       LYS  13   4.832  -6.840  -3.564
  104   1HG   LYS  13          2HG       LYS  13   4.142  -7.834  -5.705
  105   2HG   LYS  13          1HG       LYS  13   4.509  -6.307  -6.514
  106   1HD   LYS  13          2HD       LYS  13   6.862  -6.518  -5.741
  107   2HD   LYS  13          1HD       LYS  13   6.466  -8.099  -5.063
  108   1HE   LYS  13          2HE       LYS  13   6.263  -7.313  -7.974
  109   2HE   LYS  13          1HE       LYS  13   7.536  -8.296  -7.257
  110   1HZ   LYS  13          1HZ       LYS  13   4.658  -9.009  -7.400
  111   2HZ   LYS  13          2HZ       LYS  13   5.858  -9.951  -6.675
  112   3HZ   LYS  13          3HZ       LYS  13   5.897  -9.669  -8.339
  113    H    SER  14           H        SER  14   2.788  -6.735  -1.840
  114    HA   SER  14           HA       SER  14   1.573  -4.488  -0.595
  115   1HB   SER  14          2HB       SER  14   2.763  -6.926   0.743
  116   2HB   SER  14          1HB       SER  14   1.601  -5.808   1.453
  117    HG   SER  14           HG       SER  14   0.237  -7.241   0.690
  118    H    ARG  15           H        ARG  15   4.955  -5.454  -0.785
  119    HA   ARG  15           HA       ARG  15   5.602  -3.518   1.347
  120   1HB   ARG  15          2HB       ARG  15   6.552  -5.949   1.255
  121   2HB   ARG  15          1HB       ARG  15   7.649  -5.300   0.042
  122   1HG   ARG  15          2HG       ARG  15   8.776  -5.213   2.139
  123   2HG   ARG  15          1HG       ARG  15   8.337  -3.555   1.721
  124   1HD   ARG  15          2HD       ARG  15   6.253  -3.914   3.147
  125   2HD   ARG  15          1HD       ARG  15   7.029  -5.385   3.728
  126    HE   ARG  15           HE       ARG  15   8.372  -2.792   4.025
  127   1HH1  ARG  15          1HH1      ARG  15   7.053  -5.652   5.427
  128   2HH1  ARG  15          2HH1      ARG  15   7.549  -5.216   7.025
  129   1HH2  ARG  15          1HH2      ARG  15   8.978  -2.248   6.103
  130   2HH2  ARG  15          2HH2      ARG  15   8.623  -3.335   7.400
  131    H    VAL  16           H        VAL  16   6.229  -1.522   0.807
  132    HA   VAL  16           HA       VAL  16   7.608  -1.085  -1.770
  133    HB   VAL  16           HB       VAL  16   5.521   0.772  -0.595
  134   1HG1  VAL  16          1HG1      VAL  16   6.931   0.846  -3.266
  135   2HG1  VAL  16          2HG1      VAL  16   7.246   1.917  -1.900
  136   3HG1  VAL  16          3HG1      VAL  16   5.684   1.967  -2.719
  137   1HG2  VAL  16          1HG2      VAL  16   4.073   0.090  -2.459
  138   2HG2  VAL  16          2HG2      VAL  16   4.451  -1.272  -1.404
  139   3HG2  VAL  16          3HG2      VAL  16   5.272  -1.102  -2.956
  140    H    ALA  17           H        ALA  17   9.283   0.390  -1.752
  141    HA   ALA  17           HA       ALA  17  10.187   1.348   0.863
  142   1HB   ALA  17          1HB       ALA  17  12.308   1.814  -0.234
  143   2HB   ALA  17          2HB       ALA  17  11.603   1.433  -1.804
  144   3HB   ALA  17          3HB       ALA  17  11.785   0.168  -0.589
  145    H    CYS  18           H        CYS  18   9.606   3.319   1.520
  146    HA   CYS  18           HA       CYS  18   8.653   5.331  -0.329
  147   1HB   CYS  18          2HB       CYS  18   7.528   5.139   1.806
  148   2HB   CYS  18          1HB       CYS  18   9.037   5.392   2.677
  149    HG   CYS  18           HG       CYS  18   6.999   7.637   1.214
  150    H    ASP  19           H        ASP  19  10.392   5.977  -1.596
  151    HA   ASP  19           HA       ASP  19  12.953   6.557  -0.507
  152   1HB   ASP  19          2HB       ASP  19  12.437   5.869  -2.909
  153   2HB   ASP  19          1HB       ASP  19  11.959   7.546  -3.180
  154    H    GLY  20           H        GLY  20  10.980   8.965  -2.324
  155   1HA   GLY  20          2HA       GLY  20  10.471  10.805  -0.384
  156   2HA   GLY  20          1HA       GLY  20  12.167  11.081  -0.741
  157    H    GLY  21           H        GLY  21  11.571  13.210  -1.360
  158   1HA   GLY  21          2HA       GLY  21  10.057  13.465  -3.883
  159   2HA   GLY  21          1HA       GLY  21  10.365  14.763  -2.740
  160    H    GLU  22           H        GLU  22  12.627  15.470  -2.521
  161    HA   GLU  22           HA       GLU  22  14.067  15.362  -5.084
  162   1HB   GLU  22          2HB       GLU  22  14.370  17.317  -2.788
  163   2HB   GLU  22          1HB       GLU  22  15.201  17.409  -4.337
  164   1HG   GLU  22          2HG       GLU  22  12.228  17.664  -3.884
  165   2HG   GLU  22          1HG       GLU  22  13.349  18.975  -4.246
  166    H    GLY  23           H        GLY  23  16.493  15.435  -4.924
  167   1HA   GLY  23          2HA       GLY  23  17.643  13.234  -3.824
  168   2HA   GLY  23          1HA       GLY  23  18.535  14.710  -4.143
  169    H    ALA  24           H        ALA  24  17.888  16.456  -2.281
  170    HA   ALA  24           HA       ALA  24  19.100  15.420   0.089
  171   1HB   ALA  24          1HB       ALA  24  17.786  18.107  -0.312
  172   2HB   ALA  24          2HB       ALA  24  19.454  17.720  -0.734
  173   3HB   ALA  24          3HB       ALA  24  18.938  17.671   0.953
  174    H    LEU  25           H        LEU  25  15.859  15.556  -0.947
  175    HA   LEU  25           HA       LEU  25  14.754  15.458   1.772
  176   1HB   LEU  25          2HB       LEU  25  13.363  15.551  -0.908
  177   2HB   LEU  25          1HB       LEU  25  12.556  15.561   0.648
  178    HG   LEU  25           HG       LEU  25  14.389  17.721  -0.410
  179   1HD1  LEU  25          1HD1      LEU  25  11.400  17.707   0.019
  180   2HD1  LEU  25          2HD1      LEU  25  12.228  17.673  -1.538
  181   3HD1  LEU  25          3HD1      LEU  25  12.366  19.090  -0.498
  182   1HD2  LEU  25          1HD2      LEU  25  12.848  17.564   2.188
  183   2HD2  LEU  25          2HD2      LEU  25  13.684  18.994   1.582
  184   3HD2  LEU  25          3HD2      LEU  25  14.603  17.550   2.000
  185    H    GLY  26           H        GLY  26  16.246  13.264   0.087
  186   1HA   GLY  26          2HA       GLY  26  14.285  11.142  -0.081
  187   2HA   GLY  26          1HA       GLY  26  16.003  11.005  -0.399
  188    H    HIS  27           H        HIS  27  14.128   9.322   1.192
  189    HA   HIS  27           HA       HIS  27  15.014   9.681   3.952
  190   1HB   HIS  27          2HB       HIS  27  13.131   7.576   2.862
  191   2HB   HIS  27          1HB       HIS  27  13.319   8.078   4.541
  192    HD1  HIS  27           HD1      HIS  27  11.013   8.412   1.960
  193    HD2  HIS  27           HD2      HIS  27  12.752  11.150   4.557
  194    HE1  HIS  27           HE1      HIS  27   9.479  10.399   1.967
  195    HE2  HIS  27           HE2      HIS  27  10.647  12.109   3.401
  196    HA   PRO  28           HA       PRO  28  18.168   6.562   3.662
  197   1HB   PRO  28          2HB       PRO  28  18.423   5.839   6.255
  198   2HB   PRO  28          1HB       PRO  28  18.920   7.429   5.663
  199   1HG   PRO  28          2HG       PRO  28  16.385   6.645   7.063
  200   2HG   PRO  28          1HG       PRO  28  17.440   8.040   7.361
  201   1HD   PRO  28          2HD       PRO  28  15.153   8.221   5.905
  202   2HD   PRO  28          1HD       PRO  28  16.574   9.237   5.586
  203    H    ARG  29           H        ARG  29  16.062   5.342   2.594
  204    HA   ARG  29           HA       ARG  29  15.139   3.426   2.109
  205   1HB   ARG  29          2HB       ARG  29  17.562   2.752   2.319
  206   2HB   ARG  29          1HB       ARG  29  17.149   2.119   3.907
  207   1HG   ARG  29          2HG       ARG  29  17.062   0.350   2.270
  208   2HG   ARG  29          1HG       ARG  29  15.442   0.679   2.867
  209   1HD   ARG  29          2HD       ARG  29  15.231   0.479   0.529
  210   2HD   ARG  29          1HD       ARG  29  15.149   2.189   0.858
  211    HE   ARG  29           HE       ARG  29  17.755   1.850   0.316
  212   1HH1  ARG  29          1HH1      ARG  29  14.909   0.854  -1.357
  213   2HH1  ARG  29          2HH1      ARG  29  15.662   0.932  -2.908
  214   1HH2  ARG  29          1HH2      ARG  29  18.698   1.957  -1.671
  215   2HH2  ARG  29          2HH2      ARG  29  17.784   1.549  -3.087
  216    H    VAL  30           H        VAL  30  13.259   3.866   3.063
  217    HA   VAL  30           HA       VAL  30  12.673   2.322   5.521
  218    HB   VAL  30           HB       VAL  30  10.699   3.829   5.864
  219   1HG1  VAL  30          1HG1      VAL  30  12.732   4.136   7.159
  220   2HG1  VAL  30          2HG1      VAL  30  12.009   5.701   6.785
  221   3HG1  VAL  30          3HG1      VAL  30  13.419   5.142   5.882
  222   1HG2  VAL  30          1HG2      VAL  30  12.021   5.504   3.724
  223   2HG2  VAL  30          2HG2      VAL  30  10.673   6.016   4.739
  224   3HG2  VAL  30          3HG2      VAL  30  10.461   4.692   3.594
  225    H    TRP  31           H        TRP  31  11.574   0.517   5.134
  226    HA   TRP  31           HA       TRP  31  10.006   0.250   2.668
  227   1HB   TRP  31          2HB       TRP  31  10.932  -1.827   4.667
  228   2HB   TRP  31          1HB       TRP  31  10.017  -2.182   3.207
  229    HD1  TRP  31           HD1      TRP  31  13.525  -1.192   4.381
  230    HE1  TRP  31           HE1      TRP  31  15.176  -1.571   2.444
  231    HE3  TRP  31           HE3      TRP  31  10.177  -2.254   0.655
  232    HZ2  TRP  31           HZ2      TRP  31  15.073  -2.231  -0.293
  233    HZ3  TRP  31           HZ3      TRP  31  11.040  -2.753  -1.597
  234    HH2  TRP  31           HH2      TRP  31  13.445  -2.741  -2.061
  235    H    LEU  32           H        LEU  32   7.924   0.861   2.882
  236    HA   LEU  32           HA       LEU  32   6.477   0.364   5.371
  237   1HB   LEU  32          2HB       LEU  32   5.755   1.820   2.826
  238   2HB   LEU  32          1HB       LEU  32   4.579   1.498   4.086
  239    HG   LEU  32           HG       LEU  32   5.959   2.810   5.682
  240   1HD1  LEU  32          1HD1      LEU  32   7.747   4.252   4.834
  241   2HD1  LEU  32          2HD1      LEU  32   7.629   3.469   3.256
  242   3HD1  LEU  32          3HD1      LEU  32   8.145   2.543   4.665
  243   1HD2  LEU  32          1HD2      LEU  32   5.398   5.005   4.774
  244   2HD2  LEU  32          2HD2      LEU  32   4.093   3.853   4.501
  245   3HD2  LEU  32          3HD2      LEU  32   5.167   4.299   3.174
  246    H    GLN  33           H        GLN  33   4.461  -0.783   5.433
  247    HA   GLN  33           HA       GLN  33   4.117  -2.783   3.285
  248   1HB   GLN  33          2HB       GLN  33   5.029  -3.909   5.204
  249   2HB   GLN  33          1HB       GLN  33   3.886  -3.121   6.280
  250   1HG   GLN  33          2HG       GLN  33   2.995  -5.228   6.117
  251   2HG   GLN  33          1HG       GLN  33   2.082  -4.365   4.888
  252   1HE2  GLN  33          1HE2      GLN  33   4.339  -4.435   2.957
  253   2HE2  GLN  33          2HE2      GLN  33   4.404  -6.059   2.400
  254    H    ILE  34           H        ILE  34   2.166  -2.868   2.372
  255    HA   ILE  34           HA       ILE  34   0.008  -1.232   3.416
  256    HB   ILE  34           HB       ILE  34   0.047  -2.960   0.929
  257   1HG1  ILE  34          2HG1      ILE  34   0.592   0.008   1.223
  258   2HG1  ILE  34          1HG1      ILE  34   1.815  -1.217   0.904
  259   1HG2  ILE  34          1HG2      ILE  34  -1.825  -1.494   0.225
  260   2HG2  ILE  34          2HG2      ILE  34  -1.796  -0.736   1.817
  261   3HG2  ILE  34          3HG2      ILE  34  -2.202  -2.444   1.662
  262   1HD1  ILE  34          1HD1      ILE  34   1.214  -0.036  -1.117
  263   2HD1  ILE  34          2HD1      ILE  34  -0.478  -0.483  -0.900
  264   3HD1  ILE  34          3HD1      ILE  34   0.728  -1.728  -1.225
  265    HA   PRO  35           HA       PRO  35  -1.797  -4.937   5.286
  266   1HB   PRO  35          2HB       PRO  35  -3.638  -3.696   6.810
  267   2HB   PRO  35          1HB       PRO  35  -1.922  -3.685   7.230
  268   1HG   PRO  35          2HG       PRO  35  -3.573  -1.549   5.957
  269   2HG   PRO  35          1HG       PRO  35  -2.295  -1.399   7.171
  270   1HD   PRO  35          2HD       PRO  35  -1.968  -0.947   4.454
  271   2HD   PRO  35          1HD       PRO  35  -0.651  -1.324   5.580
  272    H    GLU  36           H        GLU  36  -3.192  -6.196   4.190
  273    HA   GLU  36           HA       GLU  36  -4.811  -5.328   2.095
  274   1HB   GLU  36          2HB       GLU  36  -5.778  -7.579   2.097
  275   2HB   GLU  36          1HB       GLU  36  -4.033  -7.636   2.307
  276   1HG   GLU  36          2HG       GLU  36  -4.296  -8.021   4.684
  277   2HG   GLU  36          1HG       GLU  36  -6.046  -7.875   4.539
  278    H    ASP  37           H        ASP  37  -5.508  -5.449   5.489
  279    HA   ASP  37           HA       ASP  37  -8.334  -5.449   5.377
  280   1HB   ASP  37          2HB       ASP  37  -6.525  -4.285   7.509
  281   2HB   ASP  37          1HB       ASP  37  -8.228  -4.700   7.704
  282    H    THR  38           H        THR  38  -5.965  -2.823   5.223
  283    HA   THR  38           HA       THR  38  -8.083  -0.799   5.164
  284    HB   THR  38           HB       THR  38  -6.334   0.874   5.164
  285    HG1  THR  38           HG1      THR  38  -4.190   0.365   4.872
  286   1HG2  THR  38          1HG2      THR  38  -6.861  -0.107   7.343
  287   2HG2  THR  38          2HG2      THR  38  -5.155   0.329   7.254
  288   3HG2  THR  38          3HG2      THR  38  -5.645  -1.357   7.086
  289    H    GLY  39           H        GLY  39  -5.399  -1.907   3.106
  290   1HA   GLY  39          2HA       GLY  39  -5.669  -2.269   0.745
  291   2HA   GLY  39          1HA       GLY  39  -6.930  -1.049   0.729
  292    H    TRP  40           H        TRP  40  -4.490   0.115   2.636
  293    HA   TRP  40           HA       TRP  40  -2.745   1.180   0.619
  294   1HB   TRP  40          2HB       TRP  40  -3.432   3.564   0.942
  295   2HB   TRP  40          1HB       TRP  40  -4.661   2.592   0.139
  296    HD1  TRP  40           HD1      TRP  40  -6.939   2.146   1.462
  297    HE1  TRP  40           HE1      TRP  40  -7.998   3.268   3.520
  298    HE3  TRP  40           HE3      TRP  40  -2.856   4.693   3.201
  299    HZ2  TRP  40           HZ2      TRP  40  -7.217   5.001   5.598
  300    HZ3  TRP  40           HZ3      TRP  40  -3.099   6.059   5.234
  301    HH2  TRP  40           HH2      TRP  40  -5.236   6.208   6.407
  302    H    VAL  41           H        VAL  41  -1.109   2.659   1.532
  303    HA   VAL  41           HA       VAL  41  -1.116   2.933   4.453
  304    HB   VAL  41           HB       VAL  41   0.236   0.896   3.908
  305   1HG1  VAL  41          1HG1      VAL  41   2.401   1.110   2.841
  306   2HG1  VAL  41          2HG1      VAL  41   2.144   2.839   2.607
  307   3HG1  VAL  41          3HG1      VAL  41   1.136   1.675   1.748
  308   1HG2  VAL  41          1HG2      VAL  41   1.793   3.201   5.093
  309   2HG2  VAL  41          2HG2      VAL  41   2.137   1.487   5.330
  310   3HG2  VAL  41          3HG2      VAL  41   0.641   2.180   5.954
  311    H    GLU  42           H        GLU  42  -0.105   4.776   5.205
  312    HA   GLU  42           HA       GLU  42   0.527   6.788   3.156
  313   1HB   GLU  42          2HB       GLU  42   0.159   8.415   5.027
  314   2HB   GLU  42          1HB       GLU  42  -1.251   7.435   4.641
  315   1HG   GLU  42          2HG       GLU  42  -0.940   6.063   6.555
  316   2HG   GLU  42          1HG       GLU  42   0.653   6.747   6.870
  317    H    CYS  43           H        CYS  43   2.510   7.814   3.038
  318    HA   CYS  43           HA       CYS  43   4.537   7.100   5.049
  319   1HB   CYS  43          2HB       CYS  43   6.167   8.047   3.518
  320   2HB   CYS  43          1HB       CYS  43   5.133   6.925   2.644
  321    HG   CYS  43           HG       CYS  43   3.793   9.893   2.400
  322    HA   PRO  44           HA       PRO  44   3.233  11.083   6.897
  323   1HB   PRO  44          2HB       PRO  44   4.947  10.144   9.122
  324   2HB   PRO  44          1HB       PRO  44   3.248  10.625   9.138
  325   1HG   PRO  44          2HG       PRO  44   3.960   8.060   9.398
  326   2HG   PRO  44          1HG       PRO  44   2.511   8.523   8.484
  327   1HD   PRO  44          2HD       PRO  44   5.234   7.762   7.459
  328   2HD   PRO  44          1HD       PRO  44   3.631   7.261   6.873
  329    H    TYR  45           H        TYR  45   6.228   9.993   5.852
  330    HA   TYR  45           HA       TYR  45   7.822  12.181   6.869
  331   1HB   TYR  45          2HB       TYR  45   8.587  10.239   4.677
  332   2HB   TYR  45          1HB       TYR  45   9.659  11.175   5.714
  333    HD1  TYR  45           HD2      TYR  45   9.912  10.544   8.122
  334    HD2  TYR  45           HD1      TYR  45   7.704   8.136   5.389
  335    HE1  TYR  45           HE2      TYR  45  10.030   8.653   9.689
  336    HE2  TYR  45           HE1      TYR  45   7.814   6.249   6.954
  337    HH   TYR  45           HH       TYR  45   8.809   6.592  10.189
  338    H    CYS  46           H        CYS  46   7.517  11.109   3.488
  339    HA   CYS  46           HA       CYS  46   6.112  13.219   2.403
  340   1HB   CYS  46          2HB       CYS  46   7.893  14.631   1.387
  341   2HB   CYS  46          1HB       CYS  46   7.846  14.753   3.142
  342    HG   CYS  46           HG       CYS  46  10.473  14.563   1.599
  343    H    ASP  47           H        ASP  47   5.409  11.470   1.107
  344    HA   ASP  47           HA       ASP  47   6.842  11.335  -1.383
  345   1HB   ASP  47          2HB       ASP  47   7.948   9.517  -0.108
  346   2HB   ASP  47          1HB       ASP  47   6.382   8.751   0.137
  347    H    CYS  48           H        CYS  48   4.504   8.954  -0.107
  348    HA   CYS  48           HA       CYS  48   2.256  10.199  -1.418
  349   1HB   CYS  48          2HB       CYS  48   3.365   7.623  -2.574
  350   2HB   CYS  48          1HB       CYS  48   1.830   8.358  -3.020
  351    HG   CYS  48           HG       CYS  48   3.608  10.787  -3.659
  352    H    LYS  49           H        LYS  49   0.348   8.658  -1.519
  353    HA   LYS  49           HA       LYS  49   0.224   6.848   0.794
  354   1HB   LYS  49          2HB       LYS  49  -1.541   8.597   0.568
  355   2HB   LYS  49          1HB       LYS  49  -1.995   7.917  -0.987
  356   1HG   LYS  49          2HG       LYS  49  -2.425   5.733   0.331
  357   2HG   LYS  49          1HG       LYS  49  -2.389   6.769   1.760
  358   1HD   LYS  49          2HD       LYS  49  -4.227   7.105  -0.621
  359   2HD   LYS  49          1HD       LYS  49  -4.686   6.431   0.943
  360   1HE   LYS  49          2HE       LYS  49  -3.573   9.218   0.626
  361   2HE   LYS  49          1HE       LYS  49  -5.298   8.866   0.530
  362   1HZ   LYS  49          1HZ       LYS  49  -3.554   8.305   2.873
  363   2HZ   LYS  49          2HZ       LYS  49  -5.215   7.998   2.777
  364   3HZ   LYS  49          3HZ       LYS  49  -4.646   9.587   2.741
  365    H    TYR  50           H        TYR  50   0.634   4.742   0.324
  366    HA   TYR  50           HA       TYR  50   0.672   3.904  -2.455
  367   1HB   TYR  50          2HB       TYR  50   1.465   2.366   0.027
  368   2HB   TYR  50          1HB       TYR  50   1.816   1.910  -1.637
  369    HD1  TYR  50           HD1      TYR  50   3.263   3.558  -3.023
  370    HD2  TYR  50           HD2      TYR  50   3.000   3.668   1.230
  371    HE1  TYR  50           HE1      TYR  50   5.376   4.811  -2.920
  372    HE2  TYR  50           HE2      TYR  50   5.113   4.916   1.332
  373    HH   TYR  50           HH       TYR  50   6.504   6.363  -1.373
  374    H    VAL  51           H        VAL  51  -1.301   3.384  -3.251
  375    HA   VAL  51           HA       VAL  51  -3.131   1.699  -1.721
  376    HB   VAL  51           HB       VAL  51  -3.370   2.741  -4.559
  377   1HG1  VAL  51          1HG1      VAL  51  -4.705   0.730  -4.256
  378   2HG1  VAL  51          2HG1      VAL  51  -5.755   2.143  -4.351
  379   3HG1  VAL  51          3HG1      VAL  51  -5.423   1.397  -2.788
  380   1HG2  VAL  51          1HG2      VAL  51  -4.621   3.746  -1.994
  381   2HG2  VAL  51          2HG2      VAL  51  -4.958   4.358  -3.614
  382   3HG2  VAL  51          3HG2      VAL  51  -3.350   4.549  -2.918
  383    H    LEU  52           H        LEU  52  -3.424  -0.471  -2.001
  384    HA   LEU  52           HA       LEU  52  -1.482  -1.829  -3.740
  385   1HB   LEU  52          2HB       LEU  52  -1.426  -2.368  -1.368
  386   2HB   LEU  52          1HB       LEU  52  -3.111  -2.850  -1.412
  387    HG   LEU  52           HG       LEU  52  -2.537  -4.740  -2.886
  388   1HD1  LEU  52          1HD1      LEU  52  -0.613  -3.765  -4.036
  389   2HD1  LEU  52          2HD1      LEU  52  -0.201  -5.322  -3.319
  390   3HD1  LEU  52          3HD1      LEU  52   0.324  -3.827  -2.541
  391   1HD2  LEU  52          1HD2      LEU  52  -0.838  -4.630  -0.388
  392   2HD2  LEU  52          2HD2      LEU  52  -1.344  -6.090  -1.239
  393   3HD2  LEU  52          3HD2      LEU  52  -2.547  -5.065  -0.457
  394    H    LYS  53           H        LYS  53  -2.035  -3.002  -5.455
  395    HA   LYS  53           HA       LYS  53  -4.697  -3.120  -6.434
  396   1HB   LYS  53          2HB       LYS  53  -2.708  -3.122  -7.892
  397   2HB   LYS  53          1HB       LYS  53  -2.260  -4.706  -7.280
  398   1HG   LYS  53          2HG       LYS  53  -4.301  -5.668  -8.235
  399   2HG   LYS  53          1HG       LYS  53  -4.769  -4.077  -8.838
  400   1HD   LYS  53          2HD       LYS  53  -2.273  -5.595  -9.638
  401   2HD   LYS  53          1HD       LYS  53  -3.749  -5.465 -10.600
  402   1HE   LYS  53          2HE       LYS  53  -3.452  -3.038 -10.734
  403   2HE   LYS  53          1HE       LYS  53  -1.995  -3.153  -9.748
  404   1HZ   LYS  53          1HZ       LYS  53  -0.989  -4.511 -11.483
  405   2HZ   LYS  53          2HZ       LYS  53  -1.440  -2.994 -12.073
  406   3HZ   LYS  53          3HZ       LYS  53  -2.379  -4.356 -12.434
  407    H    GLY  54           H        GLY  54  -6.184  -4.782  -6.468
  408   1HA   GLY  54          2HA       GLY  54  -7.216  -6.771  -5.913
  409   2HA   GLY  54          1HA       GLY  54  -5.625  -7.455  -5.624
  410    H    SER  55           H        SER  55  -6.140  -4.646  -3.800
  411    HA   SER  55           HA       SER  55  -6.507  -6.258  -1.373
  412   1HB   SER  55          2HB       SER  55  -4.569  -4.713  -1.494
  413   2HB   SER  55          1HB       SER  55  -5.678  -3.354  -1.653
  414    HG   SER  55           HG       SER  55  -4.764  -4.192   0.552
  415    H    LYS  56           H        LYS  56  -7.545  -4.475   0.410
  416    HA   LYS  56           HA       LYS  56 -10.287  -4.746   0.107
  417   1HB   LYS  56          2HB       LYS  56  -8.952  -4.226   2.218
  418   2HB   LYS  56          1HB       LYS  56  -8.990  -2.542   1.721
  419   1HG   LYS  56          2HG       LYS  56 -10.717  -2.847   3.313
  420   2HG   LYS  56          1HG       LYS  56 -11.499  -2.692   1.738
  421   1HD   LYS  56          2HD       LYS  56 -11.800  -5.091   1.602
  422   2HD   LYS  56          1HD       LYS  56 -10.882  -5.325   3.091
  423   1HE   LYS  56          2HE       LYS  56 -12.623  -4.005   4.294
  424   2HE   LYS  56          1HE       LYS  56 -13.561  -3.963   2.798
  425   1HZ   LYS  56          1HZ       LYS  56 -12.737  -6.417   4.245
  426   2HZ   LYS  56          2HZ       LYS  56 -13.663  -6.367   2.834
  427   3HZ   LYS  56          3HZ       LYS  56 -14.283  -5.739   4.275
  428    H    ALA  57           H        ALA  57  -8.281  -1.911  -0.658
  429    HA   ALA  57           HA       ALA  57 -10.562  -0.273  -1.354
  430   1HB   ALA  57          1HB       ALA  57  -8.608   0.705  -0.255
  431   2HB   ALA  57          2HB       ALA  57  -8.910   1.467  -1.818
  432   3HB   ALA  57          3HB       ALA  57  -7.609   0.288  -1.646
  433    H    ASP  58           H        ASP  58  -9.194  -2.731  -3.024
  434    HA   ASP  58           HA       ASP  58  -8.812  -1.505  -5.601
  435   1HB   ASP  58          2HB       ASP  58  -7.604  -3.555  -4.875
  436   2HB   ASP  58          1HB       ASP  58  -9.129  -4.436  -4.904
  437    H    ALA  59           H        ALA  59 -11.442  -3.234  -4.009
  438    HA   ALA  59           HA       ALA  59 -13.045  -3.432  -6.407
  439   1HB   ALA  59          1HB       ALA  59 -14.756  -4.382  -4.918
  440   2HB   ALA  59          2HB       ALA  59 -13.748  -3.994  -3.523
  441   3HB   ALA  59          3HB       ALA  59 -13.191  -5.170  -4.713
  442    H    LEU  60           H        LEU  60 -12.465  -0.812  -6.225
  443    HA   LEU  60           HA       LEU  60 -14.459   0.686  -4.796
  444   1HB   LEU  60          2HB       LEU  60 -13.512   2.628  -6.115
  445   2HB   LEU  60          1HB       LEU  60 -12.402   1.787  -5.057
  446    HG   LEU  60           HG       LEU  60 -11.597   0.515  -7.128
  447   1HD1  LEU  60          1HD1      LEU  60 -13.436   1.010  -8.636
  448   2HD1  LEU  60          2HD1      LEU  60 -11.923   1.640  -9.288
  449   3HD1  LEU  60          3HD1      LEU  60 -13.084   2.737  -8.537
  450   1HD2  LEU  60          1HD2      LEU  60 -10.076   2.294  -7.777
  451   2HD2  LEU  60          2HD2      LEU  60 -10.315   2.303  -6.030
  452   3HD2  LEU  60          3HD2      LEU  60 -11.131   3.500  -7.037
  453    H    GLU  61           H        GLU  61 -16.063   2.067  -5.754
  454    HA   GLU  61           HA       GLU  61 -17.932   2.409  -7.004
  455   1HB   GLU  61          2HB       GLU  61 -16.018   1.810  -9.272
  456   2HB   GLU  61          1HB       GLU  61 -17.578   2.605  -9.443
  457   1HG   GLU  61          2HG       GLU  61 -16.732   4.403  -7.915
  458   2HG   GLU  61          1HG       GLU  61 -15.145   3.640  -7.999
  459    H    HIS  62           H        HIS  62 -17.654  -0.258  -5.999
  460    HA   HIS  62           HA       HIS  62 -18.378  -2.155  -8.039
  461   1HB   HIS  62          2HB       HIS  62 -17.104  -2.697  -5.937
  462   2HB   HIS  62          1HB       HIS  62 -18.586  -2.443  -5.027
  463    HD1  HIS  62           HD1      HIS  62 -16.992  -4.823  -7.466
  464    HD2  HIS  62           HD2      HIS  62 -20.380  -4.570  -5.075
  465    HE1  HIS  62           HE1      HIS  62 -18.009  -7.114  -7.494
  466    HE2  HIS  62           HE2      HIS  62 -20.109  -6.910  -6.131
  467    H    HIS  63           H        HIS  63 -20.128   0.329  -7.123
  468    HA   HIS  63           HA       HIS  63 -22.326   0.889  -7.287
  469   1HB   HIS  63          2HB       HIS  63 -22.238  -0.628  -9.265
  470   2HB   HIS  63          1HB       HIS  63 -22.727  -1.965  -8.231
  471    HD1  HIS  63           HD1      HIS  63 -25.089  -2.498  -8.707
  472    HD2  HIS  63           HD2      HIS  63 -24.403   1.597  -8.807
  473    HE1  HIS  63           HE1      HIS  63 -27.311  -1.454  -9.202
  474    HE2  HIS  63           HE2      HIS  63 -26.827   0.994  -9.457
  475    H    HIS  64           H        HIS  64 -21.167  -0.594  -4.864
  476    HA   HIS  64           HA       HIS  64 -23.626  -1.673  -3.668
  477   1HB   HIS  64          2HB       HIS  64 -21.491  -2.978  -3.537
  478   2HB   HIS  64          1HB       HIS  64 -20.800  -1.684  -2.567
  479    HD1  HIS  64           HD1      HIS  64 -23.093  -4.603  -2.385
  480    HD2  HIS  64           HD2      HIS  64 -21.781  -1.534   0.090
  481    HE1  HIS  64           HE1      HIS  64 -23.804  -5.250  -0.070
  482    HE2  HIS  64           HE2      HIS  64 -23.129  -3.316   1.383
  483    H    HIS  65           H        HIS  65 -24.833  -0.453  -2.330
  484    HA   HIS  65           HA       HIS  65 -23.961   2.182  -1.546
  485   1HB   HIS  65          2HB       HIS  65 -26.519   0.639  -1.131
  486   2HB   HIS  65          1HB       HIS  65 -26.252   2.199  -0.360
  487    HD1  HIS  65           HD1      HIS  65 -28.206   1.171  -2.882
  488    HD2  HIS  65           HD2      HIS  65 -25.067   3.885  -2.870
  489    HE1  HIS  65           HE1      HIS  65 -28.617   2.672  -4.845
  490    HE2  HIS  65           HE2      HIS  65 -26.817   4.419  -4.692
  491    H    HIS  66           H        HIS  66 -24.481   2.934   0.736
  492    HA   HIS  66           HA       HIS  66 -23.959   0.987   2.851
  493   1HB   HIS  66          2HB       HIS  66 -22.084   2.262   3.781
  494   2HB   HIS  66          1HB       HIS  66 -21.710   1.747   2.140
  495    HD1  HIS  66           HD1      HIS  66 -22.404   4.790   4.194
  496    HD2  HIS  66           HD2      HIS  66 -21.451   3.837   0.263
  497    HE1  HIS  66           HE1      HIS  66 -21.797   6.968   3.105
  498    HE2  HIS  66           HE2      HIS  66 -21.098   6.351   0.772
  499    H    HIS  67           H        HIS  67 -26.077   2.950   1.887
  500    HA   HIS  67           HA       HIS  67 -26.268   4.776   4.186
  501   1HB   HIS  67          2HB       HIS  67 -26.488   5.702   1.871
  502   2HB   HIS  67          1HB       HIS  67 -27.930   4.718   1.648
  503    HD1  HIS  67           HD1      HIS  67 -26.726   7.881   3.117
  504    HD2  HIS  67           HD2      HIS  67 -30.198   5.602   3.172
  505    HE1  HIS  67           HE1      HIS  67 -28.505   9.391   4.028
  506    HE2  HIS  67           HE2      HIS  67 -30.567   7.963   4.160
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -12.165  16.718 -16.599
    2   2H    MET   1          2H        MET   1 -11.799  15.098 -16.892
    3   3H    MET   1          3H        MET   1 -11.711  16.223 -18.153
    4    HA   MET   1           HA       MET   1  -9.511  15.658 -17.387
    5   1HB   MET   1          2HB       MET   1 -10.348  18.454 -16.568
    6   2HB   MET   1          1HB       MET   1  -8.698  17.939 -16.901
    7   1HG   MET   1          2HG       MET   1 -10.977  18.061 -18.867
    8   2HG   MET   1          1HG       MET   1  -9.583  19.139 -18.789
    9   1HE   MET   1          1HE       MET   1 -10.464  17.731 -21.463
   10   2HE   MET   1          2HE       MET   1  -8.914  17.171 -22.091
   11   3HE   MET   1          3HE       MET   1  -9.041  18.762 -21.340
   12    H    THR   2           H        THR   2  -8.158  15.085 -15.757
   13    HA   THR   2           HA       THR   2  -9.173  14.778 -13.097
   14    HB   THR   2           HB       THR   2  -6.776  14.070 -12.569
   15    HG1  THR   2           HG1      THR   2  -6.013  13.600 -15.079
   16   1HG2  THR   2          1HG2      THR   2  -8.510  12.431 -13.107
   17   2HG2  THR   2          2HG2      THR   2  -6.962  11.946 -13.800
   18   3HG2  THR   2          3HG2      THR   2  -8.206  12.655 -14.830
   19    H    ILE   3           H        ILE   3  -8.101  15.579 -11.146
   20    HA   ILE   3           HA       ILE   3  -7.672  18.411 -11.184
   21    HB   ILE   3           HB       ILE   3  -7.128  16.472  -8.915
   22   1HG1  ILE   3          2HG1      ILE   3  -9.675  17.975  -9.593
   23   2HG1  ILE   3          1HG1      ILE   3  -9.436  16.241  -9.764
   24   1HG2  ILE   3          1HG2      ILE   3  -7.692  19.442  -8.893
   25   2HG2  ILE   3          2HG2      ILE   3  -6.141  18.675  -8.548
   26   3HG2  ILE   3          3HG2      ILE   3  -7.510  18.425  -7.465
   27   1HD1  ILE   3          1HD1      ILE   3 -10.715  16.782  -7.770
   28   2HD1  ILE   3          2HD1      ILE   3  -9.386  17.775  -7.172
   29   3HD1  ILE   3          3HD1      ILE   3  -9.174  16.031  -7.350
   30    H    GLN   4           H        GLN   4  -5.686  15.808 -11.844
   31    HA   GLN   4           HA       GLN   4  -3.531  15.636 -12.491
   32   1HB   GLN   4          2HB       GLN   4  -3.383  18.614 -11.965
   33   2HB   GLN   4          1HB       GLN   4  -2.133  17.669 -12.762
   34   1HG   GLN   4          2HG       GLN   4  -3.723  17.118 -14.559
   35   2HG   GLN   4          1HG       GLN   4  -4.941  18.116 -13.769
   36   1HE2  GLN   4          1HE2      GLN   4  -2.979  20.135 -12.955
   37   2HE2  GLN   4          2HE2      GLN   4  -2.584  21.011 -14.389
   38    H    ALA   5           H        ALA   5  -4.447  15.935  -9.466
   39    HA   ALA   5           HA       ALA   5  -1.697  15.659  -8.420
   40   1HB   ALA   5          1HB       ALA   5  -2.375  16.700  -6.327
   41   2HB   ALA   5          2HB       ALA   5  -4.005  16.944  -6.956
   42   3HB   ALA   5          3HB       ALA   5  -2.642  17.797  -7.680
   43    HA   PRO   6           HA       PRO   6  -3.964  11.894  -7.082
   44   1HB   PRO   6          2HB       PRO   6  -2.869  10.071  -8.719
   45   2HB   PRO   6          1HB       PRO   6  -4.172  11.135  -9.263
   46   1HG   PRO   6          2HG       PRO   6  -1.295  11.186  -9.951
   47   2HG   PRO   6          1HG       PRO   6  -2.678  11.815 -10.856
   48   1HD   PRO   6          2HD       PRO   6  -0.865  13.260  -9.128
   49   2HD   PRO   6          1HD       PRO   6  -2.219  13.899 -10.083
   50    H    GLU   7           H        GLU   7  -2.803  12.065  -5.076
   51    HA   GLU   7           HA       GLU   7  -0.098  11.047  -4.939
   52   1HB   GLU   7          2HB       GLU   7  -0.410  11.391  -2.433
   53   2HB   GLU   7          1HB       GLU   7  -0.489  12.825  -3.441
   54   1HG   GLU   7          2HG       GLU   7  -2.195  12.982  -1.796
   55   2HG   GLU   7          1HG       GLU   7  -2.964  12.700  -3.352
   56    H    THR   8           H        THR   8  -2.787   9.528  -5.426
   57    HA   THR   8           HA       THR   8  -2.459   7.305  -3.560
   58    HB   THR   8           HB       THR   8  -4.466   7.765  -5.785
   59    HG1  THR   8           HG1      THR   8  -4.591   8.982  -3.718
   60   1HG2  THR   8          1HG2      THR   8  -4.088   5.364  -5.557
   61   2HG2  THR   8          2HG2      THR   8  -5.661   5.795  -4.886
   62   3HG2  THR   8          3HG2      THR   8  -4.301   5.478  -3.810
   63    H    LYS   9           H        LYS   9  -0.977   5.812  -3.982
   64    HA   LYS   9           HA       LYS   9   0.023   5.500  -6.730
   65   1HB   LYS   9          2HB       LYS   9   1.543   6.159  -4.793
   66   2HB   LYS   9          1HB       LYS   9   1.308   4.537  -4.164
   67   1HG   LYS   9          2HG       LYS   9   3.376   4.552  -5.332
   68   2HG   LYS   9          1HG       LYS   9   2.227   3.654  -6.323
   69   1HD   LYS   9          2HD       LYS   9   1.969   5.465  -7.839
   70   2HD   LYS   9          1HD       LYS   9   2.784   6.588  -6.749
   71   1HE   LYS   9          2HE       LYS   9   4.881   5.300  -7.054
   72   2HE   LYS   9          1HE       LYS   9   4.045   4.258  -8.205
   73   1HZ   LYS   9          1HZ       LYS   9   5.341   6.021  -9.281
   74   2HZ   LYS   9          2HZ       LYS   9   4.387   7.191  -8.522
   75   3HZ   LYS   9          3HZ       LYS   9   3.693   6.134  -9.646
   76    H    ILE  10           H        ILE  10  -0.939   3.841  -7.786
   77    HA   ILE  10           HA       ILE  10  -1.980   1.529  -6.398
   78    HB   ILE  10           HB       ILE  10  -1.727   1.997  -9.383
   79   1HG1  ILE  10          2HG1      ILE  10  -4.098   2.483  -7.550
   80   2HG1  ILE  10          1HG1      ILE  10  -3.083   3.737  -8.250
   81   1HG2  ILE  10          1HG2      ILE  10  -3.419   0.023  -7.833
   82   2HG2  ILE  10          2HG2      ILE  10  -2.015  -0.360  -8.830
   83   3HG2  ILE  10          3HG2      ILE  10  -3.477   0.277  -9.580
   84   1HD1  ILE  10          1HD1      ILE  10  -4.812   1.812  -9.787
   85   2HD1  ILE  10          2HD1      ILE  10  -3.798   3.076 -10.485
   86   3HD1  ILE  10          3HD1      ILE  10  -5.171   3.509  -9.465
   87    H    VAL  11           H        VAL  11  -0.318   0.381  -5.493
   88    HA   VAL  11           HA       VAL  11   2.012  -0.345  -7.124
   89    HB   VAL  11           HB       VAL  11   1.688  -0.957  -4.187
   90   1HG1  VAL  11          1HG1      VAL  11   3.544  -2.017  -5.458
   91   2HG1  VAL  11          2HG1      VAL  11   4.102  -0.963  -4.160
   92   3HG1  VAL  11          3HG1      VAL  11   4.162  -0.410  -5.835
   93   1HG2  VAL  11          1HG2      VAL  11   1.240   1.425  -4.432
   94   2HG2  VAL  11          2HG2      VAL  11   2.712   1.623  -5.383
   95   3HG2  VAL  11          3HG2      VAL  11   2.816   1.173  -3.681
   96    H    ASP  12           H        ASP  12   2.816  -2.541  -7.109
   97    HA   ASP  12           HA       ASP  12   0.653  -4.515  -7.210
   98   1HB   ASP  12          2HB       ASP  12   2.051  -4.197  -9.207
   99   2HB   ASP  12          1HB       ASP  12   3.489  -4.606  -8.278
  100    H    LYS  13           H        LYS  13   2.880  -3.563  -4.951
  101    HA   LYS  13           HA       LYS  13   2.960  -6.217  -3.688
  102   1HB   LYS  13          2HB       LYS  13   5.343  -4.373  -4.019
  103   2HB   LYS  13          1HB       LYS  13   5.329  -5.819  -3.017
  104   1HG   LYS  13          2HG       LYS  13   5.007  -7.216  -4.968
  105   2HG   LYS  13          1HG       LYS  13   4.881  -5.792  -6.003
  106   1HD   LYS  13          2HD       LYS  13   7.325  -6.598  -4.413
  107   2HD   LYS  13          1HD       LYS  13   7.103  -6.842  -6.146
  108   1HE   LYS  13          2HE       LYS  13   6.923  -4.400  -6.443
  109   2HE   LYS  13          1HE       LYS  13   7.195  -4.178  -4.716
  110   1HZ   LYS  13          1HZ       LYS  13   9.372  -5.174  -4.955
  111   2HZ   LYS  13          2HZ       LYS  13   9.216  -3.860  -6.007
  112   3HZ   LYS  13          3HZ       LYS  13   9.104  -5.438  -6.604
  113    H    SER  14           H        SER  14   3.166  -6.183  -1.390
  114    HA   SER  14           HA       SER  14   2.067  -3.837  -0.110
  115   1HB   SER  14          2HB       SER  14   2.176  -5.202   1.955
  116   2HB   SER  14          1HB       SER  14   1.384  -6.057   0.641
  117    HG   SER  14           HG       SER  14   2.770  -7.525   1.370
  118    H    ARG  15           H        ARG  15   5.171  -5.529  -0.097
  119    HA   ARG  15           HA       ARG  15   6.446  -3.708   1.723
  120   1HB   ARG  15          2HB       ARG  15   7.454  -5.879  -0.116
  121   2HB   ARG  15          1HB       ARG  15   8.554  -4.868   0.811
  122   1HG   ARG  15          2HG       ARG  15   7.774  -5.702   2.869
  123   2HG   ARG  15          1HG       ARG  15   6.332  -6.403   2.130
  124   1HD   ARG  15          2HD       ARG  15   9.107  -7.328   1.412
  125   2HD   ARG  15          1HD       ARG  15   8.218  -8.004   2.781
  126    HE   ARG  15           HE       ARG  15   6.571  -8.104   0.516
  127   1HH1  ARG  15          1HH1      ARG  15   9.512  -9.512   1.631
  128   2HH1  ARG  15          2HH1      ARG  15   9.208 -11.027   0.862
  129   1HH2  ARG  15          1HH2      ARG  15   6.169 -10.056  -0.442
  130   2HH2  ARG  15          2HH2      ARG  15   7.332 -11.330  -0.315
  131    H    VAL  16           H        VAL  16   6.310  -1.629   0.999
  132    HA   VAL  16           HA       VAL  16   7.427  -1.008  -1.667
  133    HB   VAL  16           HB       VAL  16   5.563   0.698   0.005
  134   1HG1  VAL  16          1HG1      VAL  16   6.981   2.038  -1.435
  135   2HG1  VAL  16          2HG1      VAL  16   5.336   2.028  -2.068
  136   3HG1  VAL  16          3HG1      VAL  16   6.578   1.028  -2.823
  137   1HG2  VAL  16          1HG2      VAL  16   3.828   0.109  -1.625
  138   2HG2  VAL  16          2HG2      VAL  16   4.433  -1.323  -0.794
  139   3HG2  VAL  16          3HG2      VAL  16   4.957  -0.976  -2.440
  140    H    ALA  17           H        ALA  17   9.099   0.418  -1.857
  141    HA   ALA  17           HA       ALA  17  10.408   1.261   0.631
  142   1HB   ALA  17          1HB       ALA  17  12.408   1.576  -0.743
  143   2HB   ALA  17          2HB       ALA  17  11.485   1.166  -2.189
  144   3HB   ALA  17          3HB       ALA  17  11.748  -0.048  -0.938
  145    H    CYS  18           H        CYS  18  10.070   3.287   1.308
  146    HA   CYS  18           HA       CYS  18   9.079   5.405  -0.300
  147   1HB   CYS  18          2HB       CYS  18   8.686   5.553   2.036
  148   2HB   CYS  18          1HB       CYS  18  10.391   5.343   2.416
  149    HG   CYS  18           HG       CYS  18   8.771   8.136   1.362
  150    H    ASP  19           H        ASP  19  10.109   6.675  -1.706
  151    HA   ASP  19           HA       ASP  19  13.042   6.688  -1.754
  152   1HB   ASP  19          2HB       ASP  19  11.850   6.080  -3.831
  153   2HB   ASP  19          1HB       ASP  19  11.044   7.645  -3.821
  154    H    GLY  20           H        GLY  20  10.650   9.189  -2.662
  155   1HA   GLY  20          2HA       GLY  20  10.896  10.997  -0.660
  156   2HA   GLY  20          1HA       GLY  20  12.366  11.262  -1.583
  157    H    GLY  21           H        GLY  21  10.948  13.430  -1.464
  158   1HA   GLY  21          2HA       GLY  21   9.217  13.634  -3.825
  159   2HA   GLY  21          1HA       GLY  21   9.592  14.925  -2.689
  160    H    GLU  22           H        GLU  22  11.320  16.273  -3.087
  161    HA   GLU  22           HA       GLU  22  12.831  15.952  -5.558
  162   1HB   GLU  22          2HB       GLU  22  13.189  18.039  -3.390
  163   2HB   GLU  22          1HB       GLU  22  13.812  18.108  -5.032
  164   1HG   GLU  22          2HG       GLU  22  11.514  18.262  -5.884
  165   2HG   GLU  22          1HG       GLU  22  10.907  18.224  -4.228
  166    H    GLY  23           H        GLY  23  15.278  16.075  -5.464
  167   1HA   GLY  23          2HA       GLY  23  16.589  14.217  -3.948
  168   2HA   GLY  23          1HA       GLY  23  17.362  15.680  -4.531
  169    H    ALA  24           H        ALA  24  16.295  17.663  -3.054
  170    HA   ALA  24           HA       ALA  24  17.549  17.457  -0.534
  171   1HB   ALA  24          1HB       ALA  24  15.503  19.489  -1.425
  172   2HB   ALA  24          2HB       ALA  24  17.234  19.575  -1.751
  173   3HB   ALA  24          3HB       ALA  24  16.643  19.664  -0.092
  174    H    LEU  25           H        LEU  25  14.452  16.436  -1.529
  175    HA   LEU  25           HA       LEU  25  13.534  16.146   1.267
  176   1HB   LEU  25          2HB       LEU  25  11.940  16.054  -1.309
  177   2HB   LEU  25          1HB       LEU  25  11.276  15.835   0.298
  178    HG   LEU  25           HG       LEU  25  12.543  18.380  -0.739
  179   1HD1  LEU  25          1HD1      LEU  25  10.400  17.950  -1.798
  180   2HD1  LEU  25          2HD1      LEU  25  10.259  19.283  -0.652
  181   3HD1  LEU  25          3HD1      LEU  25   9.649  17.684  -0.224
  182   1HD2  LEU  25          1HD2      LEU  25  11.186  17.785   1.895
  183   2HD2  LEU  25          2HD2      LEU  25  11.678  19.384   1.340
  184   3HD2  LEU  25          3HD2      LEU  25  12.896  18.150   1.652
  185    H    GLY  26           H        GLY  26  15.413  14.466  -0.459
  186   1HA   GLY  26          2HA       GLY  26  14.027  12.024  -1.055
  187   2HA   GLY  26          1HA       GLY  26  15.763  12.279  -1.101
  188    H    HIS  27           H        HIS  27  13.479  10.471   0.290
  189    HA   HIS  27           HA       HIS  27  14.666  10.306   2.957
  190   1HB   HIS  27          2HB       HIS  27  12.349   8.728   1.795
  191   2HB   HIS  27          1HB       HIS  27  12.804   8.840   3.495
  192    HD1  HIS  27           HD1      HIS  27  10.369  10.162   1.287
  193    HD2  HIS  27           HD2      HIS  27  12.758  11.808   4.273
  194    HE1  HIS  27           HE1      HIS  27   9.289  12.353   1.888
  195    HE2  HIS  27           HE2      HIS  27  10.816  13.382   3.604
  196    HA   PRO  28           HA       PRO  28  17.497   7.375   1.244
  197   1HB   PRO  28          2HB       PRO  28  18.888   6.749   3.471
  198   2HB   PRO  28          1HB       PRO  28  18.976   8.344   2.716
  199   1HG   PRO  28          2HG       PRO  28  17.354   7.463   5.083
  200   2HG   PRO  28          1HG       PRO  28  18.337   8.927   4.887
  201   1HD   PRO  28          2HD       PRO  28  15.637   8.907   4.568
  202   2HD   PRO  28          1HD       PRO  28  16.704  10.014   3.680
  203    H    ARG  29           H        ARG  29  15.017   6.061   1.523
  204    HA   ARG  29           HA       ARG  29  14.354   4.004   1.119
  205   1HB   ARG  29          2HB       ARG  29  16.482   3.461   0.219
  206   2HB   ARG  29          1HB       ARG  29  17.204   3.318   1.810
  207   1HG   ARG  29          2HG       ARG  29  14.981   1.490   0.994
  208   2HG   ARG  29          1HG       ARG  29  16.631   1.192   0.460
  209   1HD   ARG  29          2HD       ARG  29  17.199   1.531   2.979
  210   2HD   ARG  29          1HD       ARG  29  15.493   1.182   3.213
  211    HE   ARG  29           HE       ARG  29  16.826  -0.772   1.585
  212   1HH1  ARG  29          1HH1      ARG  29  16.144   0.171   4.824
  213   2HH1  ARG  29          2HH1      ARG  29  16.372  -1.421   5.454
  214   1HH2  ARG  29          1HH2      ARG  29  17.149  -2.795   2.396
  215   2HH2  ARG  29          2HH2      ARG  29  16.937  -3.089   4.090
  216    H    VAL  30           H        VAL  30  12.835   3.985   2.543
  217    HA   VAL  30           HA       VAL  30  13.267   2.208   4.852
  218    HB   VAL  30           HB       VAL  30  11.474   3.378   6.128
  219   1HG1  VAL  30          1HG1      VAL  30  13.822   3.817   6.638
  220   2HG1  VAL  30          2HG1      VAL  30  12.852   5.272   6.872
  221   3HG1  VAL  30          3HG1      VAL  30  13.860   5.104   5.432
  222   1HG2  VAL  30          1HG2      VAL  30  10.813   5.654   5.498
  223   2HG2  VAL  30          2HG2      VAL  30  10.346   4.494   4.255
  224   3HG2  VAL  30          3HG2      VAL  30  11.757   5.526   4.012
  225    H    TRP  31           H        TRP  31  11.609   0.676   5.203
  226    HA   TRP  31           HA       TRP  31   9.940   0.305   2.796
  227   1HB   TRP  31          2HB       TRP  31  11.223  -1.707   4.648
  228   2HB   TRP  31          1HB       TRP  31  10.041  -2.146   3.418
  229    HD1  TRP  31           HD1      TRP  31  13.610  -0.688   3.717
  230    HE1  TRP  31           HE1      TRP  31  14.845  -1.124   1.499
  231    HE3  TRP  31           HE3      TRP  31   9.743  -2.656   1.009
  232    HZ2  TRP  31           HZ2      TRP  31  14.256  -2.175  -1.052
  233    HZ3  TRP  31           HZ3      TRP  31  10.163  -3.352  -1.313
  234    HH2  TRP  31           HH2      TRP  31  12.374  -3.115  -2.321
  235    H    LEU  32           H        LEU  32   7.828   0.395   2.970
  236    HA   LEU  32           HA       LEU  32   6.552   0.082   5.605
  237   1HB   LEU  32          2HB       LEU  32   5.508   1.340   3.055
  238   2HB   LEU  32          1HB       LEU  32   4.589   1.186   4.538
  239    HG   LEU  32           HG       LEU  32   6.358   2.626   5.661
  240   1HD1  LEU  32          1HD1      LEU  32   7.723   4.061   4.209
  241   2HD1  LEU  32          2HD1      LEU  32   7.194   3.138   2.802
  242   3HD1  LEU  32          3HD1      LEU  32   8.162   2.361   4.054
  243   1HD2  LEU  32          1HD2      LEU  32   4.725   3.822   3.415
  244   2HD2  LEU  32          2HD2      LEU  32   5.441   4.730   4.748
  245   3HD2  LEU  32          3HD2      LEU  32   4.190   3.531   5.073
  246    H    GLN  33           H        GLN  33   4.474  -1.076   5.687
  247    HA   GLN  33           HA       GLN  33   4.287  -3.233   3.671
  248   1HB   GLN  33          2HB       GLN  33   5.251  -4.222   5.613
  249   2HB   GLN  33          1HB       GLN  33   4.115  -3.415   6.683
  250   1HG   GLN  33          2HG       GLN  33   3.667  -5.819   6.430
  251   2HG   GLN  33          1HG       GLN  33   2.315  -4.817   5.917
  252   1HE2  GLN  33          1HE2      GLN  33   5.157  -5.283   3.926
  253   2HE2  GLN  33          2HE2      GLN  33   4.373  -6.226   2.715
  254    H    ILE  34           H        ILE  34   2.510  -2.868   2.545
  255    HA   ILE  34           HA       ILE  34   0.199  -1.518   3.515
  256    HB   ILE  34           HB       ILE  34   0.477  -3.270   1.061
  257   1HG1  ILE  34          2HG1      ILE  34   0.760  -0.259   1.318
  258   2HG1  ILE  34          1HG1      ILE  34   2.096  -1.387   1.110
  259   1HG2  ILE  34          1HG2      ILE  34  -1.457  -2.003   0.206
  260   2HG2  ILE  34          2HG2      ILE  34  -1.591  -1.186   1.765
  261   3HG2  ILE  34          3HG2      ILE  34  -1.846  -2.928   1.657
  262   1HD1  ILE  34          1HD1      ILE  34  -0.123  -0.881  -0.862
  263   2HD1  ILE  34          2HD1      ILE  34   1.204  -2.024  -1.077
  264   3HD1  ILE  34          3HD1      ILE  34   1.536  -0.295  -0.979
  265    HA   PRO  35           HA       PRO  35  -1.538  -5.262   5.412
  266   1HB   PRO  35          2HB       PRO  35  -3.425  -4.073   6.892
  267   2HB   PRO  35          1HB       PRO  35  -1.711  -3.916   7.307
  268   1HG   PRO  35          2HG       PRO  35  -3.483  -1.995   5.828
  269   2HG   PRO  35          1HG       PRO  35  -2.346  -1.659   7.142
  270   1HD   PRO  35          2HD       PRO  35  -1.750  -1.271   4.496
  271   2HD   PRO  35          1HD       PRO  35  -0.522  -1.647   5.722
  272    H    GLU  36           H        GLU  36  -3.280  -6.571   4.922
  273    HA   GLU  36           HA       GLU  36  -4.820  -6.052   2.612
  274   1HB   GLU  36          2HB       GLU  36  -5.337  -8.100   4.786
  275   2HB   GLU  36          1HB       GLU  36  -6.069  -8.103   3.188
  276   1HG   GLU  36          2HG       GLU  36  -4.338  -9.726   3.189
  277   2HG   GLU  36          1HG       GLU  36  -3.784  -8.367   2.216
  278    H    ASP  37           H        ASP  37  -5.407  -5.494   5.987
  279    HA   ASP  37           HA       ASP  37  -8.177  -5.258   6.091
  280   1HB   ASP  37          2HB       ASP  37  -6.131  -3.668   7.659
  281   2HB   ASP  37          1HB       ASP  37  -7.810  -3.955   8.124
  282    H    THR  38           H        THR  38  -5.760  -2.703   5.513
  283    HA   THR  38           HA       THR  38  -7.862  -0.749   4.962
  284    HB   THR  38           HB       THR  38  -6.076   0.902   4.844
  285    HG1  THR  38           HG1      THR  38  -3.907   0.286   4.988
  286   1HG2  THR  38          1HG2      THR  38  -5.138   0.699   7.102
  287   2HG2  THR  38          2HG2      THR  38  -5.640  -0.991   7.162
  288   3HG2  THR  38          3HG2      THR  38  -6.853   0.287   7.086
  289    H    GLY  39           H        GLY  39  -5.066  -2.198   3.294
  290   1HA   GLY  39          2HA       GLY  39  -5.028  -2.760   0.985
  291   2HA   GLY  39          1HA       GLY  39  -6.346  -1.630   0.704
  292    H    TRP  40           H        TRP  40  -4.173  -0.136   2.713
  293    HA   TRP  40           HA       TRP  40  -2.345   0.843   0.699
  294   1HB   TRP  40          2HB       TRP  40  -3.114   3.216   0.894
  295   2HB   TRP  40          1HB       TRP  40  -4.275   2.161   0.098
  296    HD1  TRP  40           HD1      TRP  40  -6.613   1.782   1.277
  297    HE1  TRP  40           HE1      TRP  40  -7.793   2.939   3.246
  298    HE3  TRP  40           HE3      TRP  40  -2.637   4.359   3.207
  299    HZ2  TRP  40           HZ2      TRP  40  -7.129   4.702   5.343
  300    HZ3  TRP  40           HZ3      TRP  40  -2.995   5.755   5.199
  301    HH2  TRP  40           HH2      TRP  40  -5.199   5.922   6.246
  302    H    VAL  41           H        VAL  41  -0.836   2.492   1.549
  303    HA   VAL  41           HA       VAL  41  -0.817   2.828   4.464
  304    HB   VAL  41           HB       VAL  41   0.610   0.852   4.000
  305   1HG1  VAL  41          1HG1      VAL  41   2.747   1.114   2.829
  306   2HG1  VAL  41          2HG1      VAL  41   2.318   2.774   2.414
  307   3HG1  VAL  41          3HG1      VAL  41   1.380   1.433   1.757
  308   1HG2  VAL  41          1HG2      VAL  41   2.107   3.293   4.964
  309   2HG2  VAL  41          2HG2      VAL  41   2.588   1.620   5.255
  310   3HG2  VAL  41          3HG2      VAL  41   1.084   2.237   5.939
  311    H    GLU  42           H        GLU  42  -0.030   4.811   5.121
  312    HA   GLU  42           HA       GLU  42   0.579   6.704   2.951
  313   1HB   GLU  42          2HB       GLU  42  -0.037   8.465   4.519
  314   2HB   GLU  42          1HB       GLU  42  -1.309   7.252   4.434
  315   1HG   GLU  42          2HG       GLU  42  -0.637   6.310   6.540
  316   2HG   GLU  42          1HG       GLU  42   0.781   7.355   6.604
  317    H    CYS  43           H        CYS  43   2.381   8.047   2.947
  318    HA   CYS  43           HA       CYS  43   4.508   7.434   4.884
  319   1HB   CYS  43          2HB       CYS  43   4.567   9.035   2.317
  320   2HB   CYS  43          1HB       CYS  43   5.960   8.775   3.364
  321    HG   CYS  43           HG       CYS  43   4.720   5.845   2.722
  322    HA   PRO  44           HA       PRO  44   3.111  11.047   7.112
  323   1HB   PRO  44          2HB       PRO  44   4.873  10.952   9.159
  324   2HB   PRO  44          1HB       PRO  44   3.557   9.783   8.988
  325   1HG   PRO  44          2HG       PRO  44   6.447   9.499   8.224
  326   2HG   PRO  44          1HG       PRO  44   5.404   8.349   9.083
  327   1HD   PRO  44          2HD       PRO  44   5.934   8.141   6.426
  328   2HD   PRO  44          1HD       PRO  44   4.395   7.616   7.139
  329    H    TYR  45           H        TYR  45   5.367  11.260   4.947
  330    HA   TYR  45           HA       TYR  45   6.530  13.767   5.991
  331   1HB   TYR  45          2HB       TYR  45   7.642  12.033   3.770
  332   2HB   TYR  45          1HB       TYR  45   8.389  13.474   4.450
  333    HD1  TYR  45           HD1      TYR  45   9.247  13.412   6.809
  334    HD2  TYR  45           HD2      TYR  45   7.917   9.904   4.792
  335    HE1  TYR  45           HE1      TYR  45  10.453  12.021   8.437
  336    HE2  TYR  45           HE2      TYR  45   9.126   8.506   6.413
  337    HH   TYR  45           HH       TYR  45  10.396   9.741   9.321
  338    H    CYS  46           H        CYS  46   6.475  12.714   2.615
  339    HA   CYS  46           HA       CYS  46   4.353  14.519   1.839
  340   1HB   CYS  46          2HB       CYS  46   7.246  15.244   1.361
  341   2HB   CYS  46          1HB       CYS  46   5.963  15.853   0.324
  342    HG   CYS  46           HG       CYS  46   4.692  17.326   2.270
  343    H    ASP  47           H        ASP  47   5.419  11.693   1.479
  344    HA   ASP  47           HA       ASP  47   6.225  11.525  -1.282
  345   1HB   ASP  47          2HB       ASP  47   5.586   9.265   0.620
  346   2HB   ASP  47          1HB       ASP  47   6.555   9.180  -0.848
  347    H    CYS  48           H        CYS  48   3.936   9.162   0.006
  348    HA   CYS  48           HA       CYS  48   1.712  10.087  -1.567
  349   1HB   CYS  48          2HB       CYS  48   3.239   7.638  -2.499
  350   2HB   CYS  48          1HB       CYS  48   1.644   8.098  -3.079
  351    HG   CYS  48           HG       CYS  48   3.117  10.748  -3.721
  352    H    LYS  49           H        LYS  49  -0.069   8.424  -1.625
  353    HA   LYS  49           HA       LYS  49  -0.104   6.690   0.748
  354   1HB   LYS  49          2HB       LYS  49  -2.012   8.279   0.382
  355   2HB   LYS  49          1HB       LYS  49  -2.377   7.442  -1.121
  356   1HG   LYS  49          2HG       LYS  49  -2.587   5.333   0.333
  357   2HG   LYS  49          1HG       LYS  49  -2.648   6.446   1.698
  358   1HD   LYS  49          2HD       LYS  49  -4.564   6.299  -0.633
  359   2HD   LYS  49          1HD       LYS  49  -4.894   5.872   1.043
  360   1HE   LYS  49          2HE       LYS  49  -5.855   7.952   0.932
  361   2HE   LYS  49          1HE       LYS  49  -4.241   8.381   1.486
  362   1HZ   LYS  49          1HZ       LYS  49  -3.632   9.010  -0.724
  363   2HZ   LYS  49          2HZ       LYS  49  -5.094   9.775  -0.357
  364   3HZ   LYS  49          3HZ       LYS  49  -5.085   8.422  -1.358
  365    H    TYR  50           H        TYR  50   0.736   4.688   0.260
  366    HA   TYR  50           HA       TYR  50   0.693   3.735  -2.474
  367   1HB   TYR  50          2HB       TYR  50   1.888   2.566   0.046
  368   2HB   TYR  50          1HB       TYR  50   2.058   1.850  -1.555
  369    HD1  TYR  50           HD2      TYR  50   3.237   3.186  -3.357
  370    HD2  TYR  50           HD1      TYR  50   3.324   4.334   0.742
  371    HE1  TYR  50           HE2      TYR  50   5.192   4.605  -3.802
  372    HE2  TYR  50           HE1      TYR  50   5.281   5.757   0.301
  373    HH   TYR  50           HH       TYR  50   7.046   6.041  -1.255
  374    H    VAL  51           H        VAL  51  -1.221   2.980  -3.129
  375    HA   VAL  51           HA       VAL  51  -2.800   1.193  -1.432
  376    HB   VAL  51           HB       VAL  51  -3.414   2.369  -4.157
  377   1HG1  VAL  51          1HG1      VAL  51  -4.575   0.243  -3.847
  378   2HG1  VAL  51          2HG1      VAL  51  -5.714   1.587  -3.782
  379   3HG1  VAL  51          3HG1      VAL  51  -5.201   0.793  -2.292
  380   1HG2  VAL  51          1HG2      VAL  51  -4.994   3.803  -2.939
  381   2HG2  VAL  51          2HG2      VAL  51  -3.335   4.061  -2.400
  382   3HG2  VAL  51          3HG2      VAL  51  -4.446   3.112  -1.413
  383    H    LEU  52           H        LEU  52  -2.631  -0.961  -1.584
  384    HA   LEU  52           HA       LEU  52  -1.167  -2.252  -3.710
  385   1HB   LEU  52          2HB       LEU  52  -0.986  -3.128  -1.468
  386   2HB   LEU  52          1HB       LEU  52  -2.723  -3.344  -1.359
  387    HG   LEU  52           HG       LEU  52  -2.626  -5.108  -3.071
  388   1HD1  LEU  52          1HD1      LEU  52   0.361  -4.657  -2.984
  389   2HD1  LEU  52          2HD1      LEU  52  -0.710  -4.333  -4.349
  390   3HD1  LEU  52          3HD1      LEU  52  -0.450  -5.991  -3.805
  391   1HD2  LEU  52          1HD2      LEU  52  -0.702  -5.539  -0.779
  392   2HD2  LEU  52          2HD2      LEU  52  -1.490  -6.806  -1.721
  393   3HD2  LEU  52          3HD2      LEU  52  -2.455  -5.724  -0.718
  394    H    LYS  53           H        LYS  53  -2.005  -2.849  -5.617
  395    HA   LYS  53           HA       LYS  53  -4.748  -2.563  -6.220
  396   1HB   LYS  53          2HB       LYS  53  -2.961  -2.304  -7.903
  397   2HB   LYS  53          1HB       LYS  53  -2.646  -4.036  -7.828
  398   1HG   LYS  53          2HG       LYS  53  -4.738  -4.565  -8.782
  399   2HG   LYS  53          1HG       LYS  53  -5.356  -2.935  -8.527
  400   1HD   LYS  53          2HD       LYS  53  -3.606  -2.131 -10.162
  401   2HD   LYS  53          1HD       LYS  53  -3.286  -3.831 -10.532
  402   1HE   LYS  53          2HE       LYS  53  -4.876  -2.794 -12.122
  403   2HE   LYS  53          1HE       LYS  53  -5.583  -4.148 -11.240
  404   1HZ   LYS  53          1HZ       LYS  53  -7.147  -2.360 -11.296
  405   2HZ   LYS  53          2HZ       LYS  53  -6.012  -1.259 -10.706
  406   3HZ   LYS  53          3HZ       LYS  53  -6.584  -2.495  -9.707
  407    H    GLY  54           H        GLY  54  -6.350  -4.094  -6.747
  408   1HA   GLY  54          2HA       GLY  54  -7.428  -6.161  -6.642
  409   2HA   GLY  54          1HA       GLY  54  -5.931  -6.895  -6.088
  410    H    SER  55           H        SER  55  -6.911  -4.073  -4.421
  411    HA   SER  55           HA       SER  55  -7.935  -5.688  -2.163
  412   1HB   SER  55          2HB       SER  55  -6.373  -3.089  -2.010
  413   2HB   SER  55          1HB       SER  55  -6.920  -4.057  -0.643
  414    HG   SER  55           HG       SER  55  -4.739  -4.375  -2.269
  415    H    LYS  56           H        LYS  56  -9.217  -4.220  -0.564
  416    HA   LYS  56           HA       LYS  56 -11.553  -3.374  -1.824
  417   1HB   LYS  56          2HB       LYS  56 -12.221  -2.438   0.346
  418   2HB   LYS  56          1HB       LYS  56 -11.493  -4.028   0.524
  419   1HG   LYS  56          2HG       LYS  56  -9.418  -3.041   1.291
  420   2HG   LYS  56          1HG       LYS  56 -10.052  -1.420   1.005
  421   1HD   LYS  56          2HD       LYS  56 -10.173  -1.956   3.367
  422   2HD   LYS  56          1HD       LYS  56 -11.799  -1.830   2.695
  423   1HE   LYS  56          2HE       LYS  56 -11.871  -4.300   2.510
  424   2HE   LYS  56          1HE       LYS  56 -10.282  -4.377   3.273
  425   1HZ   LYS  56          1HZ       LYS  56 -11.226  -3.303   5.229
  426   2HZ   LYS  56          2HZ       LYS  56 -12.033  -4.747   4.881
  427   3HZ   LYS  56          3HZ       LYS  56 -12.749  -3.266   4.496
  428    H    ALA  57           H        ALA  57  -8.685  -1.515  -1.056
  429    HA   ALA  57           HA       ALA  57  -9.868   1.060  -1.491
  430   1HB   ALA  57          1HB       ALA  57  -7.897   0.741  -0.057
  431   2HB   ALA  57          2HB       ALA  57  -7.603   1.921  -1.334
  432   3HB   ALA  57          3HB       ALA  57  -6.949   0.290  -1.474
  433    H    ASP  58           H        ASP  58  -8.381  -1.331  -3.554
  434    HA   ASP  58           HA       ASP  58  -7.903   0.463  -5.760
  435   1HB   ASP  58          2HB       ASP  58  -6.507  -1.531  -5.457
  436   2HB   ASP  58          1HB       ASP  58  -7.917  -2.569  -5.631
  437    H    ALA  59           H        ALA  59 -10.131   1.341  -5.636
  438    HA   ALA  59           HA       ALA  59 -11.817   0.062  -7.633
  439   1HB   ALA  59          1HB       ALA  59 -13.832   0.048  -6.271
  440   2HB   ALA  59          2HB       ALA  59 -12.922   0.656  -4.887
  441   3HB   ALA  59          3HB       ALA  59 -12.582  -0.951  -5.530
  442    H    LEU  60           H        LEU  60 -10.806   2.894  -5.937
  443    HA   LEU  60           HA       LEU  60 -12.896   4.663  -6.528
  444   1HB   LEU  60          2HB       LEU  60  -9.949   5.154  -6.101
  445   2HB   LEU  60          1HB       LEU  60 -11.097   6.455  -6.340
  446    HG   LEU  60           HG       LEU  60 -12.328   5.658  -4.302
  447   1HD1  LEU  60          1HD1      LEU  60  -9.913   3.898  -3.924
  448   2HD1  LEU  60          2HD1      LEU  60 -11.557   3.355  -4.257
  449   3HD1  LEU  60          3HD1      LEU  60 -11.191   4.175  -2.741
  450   1HD2  LEU  60          1HD2      LEU  60  -9.444   6.456  -3.912
  451   2HD2  LEU  60          2HD2      LEU  60 -10.718   6.582  -2.698
  452   3HD2  LEU  60          3HD2      LEU  60 -10.810   7.545  -4.173
  453    H    GLU  61           H        GLU  61  -9.718   4.812  -8.178
  454    HA   GLU  61           HA       GLU  61 -11.072   5.855 -10.560
  455   1HB   GLU  61          2HB       GLU  61  -8.116   5.721  -9.907
  456   2HB   GLU  61          1HB       GLU  61  -8.827   6.545 -11.288
  457   1HG   GLU  61          2HG       GLU  61  -9.314   7.260  -8.397
  458   2HG   GLU  61          1HG       GLU  61  -8.174   8.074  -9.463
  459    H    HIS  62           H        HIS  62 -11.586   4.465 -12.148
  460    HA   HIS  62           HA       HIS  62  -9.701   2.646 -13.261
  461   1HB   HIS  62          2HB       HIS  62 -10.836   0.524 -12.788
  462   2HB   HIS  62          1HB       HIS  62 -10.315   1.292 -11.293
  463    HD1  HIS  62           HD1      HIS  62 -12.921  -0.685 -12.242
  464    HD2  HIS  62           HD2      HIS  62 -12.852   3.103 -10.534
  465    HE1  HIS  62           HE1      HIS  62 -15.153  -0.408 -11.137
  466    HE2  HIS  62           HE2      HIS  62 -14.994   1.786  -9.920
  467    H    HIS  63           H        HIS  63 -10.186   2.283 -15.354
  468    HA   HIS  63           HA       HIS  63 -12.985   2.317 -16.231
  469   1HB   HIS  63          2HB       HIS  63 -12.252   3.647 -18.289
  470   2HB   HIS  63          1HB       HIS  63 -12.410   4.536 -16.783
  471    HD1  HIS  63           HD1      HIS  63 -10.527   6.086 -16.337
  472    HD2  HIS  63           HD2      HIS  63  -9.366   2.901 -18.744
  473    HE1  HIS  63           HE1      HIS  63  -8.143   6.547 -16.962
  474    HE2  HIS  63           HE2      HIS  63  -7.543   4.730 -18.590
  475    H    HIS  64           H        HIS  64 -12.860   1.802 -18.831
  476    HA   HIS  64           HA       HIS  64 -12.395  -0.912 -18.946
  477   1HB   HIS  64          2HB       HIS  64 -12.408   1.030 -21.265
  478   2HB   HIS  64          1HB       HIS  64 -12.590  -0.715 -21.405
  479    HD1  HIS  64           HD1      HIS  64 -14.651   1.934 -21.826
  480    HD2  HIS  64           HD2      HIS  64 -14.880  -1.279 -19.202
  481    HE1  HIS  64           HE1      HIS  64 -17.069   1.759 -21.188
  482    HE2  HIS  64           HE2      HIS  64 -17.143  -0.063 -19.456
  483    H    HIS  65           H        HIS  65 -10.561  -1.895 -18.554
  484    HA   HIS  65           HA       HIS  65  -8.476  -2.717 -18.779
  485   1HB   HIS  65          2HB       HIS  65  -8.389  -1.201 -21.402
  486   2HB   HIS  65          1HB       HIS  65  -7.326  -2.525 -20.926
  487    HD1  HIS  65           HD1      HIS  65 -10.369  -1.851 -22.732
  488    HD2  HIS  65           HD2      HIS  65  -8.875  -5.047 -20.536
  489    HE1  HIS  65           HE1      HIS  65 -11.741  -3.839 -23.418
  490    HE2  HIS  65           HE2      HIS  65 -10.792  -5.772 -22.117
  491    H    HIS  66           H        HIS  66  -7.564   0.215 -20.553
  492    HA   HIS  66           HA       HIS  66  -6.325   1.378 -18.181
  493   1HB   HIS  66          2HB       HIS  66  -4.723   0.337 -20.516
  494   2HB   HIS  66          1HB       HIS  66  -4.107   1.595 -19.452
  495    HD1  HIS  66           HD1      HIS  66  -3.818   0.897 -16.896
  496    HD2  HIS  66           HD2      HIS  66  -4.383  -2.224 -19.580
  497    HE1  HIS  66           HE1      HIS  66  -3.087  -1.172 -15.682
  498    HE2  HIS  66           HE2      HIS  66  -3.399  -3.042 -17.331
  499    H    HIS  67           H        HIS  67  -7.073   1.659 -21.623
  500    HA   HIS  67           HA       HIS  67  -6.057   4.137 -22.250
  501   1HB   HIS  67          2HB       HIS  67  -8.689   2.973 -23.178
  502   2HB   HIS  67          1HB       HIS  67  -7.859   4.322 -23.945
  503    HD1  HIS  67           HD1      HIS  67  -8.506   1.181 -24.895
  504    HD2  HIS  67           HD2      HIS  67  -4.853   3.038 -24.189
  505    HE1  HIS  67           HE1      HIS  67  -6.820  -0.128 -26.212
  506    HE2  HIS  67           HE2      HIS  67  -4.641   1.073 -25.862
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1 -14.533  23.395  -6.547
    2   2H    MET   1          2H        MET   1 -13.927  22.957  -5.029
    3   3H    MET   1          3H        MET   1 -15.364  22.276  -5.596
    4    HA   MET   1           HA       MET   1 -14.232  21.115  -7.328
    5   1HB   MET   1          2HB       MET   1 -11.784  21.212  -7.529
    6   2HB   MET   1          1HB       MET   1 -12.503  22.797  -7.775
    7   1HG   MET   1          2HG       MET   1 -11.884  23.461  -5.524
    8   2HG   MET   1          1HG       MET   1 -11.222  21.857  -5.214
    9   1HE   MET   1          1HE       MET   1  -9.424  24.879  -8.213
   10   2HE   MET   1          2HE       MET   1 -10.857  25.193  -7.237
   11   3HE   MET   1          3HE       MET   1 -10.920  24.007  -8.543
   12    H    THR   2           H        THR   2 -12.400  19.319  -6.901
   13    HA   THR   2           HA       THR   2 -12.908  18.114  -4.290
   14    HB   THR   2           HB       THR   2 -11.382  16.276  -5.216
   15    HG1  THR   2           HG1      THR   2 -11.521  16.671  -7.750
   16   1HG2  THR   2          1HG2      THR   2 -13.836  16.095  -5.311
   17   2HG2  THR   2          2HG2      THR   2 -13.088  15.382  -6.740
   18   3HG2  THR   2          3HG2      THR   2 -13.843  16.973  -6.841
   19    H    ILE   3           H        ILE   3 -10.812  17.037  -3.267
   20    HA   ILE   3           HA       ILE   3  -8.831  19.005  -2.699
   21    HB   ILE   3           HB       ILE   3  -7.570  17.164  -1.613
   22   1HG1  ILE   3          2HG1      ILE   3  -9.803  15.384  -2.655
   23   2HG1  ILE   3          1HG1      ILE   3  -8.139  15.366  -3.230
   24   1HG2  ILE   3          1HG2      ILE   3  -9.325  18.315  -0.369
   25   2HG2  ILE   3          2HG2      ILE   3  -9.252  16.615   0.098
   26   3HG2  ILE   3          3HG2      ILE   3 -10.527  17.179  -0.984
   27   1HD1  ILE   3          1HD1      ILE   3  -9.050  14.662  -0.442
   28   2HD1  ILE   3          2HD1      ILE   3  -7.386  14.630  -1.024
   29   3HD1  ILE   3          3HD1      ILE   3  -8.578  13.526  -1.705
   30    H    GLN   4           H        GLN   4  -9.239  16.611  -5.135
   31    HA   GLN   4           HA       GLN   4  -8.238  16.185  -7.095
   32   1HB   GLN   4          2HB       GLN   4  -6.795  18.797  -6.596
   33   2HB   GLN   4          1HB       GLN   4  -6.874  17.961  -8.141
   34   1HG   GLN   4          2HG       GLN   4  -9.327  18.233  -8.128
   35   2HG   GLN   4          1HG       GLN   4  -9.198  19.134  -6.622
   36   1HE2  GLN   4          1HE2      GLN   4  -6.714  20.471  -7.514
   37   2HE2  GLN   4          2HE2      GLN   4  -7.227  21.660  -8.656
   38    H    ALA   5           H        ALA   5  -6.574  15.902  -4.312
   39    HA   ALA   5           HA       ALA   5  -3.863  15.854  -4.966
   40   1HB   ALA   5          1HB       ALA   5  -3.572  14.501  -2.945
   41   2HB   ALA   5          2HB       ALA   5  -5.312  14.219  -2.884
   42   3HB   ALA   5          3HB       ALA   5  -4.675  15.850  -2.673
   43    HA   PRO   6           HA       PRO   6  -4.004  12.013  -7.388
   44   1HB   PRO   6          2HB       PRO   6  -2.138  12.656  -9.167
   45   2HB   PRO   6          1HB       PRO   6  -3.698  13.493  -9.181
   46   1HG   PRO   6          2HG       PRO   6  -1.053  14.419  -8.128
   47   2HG   PRO   6          1HG       PRO   6  -2.299  15.337  -8.993
   48   1HD   PRO   6          2HD       PRO   6  -1.934  15.264  -6.202
   49   2HD   PRO   6          1HD       PRO   6  -3.363  15.876  -7.052
   50    H    GLU   7           H        GLU   7  -2.474  12.359  -4.856
   51    HA   GLU   7           HA       GLU   7   0.128  11.159  -5.439
   52   1HB   GLU   7          2HB       GLU   7   0.544  11.568  -2.982
   53   2HB   GLU   7          1HB       GLU   7   0.256  13.006  -3.947
   54   1HG   GLU   7          2HG       GLU   7  -2.114  12.976  -3.166
   55   2HG   GLU   7          1HG       GLU   7  -1.684  11.652  -2.084
   56    H    THR   8           H        THR   8  -2.476   9.710  -5.605
   57    HA   THR   8           HA       THR   8  -2.154   7.577  -3.640
   58    HB   THR   8           HB       THR   8  -4.098   7.879  -5.952
   59    HG1  THR   8           HG1      THR   8  -5.595   8.193  -4.203
   60   1HG2  THR   8          1HG2      THR   8  -3.943   5.726  -3.830
   61   2HG2  THR   8          2HG2      THR   8  -3.695   5.508  -5.565
   62   3HG2  THR   8          3HG2      THR   8  -5.289   5.948  -4.948
   63    H    LYS   9           H        LYS   9  -0.827   5.887  -3.977
   64    HA   LYS   9           HA       LYS   9   0.263   5.496  -6.694
   65   1HB   LYS   9          2HB       LYS   9   1.858   6.287  -4.953
   66   2HB   LYS   9          1HB       LYS   9   1.528   4.833  -4.023
   67   1HG   LYS   9          2HG       LYS   9   3.582   4.499  -5.161
   68   2HG   LYS   9          1HG       LYS   9   2.375   3.494  -5.969
   69   1HD   LYS   9          2HD       LYS   9   2.146   5.163  -7.738
   70   2HD   LYS   9          1HD       LYS   9   3.292   6.221  -6.909
   71   1HE   LYS   9          2HE       LYS   9   5.019   4.442  -7.152
   72   2HE   LYS   9          1HE       LYS   9   3.865   3.506  -8.101
   73   1HZ   LYS   9          1HZ       LYS   9   3.811   5.253  -9.739
   74   2HZ   LYS   9          2HZ       LYS   9   5.415   4.778  -9.477
   75   3HZ   LYS   9          3HZ       LYS   9   4.842   6.216  -8.805
   76    H    ILE  10           H        ILE  10  -0.758   3.791  -7.617
   77    HA   ILE  10           HA       ILE  10  -1.639   1.526  -6.016
   78    HB   ILE  10           HB       ILE  10  -1.870   1.974  -9.004
   79   1HG1  ILE  10          2HG1      ILE  10  -3.888   2.397  -6.775
   80   2HG1  ILE  10          1HG1      ILE  10  -3.093   3.667  -7.697
   81   1HG2  ILE  10          1HG2      ILE  10  -1.983  -0.393  -8.440
   82   2HG2  ILE  10          2HG2      ILE  10  -3.576   0.194  -8.920
   83   3HG2  ILE  10          3HG2      ILE  10  -3.207  -0.063  -7.213
   84   1HD1  ILE  10          1HD1      ILE  10  -5.362   3.319  -8.466
   85   2HD1  ILE  10          2HD1      ILE  10  -5.014   1.624  -8.795
   86   3HD1  ILE  10          3HD1      ILE  10  -4.211   2.886  -9.731
   87    H    VAL  11           H        VAL  11   0.029   0.257  -5.384
   88    HA   VAL  11           HA       VAL  11   2.023  -0.609  -7.383
   89    HB   VAL  11           HB       VAL  11   3.395  -1.356  -5.481
   90   1HG1  VAL  11          1HG1      VAL  11   3.685   0.924  -6.307
   91   2HG1  VAL  11          2HG1      VAL  11   3.956   0.852  -4.568
   92   3HG1  VAL  11          3HG1      VAL  11   2.442   1.502  -5.195
   93   1HG2  VAL  11          1HG2      VAL  11   1.601  -1.937  -3.924
   94   2HG2  VAL  11          2HG2      VAL  11   1.184  -0.232  -3.751
   95   3HG2  VAL  11          3HG2      VAL  11   2.744  -0.821  -3.177
   96    H    ASP  12           H        ASP  12   2.747  -2.918  -7.243
   97    HA   ASP  12           HA       ASP  12   0.387  -4.639  -7.077
   98   1HB   ASP  12          2HB       ASP  12   1.862  -4.586  -9.120
   99   2HB   ASP  12          1HB       ASP  12   3.131  -5.328  -8.153
  100    H    LYS  13           H        LYS  13   3.522  -4.235  -5.536
  101    HA   LYS  13           HA       LYS  13   2.999  -6.596  -3.842
  102   1HB   LYS  13          2HB       LYS  13   5.596  -5.139  -4.396
  103   2HB   LYS  13          1HB       LYS  13   5.423  -6.505  -3.299
  104   1HG   LYS  13          2HG       LYS  13   4.702  -7.914  -5.174
  105   2HG   LYS  13          1HG       LYS  13   4.892  -6.544  -6.270
  106   1HD   LYS  13          2HD       LYS  13   7.291  -6.450  -5.718
  107   2HD   LYS  13          1HD       LYS  13   7.090  -7.837  -4.643
  108   1HE   LYS  13          2HE       LYS  13   6.568  -7.831  -7.620
  109   2HE   LYS  13          1HE       LYS  13   8.000  -8.490  -6.834
  110   1HZ   LYS  13          1HZ       LYS  13   6.670 -10.135  -5.751
  111   2HZ   LYS  13          2HZ       LYS  13   6.305 -10.174  -7.401
  112   3HZ   LYS  13          3HZ       LYS  13   5.236  -9.438  -6.317
  113    H    SER  14           H        SER  14   3.066  -6.455  -1.605
  114    HA   SER  14           HA       SER  14   2.046  -4.072  -0.492
  115   1HB   SER  14          2HB       SER  14   1.482  -6.220   0.477
  116   2HB   SER  14          1HB       SER  14   3.164  -6.524   0.890
  117    HG   SER  14           HG       SER  14   1.279  -5.146   2.257
  118    H    ARG  15           H        ARG  15   5.342  -5.398  -0.431
  119    HA   ARG  15           HA       ARG  15   6.319  -3.436   1.418
  120   1HB   ARG  15          2HB       ARG  15   7.558  -5.579  -0.241
  121   2HB   ARG  15          1HB       ARG  15   8.604  -4.271   0.294
  122   1HG   ARG  15          2HG       ARG  15   7.988  -4.729   2.622
  123   2HG   ARG  15          1HG       ARG  15   6.951  -6.051   2.084
  124   1HD   ARG  15          2HD       ARG  15   8.849  -7.254   1.216
  125   2HD   ARG  15          1HD       ARG  15   9.917  -5.894   1.551
  126    HE   ARG  15           HE       ARG  15   9.823  -6.407   3.838
  127   1HH1  ARG  15          1HH1      ARG  15   7.946  -8.611   1.961
  128   2HH1  ARG  15          2HH1      ARG  15   7.897  -9.797   3.217
  129   1HH2  ARG  15          1HH2      ARG  15   9.775  -7.954   5.427
  130   2HH2  ARG  15          2HH2      ARG  15   8.916  -9.429   5.153
  131    H    VAL  16           H        VAL  16   6.189  -1.354   0.863
  132    HA   VAL  16           HA       VAL  16   7.105  -0.495  -1.799
  133    HB   VAL  16           HB       VAL  16   5.745   1.143   0.362
  134   1HG1  VAL  16          1HG1      VAL  16   6.306   1.775  -2.538
  135   2HG1  VAL  16          2HG1      VAL  16   7.116   2.490  -1.143
  136   3HG1  VAL  16          3HG1      VAL  16   5.400   2.791  -1.420
  137   1HG2  VAL  16          1HG2      VAL  16   3.733   1.000  -1.063
  138   2HG2  VAL  16          2HG2      VAL  16   4.232  -0.579  -0.452
  139   3HG2  VAL  16          3HG2      VAL  16   4.577  -0.130  -2.123
  140    H    ALA  17           H        ALA  17   9.280  -0.259  -1.820
  141    HA   ALA  17           HA       ALA  17  10.762   0.680   0.474
  142   1HB   ALA  17          1HB       ALA  17  11.701  -1.013  -1.031
  143   2HB   ALA  17          2HB       ALA  17  12.727   0.419  -0.947
  144   3HB   ALA  17          3HB       ALA  17  11.693   0.155  -2.353
  145    H    CYS  18           H        CYS  18  10.379   2.795   0.965
  146    HA   CYS  18           HA       CYS  18  10.355   4.793  -1.186
  147   1HB   CYS  18          2HB       CYS  18   8.530   4.894   0.435
  148   2HB   CYS  18          1HB       CYS  18   9.683   5.056   1.754
  149    HG   CYS  18           HG       CYS  18   8.632   7.372  -0.470
  150    H    ASP  19           H        ASP  19  12.428   5.297  -1.754
  151    HA   ASP  19           HA       ASP  19  14.500   5.884   0.156
  152   1HB   ASP  19          2HB       ASP  19  14.281   6.535  -2.802
  153   2HB   ASP  19          1HB       ASP  19  15.737   6.732  -1.827
  154    H    GLY  20           H        GLY  20  12.745   7.951  -2.181
  155   1HA   GLY  20          2HA       GLY  20  11.751   9.863  -0.507
  156   2HA   GLY  20          1HA       GLY  20  13.416  10.365  -0.758
  157    H    GLY  21           H        GLY  21  11.508  12.081  -1.507
  158   1HA   GLY  21          2HA       GLY  21  11.345  11.843  -4.451
  159   2HA   GLY  21          1HA       GLY  21  10.353  12.907  -3.463
  160    H    GLU  22           H        GLU  22  11.320  14.789  -2.544
  161    HA   GLU  22           HA       GLU  22  13.731  15.744  -3.924
  162   1HB   GLU  22          2HB       GLU  22  11.681  17.199  -2.234
  163   2HB   GLU  22          1HB       GLU  22  13.081  17.962  -2.971
  164   1HG   GLU  22          2HG       GLU  22  10.861  16.590  -4.478
  165   2HG   GLU  22          1HG       GLU  22  11.008  18.330  -4.240
  166    H    GLY  23           H        GLY  23  15.226  17.131  -2.507
  167   1HA   GLY  23          2HA       GLY  23  16.572  15.702  -0.624
  168   2HA   GLY  23          1HA       GLY  23  16.550  17.455  -0.646
  169    H    ALA  24           H        ALA  24  13.963  18.024   0.158
  170    HA   ALA  24           HA       ALA  24  14.118  17.752   2.958
  171   1HB   ALA  24          1HB       ALA  24  11.701  18.506   1.313
  172   2HB   ALA  24          2HB       ALA  24  12.986  19.608   1.810
  173   3HB   ALA  24          3HB       ALA  24  11.957  18.850   3.025
  174    H    LEU  25           H        LEU  25  12.647  15.688   0.587
  175    HA   LEU  25           HA       LEU  25  11.235  14.157   2.679
  176   1HB   LEU  25          2HB       LEU  25  10.891  14.132  -0.325
  177   2HB   LEU  25          1HB       LEU  25  10.011  13.103   0.790
  178    HG   LEU  25           HG       LEU  25   9.841  16.120   0.655
  179   1HD1  LEU  25          1HD1      LEU  25   8.727  15.061  -1.217
  180   2HD1  LEU  25          2HD1      LEU  25   7.530  15.703  -0.091
  181   3HD1  LEU  25          3HD1      LEU  25   7.869  13.972  -0.128
  182   1HD2  LEU  25          1HD2      LEU  25   8.304  14.187   2.401
  183   2HD2  LEU  25          2HD2      LEU  25   8.079  15.936   2.320
  184   3HD2  LEU  25          3HD2      LEU  25   9.584  15.269   2.954
  185    H    GLY  26           H        GLY  26  14.194  14.100   1.727
  186   1HA   GLY  26          2HA       GLY  26  14.470  11.375   0.749
  187   2HA   GLY  26          1HA       GLY  26  15.774  12.500   1.096
  188    H    HIS  27           H        HIS  27  15.086   9.593   1.888
  189    HA   HIS  27           HA       HIS  27  16.148   9.788   4.576
  190   1HB   HIS  27          2HB       HIS  27  14.245   8.095   5.317
  191   2HB   HIS  27          1HB       HIS  27  13.998   9.836   5.408
  192    HD1  HIS  27           HD1      HIS  27  11.935  10.669   4.345
  193    HD2  HIS  27           HD2      HIS  27  13.087   6.994   2.786
  194    HE1  HIS  27           HE1      HIS  27  10.118  10.017   2.737
  195    HE2  HIS  27           HE2      HIS  27  10.932   7.891   1.679
  196    HA   PRO  28           HA       PRO  28  18.625   6.289   3.765
  197   1HB   PRO  28          2HB       PRO  28  17.118   4.920   5.976
  198   2HB   PRO  28          1HB       PRO  28  18.860   4.954   5.659
  199   1HG   PRO  28          2HG       PRO  28  17.795   6.554   7.502
  200   2HG   PRO  28          1HG       PRO  28  19.099   7.128   6.445
  201   1HD   PRO  28          2HD       PRO  28  16.209   7.824   6.427
  202   2HD   PRO  28          1HD       PRO  28  17.603   8.768   5.863
  203    H    ARG  29           H        ARG  29  15.575   4.712   4.807
  204    HA   ARG  29           HA       ARG  29  14.728   3.841   2.364
  205   1HB   ARG  29          2HB       ARG  29  16.966   2.350   3.342
  206   2HB   ARG  29          1HB       ARG  29  15.550   1.316   3.347
  207   1HG   ARG  29          2HG       ARG  29  16.735   2.808   1.025
  208   2HG   ARG  29          1HG       ARG  29  16.615   1.073   1.263
  209   1HD   ARG  29          2HD       ARG  29  14.225   1.152   1.088
  210   2HD   ARG  29          1HD       ARG  29  14.255   2.901   0.980
  211    HE   ARG  29           HE       ARG  29  14.726   2.735  -1.214
  212   1HH1  ARG  29          1HH1      ARG  29  15.556  -0.314   0.178
  213   2HH1  ARG  29          2HH1      ARG  29  15.924  -1.010  -1.360
  214   1HH2  ARG  29          1HH2      ARG  29  15.183   1.824  -3.139
  215   2HH2  ARG  29          2HH2      ARG  29  15.703   0.177  -3.213
  216    H    VAL  30           H        VAL  30  12.855   4.334   3.204
  217    HA   VAL  30           HA       VAL  30  11.811   2.961   5.572
  218    HB   VAL  30           HB       VAL  30  10.482   5.110   3.898
  219   1HG1  VAL  30          1HG1      VAL  30   8.860   3.731   5.102
  220   2HG1  VAL  30          2HG1      VAL  30   8.947   5.344   5.810
  221   3HG1  VAL  30          3HG1      VAL  30   9.741   3.986   6.609
  222   1HG2  VAL  30          1HG2      VAL  30  11.069   6.640   5.726
  223   2HG2  VAL  30          2HG2      VAL  30  12.510   5.942   4.984
  224   3HG2  VAL  30          3HG2      VAL  30  11.937   5.336   6.538
  225    H    TRP  31           H        TRP  31  11.146   0.942   5.122
  226    HA   TRP  31           HA       TRP  31   9.677   0.350   2.668
  227   1HB   TRP  31          2HB       TRP  31  10.723  -1.418   4.892
  228   2HB   TRP  31          1HB       TRP  31   9.782  -2.025   3.534
  229    HD1  TRP  31           HD1      TRP  31  13.127  -0.150   4.139
  230    HE1  TRP  31           HE1      TRP  31  14.775  -0.875   2.302
  231    HE3  TRP  31           HE3      TRP  31  10.013  -3.119   1.382
  232    HZ2  TRP  31           HZ2      TRP  31  14.758  -2.491  -0.010
  233    HZ3  TRP  31           HZ3      TRP  31  10.910  -4.221  -0.629
  234    HH2  TRP  31           HH2      TRP  31  13.231  -3.912  -1.306
  235    H    LEU  32           H        LEU  32   7.546   0.777   2.694
  236    HA   LEU  32           HA       LEU  32   6.010   0.488   5.165
  237   1HB   LEU  32          2HB       LEU  32   5.191   1.480   2.424
  238   2HB   LEU  32          1HB       LEU  32   4.121   1.400   3.812
  239    HG   LEU  32           HG       LEU  32   5.799   2.961   4.982
  240   1HD1  LEU  32          1HD1      LEU  32   7.647   2.705   3.412
  241   2HD1  LEU  32          2HD1      LEU  32   7.132   4.389   3.520
  242   3HD1  LEU  32          3HD1      LEU  32   6.665   3.411   2.127
  243   1HD2  LEU  32          1HD2      LEU  32   4.774   4.952   3.972
  244   2HD2  LEU  32          2HD2      LEU  32   3.591   3.682   4.279
  245   3HD2  LEU  32          3HD2      LEU  32   4.178   3.961   2.639
  246    H    GLN  33           H        GLN  33   4.638  -1.147   5.595
  247    HA   GLN  33           HA       GLN  33   4.274  -3.257   3.550
  248   1HB   GLN  33          2HB       GLN  33   5.306  -3.758   5.843
  249   2HB   GLN  33          1HB       GLN  33   3.715  -3.450   6.522
  250   1HG   GLN  33          2HG       GLN  33   3.799  -5.763   6.308
  251   2HG   GLN  33          1HG       GLN  33   2.874  -5.252   4.899
  252   1HE2  GLN  33          1HE2      GLN  33   3.834  -5.413   2.849
  253   2HE2  GLN  33          2HE2      GLN  33   5.239  -6.380   2.576
  254    H    ILE  34           H        ILE  34   2.424  -2.894   2.430
  255    HA   ILE  34           HA       ILE  34   0.198  -1.439   3.380
  256    HB   ILE  34           HB       ILE  34   0.327  -3.422   1.096
  257   1HG1  ILE  34          2HG1      ILE  34   0.501  -0.392   1.102
  258   2HG1  ILE  34          1HG1      ILE  34   1.862  -1.485   0.880
  259   1HG2  ILE  34          1HG2      ILE  34  -1.712  -2.297   0.270
  260   2HG2  ILE  34          2HG2      ILE  34  -1.782  -1.357   1.758
  261   3HG2  ILE  34          3HG2      ILE  34  -1.977  -3.110   1.810
  262   1HD1  ILE  34          1HD1      ILE  34   1.094  -0.555  -1.232
  263   2HD1  ILE  34          2HD1      ILE  34  -0.511  -1.234  -0.959
  264   3HD1  ILE  34          3HD1      ILE  34   0.874  -2.304  -1.189
  265    HA   PRO  35           HA       PRO  35  -1.564  -4.805   5.817
  266   1HB   PRO  35          2HB       PRO  35  -3.382  -3.357   7.153
  267   2HB   PRO  35          1HB       PRO  35  -1.653  -3.200   7.491
  268   1HG   PRO  35          2HG       PRO  35  -3.420  -1.445   5.821
  269   2HG   PRO  35          1HG       PRO  35  -2.205  -0.977   7.022
  270   1HD   PRO  35          2HD       PRO  35  -1.744  -0.998   4.318
  271   2HD   PRO  35          1HD       PRO  35  -0.467  -1.217   5.532
  272    H    GLU  36           H        GLU  36  -3.013  -6.258   5.099
  273    HA   GLU  36           HA       GLU  36  -4.844  -5.798   3.008
  274   1HB   GLU  36          2HB       GLU  36  -5.740  -8.054   3.599
  275   2HB   GLU  36          1HB       GLU  36  -3.992  -8.011   3.412
  276   1HG   GLU  36          2HG       GLU  36  -3.725  -7.945   5.845
  277   2HG   GLU  36          1HG       GLU  36  -5.478  -7.982   6.037
  278    H    ASP  37           H        ASP  37  -5.131  -5.337   6.405
  279    HA   ASP  37           HA       ASP  37  -7.921  -5.441   6.742
  280   1HB   ASP  37          2HB       ASP  37  -6.348  -5.461   8.614
  281   2HB   ASP  37          1HB       ASP  37  -5.819  -3.830   8.217
  282    H    THR  38           H        THR  38  -5.811  -2.851   5.592
  283    HA   THR  38           HA       THR  38  -8.132  -1.026   5.366
  284    HB   THR  38           HB       THR  38  -6.569   0.811   5.169
  285    HG1  THR  38           HG1      THR  38  -4.339   0.469   5.100
  286   1HG2  THR  38          1HG2      THR  38  -5.449   0.727   7.333
  287   2HG2  THR  38          2HG2      THR  38  -5.653  -1.025   7.388
  288   3HG2  THR  38          3HG2      THR  38  -7.065   0.030   7.456
  289    H    GLY  39           H        GLY  39  -5.251  -2.068   3.529
  290   1HA   GLY  39          2HA       GLY  39  -5.400  -2.723   1.206
  291   2HA   GLY  39          1HA       GLY  39  -6.750  -1.614   1.019
  292    H    TRP  40           H        TRP  40  -4.536  -0.070   2.894
  293    HA   TRP  40           HA       TRP  40  -2.770   0.910   0.814
  294   1HB   TRP  40          2HB       TRP  40  -3.517   3.279   1.056
  295   2HB   TRP  40          1HB       TRP  40  -4.746   2.247   0.333
  296    HD1  TRP  40           HD1      TRP  40  -7.020   1.954   1.631
  297    HE1  TRP  40           HE1      TRP  40  -8.036   3.084   3.708
  298    HE3  TRP  40           HE3      TRP  40  -2.844   4.324   3.402
  299    HZ2  TRP  40           HZ2      TRP  40  -7.184   4.739   5.823
  300    HZ3  TRP  40           HZ3      TRP  40  -3.030   5.658   5.460
  301    HH2  TRP  40           HH2      TRP  40  -5.158   5.863   6.646
  302    H    VAL  41           H        VAL  41  -1.165   2.453   1.638
  303    HA   VAL  41           HA       VAL  41  -1.157   3.035   4.487
  304    HB   VAL  41           HB       VAL  41   0.019   0.861   4.384
  305   1HG1  VAL  41          1HG1      VAL  41   2.137   0.602   3.235
  306   2HG1  VAL  41          2HG1      VAL  41   2.052   2.261   2.644
  307   3HG1  VAL  41          3HG1      VAL  41   0.886   1.070   2.080
  308   1HG2  VAL  41          1HG2      VAL  41   1.849   3.185   5.006
  309   2HG2  VAL  41          2HG2      VAL  41   2.049   1.532   5.586
  310   3HG2  VAL  41          3HG2      VAL  41   0.655   2.483   6.100
  311    H    GLU  42           H        GLU  42  -0.418   5.083   4.801
  312    HA   GLU  42           HA       GLU  42   0.890   6.411   2.526
  313   1HB   GLU  42          2HB       GLU  42   0.176   8.528   3.562
  314   2HB   GLU  42          1HB       GLU  42  -1.178   7.456   3.238
  315   1HG   GLU  42          2HG       GLU  42  -1.204   6.796   5.607
  316   2HG   GLU  42          1HG       GLU  42   0.121   7.920   5.920
  317    H    CYS  43           H        CYS  43   2.702   7.781   2.840
  318    HA   CYS  43           HA       CYS  43   4.446   6.842   5.009
  319   1HB   CYS  43          2HB       CYS  43   5.252   6.664   2.673
  320   2HB   CYS  43          1HB       CYS  43   5.145   8.413   2.521
  321    HG   CYS  43           HG       CYS  43   7.580   6.566   3.785
  322    HA   PRO  44           HA       PRO  44   3.601  10.877   7.001
  323   1HB   PRO  44          2HB       PRO  44   5.529   9.692   8.949
  324   2HB   PRO  44          1HB       PRO  44   3.949  10.432   9.236
  325   1HG   PRO  44          2HG       PRO  44   4.238   7.792   9.377
  326   2HG   PRO  44          1HG       PRO  44   2.788   8.503   8.642
  327   1HD   PRO  44          2HD       PRO  44   5.188   7.289   7.311
  328   2HD   PRO  44          1HD       PRO  44   3.467   7.139   6.892
  329    H    TYR  45           H        TYR  45   6.525   9.470   5.856
  330    HA   TYR  45           HA       TYR  45   8.072  11.930   6.346
  331   1HB   TYR  45          2HB       TYR  45   9.132   9.275   5.357
  332   2HB   TYR  45          1HB       TYR  45  10.052  10.619   6.028
  333    HD1  TYR  45           HD2      TYR  45   9.516  11.248   8.512
  334    HD2  TYR  45           HD1      TYR  45   8.494   7.511   6.742
  335    HE1  TYR  45           HE2      TYR  45   9.332  10.243  10.747
  336    HE2  TYR  45           HE1      TYR  45   8.308   6.500   8.975
  337    HH   TYR  45           HH       TYR  45   8.167   8.320  11.811
  338    H    CYS  46           H        CYS  46   6.178  10.669   3.955
  339    HA   CYS  46           HA       CYS  46   7.554  12.245   1.892
  340   1HB   CYS  46          2HB       CYS  46   8.301   9.909   1.589
  341   2HB   CYS  46          1HB       CYS  46   6.625   9.400   1.433
  342    HG   CYS  46           HG       CYS  46   6.413  11.326  -0.850
  343    H    ASP  47           H        ASP  47   4.754  11.568   3.475
  344    HA   ASP  47           HA       ASP  47   2.641  12.306   3.315
  345   1HB   ASP  47          2HB       ASP  47   3.560  13.677   0.785
  346   2HB   ASP  47          1HB       ASP  47   2.025  13.966   1.596
  347    H    CYS  48           H        CYS  48   3.865  10.915   0.287
  348    HA   CYS  48           HA       CYS  48   1.421  10.568  -1.020
  349   1HB   CYS  48          2HB       CYS  48   3.960   8.944  -1.293
  350   2HB   CYS  48          1HB       CYS  48   2.610   8.901  -2.423
  351    HG   CYS  48           HG       CYS  48   3.934  10.549  -3.910
  352    H    LYS  49           H        LYS  49   0.017   8.844  -1.300
  353    HA   LYS  49           HA       LYS  49  -0.028   6.899   0.920
  354   1HB   LYS  49          2HB       LYS  49  -1.916   8.575   0.675
  355   2HB   LYS  49          1HB       LYS  49  -2.350   7.761  -0.820
  356   1HG   LYS  49          2HG       LYS  49  -2.647   5.655   0.490
  357   2HG   LYS  49          1HG       LYS  49  -2.370   6.593   1.959
  358   1HD   LYS  49          2HD       LYS  49  -4.624   6.933  -0.030
  359   2HD   LYS  49          1HD       LYS  49  -4.749   6.348   1.629
  360   1HE   LYS  49          2HE       LYS  49  -3.933   9.135   0.780
  361   2HE   LYS  49          1HE       LYS  49  -5.499   8.675   1.446
  362   1HZ   LYS  49          1HZ       LYS  49  -2.893   8.493   2.860
  363   2HZ   LYS  49          2HZ       LYS  49  -4.394   8.056   3.508
  364   3HZ   LYS  49          3HZ       LYS  49  -4.077   9.667   3.117
  365    H    TYR  50           H        TYR  50   0.265   4.777   0.444
  366    HA   TYR  50           HA       TYR  50   0.390   4.039  -2.398
  367   1HB   TYR  50          2HB       TYR  50   1.515   2.550  -0.016
  368   2HB   TYR  50          1HB       TYR  50   1.847   2.229  -1.714
  369    HD1  TYR  50           HD2      TYR  50   3.144   3.955  -3.051
  370    HD2  TYR  50           HD1      TYR  50   2.768   4.162   1.186
  371    HE1  TYR  50           HE2      TYR  50   5.071   5.482  -2.958
  372    HE2  TYR  50           HE1      TYR  50   4.691   5.685   1.287
  373    HH   TYR  50           HH       TYR  50   6.631   6.294  -0.019
  374    H    VAL  51           H        VAL  51  -1.355   3.047  -3.189
  375    HA   VAL  51           HA       VAL  51  -2.983   1.294  -1.477
  376    HB   VAL  51           HB       VAL  51  -3.531   2.422  -4.237
  377   1HG1  VAL  51          1HG1      VAL  51  -4.592   0.242  -4.021
  378   2HG1  VAL  51          2HG1      VAL  51  -5.808   1.518  -3.972
  379   3HG1  VAL  51          3HG1      VAL  51  -5.309   0.717  -2.480
  380   1HG2  VAL  51          1HG2      VAL  51  -5.246   3.753  -3.087
  381   2HG2  VAL  51          2HG2      VAL  51  -3.635   4.094  -2.459
  382   3HG2  VAL  51          3HG2      VAL  51  -4.741   3.070  -1.542
  383    H    LEU  52           H        LEU  52  -3.389  -0.876  -1.984
  384    HA   LEU  52           HA       LEU  52  -1.397  -2.140  -3.725
  385   1HB   LEU  52          2HB       LEU  52  -1.684  -2.946  -1.412
  386   2HB   LEU  52          1HB       LEU  52  -3.348  -3.358  -1.767
  387    HG   LEU  52           HG       LEU  52  -2.562  -5.018  -3.438
  388   1HD1  LEU  52          1HD1      LEU  52   0.182  -4.305  -2.399
  389   2HD1  LEU  52          2HD1      LEU  52  -0.434  -4.021  -4.029
  390   3HD1  LEU  52          3HD1      LEU  52  -0.197  -5.670  -3.453
  391   1HD2  LEU  52          1HD2      LEU  52  -1.385  -5.414  -0.684
  392   2HD2  LEU  52          2HD2      LEU  52  -1.798  -6.679  -1.842
  393   3HD2  LEU  52          3HD2      LEU  52  -3.070  -5.690  -1.126
  394    H    LYS  53           H        LYS  53  -1.871  -2.892  -5.692
  395    HA   LYS  53           HA       LYS  53  -4.387  -2.651  -6.927
  396   1HB   LYS  53          2HB       LYS  53  -2.215  -2.751  -8.143
  397   2HB   LYS  53          1HB       LYS  53  -2.104  -4.463  -7.751
  398   1HG   LYS  53          2HG       LYS  53  -4.516  -4.464  -8.921
  399   2HG   LYS  53          1HG       LYS  53  -3.818  -3.068  -9.735
  400   1HD   LYS  53          2HD       LYS  53  -3.276  -4.843 -11.145
  401   2HD   LYS  53          1HD       LYS  53  -1.801  -4.614 -10.205
  402   1HE   LYS  53          2HE       LYS  53  -3.942  -6.675  -9.636
  403   2HE   LYS  53          1HE       LYS  53  -2.414  -6.995 -10.453
  404   1HZ   LYS  53          1HZ       LYS  53  -1.279  -6.246  -8.401
  405   2HZ   LYS  53          2HZ       LYS  53  -2.211  -7.635  -8.185
  406   3HZ   LYS  53          3HZ       LYS  53  -2.783  -6.144  -7.630
  407    H    GLY  54           H        GLY  54  -6.158  -3.895  -6.809
  408   1HA   GLY  54          2HA       GLY  54  -7.404  -5.878  -6.805
  409   2HA   GLY  54          1HA       GLY  54  -5.951  -6.776  -6.408
  410    H    SER  55           H        SER  55  -6.231  -4.118  -4.368
  411    HA   SER  55           HA       SER  55  -7.314  -5.822  -2.227
  412   1HB   SER  55          2HB       SER  55  -5.091  -4.822  -1.833
  413   2HB   SER  55          1HB       SER  55  -5.784  -3.213  -2.019
  414    HG   SER  55           HG       SER  55  -6.054  -5.050   0.083
  415    H    LYS  56           H        LYS  56  -8.197  -4.055  -0.395
  416    HA   LYS  56           HA       LYS  56 -10.852  -3.677  -1.098
  417   1HB   LYS  56          2HB       LYS  56  -9.290  -2.259   1.070
  418   2HB   LYS  56          1HB       LYS  56 -11.042  -2.378   0.988
  419   1HG   LYS  56          2HG       LYS  56  -9.160  -4.720   1.242
  420   2HG   LYS  56          1HG       LYS  56 -10.036  -3.965   2.573
  421   1HD   LYS  56          2HD       LYS  56 -12.168  -4.555   1.515
  422   2HD   LYS  56          1HD       LYS  56 -11.305  -5.289   0.163
  423   1HE   LYS  56          2HE       LYS  56 -11.109  -6.183   3.040
  424   2HE   LYS  56          1HE       LYS  56 -12.113  -6.948   1.810
  425   1HZ   LYS  56          1HZ       LYS  56  -9.158  -6.701   1.695
  426   2HZ   LYS  56          2HZ       LYS  56 -10.131  -7.478   0.556
  427   3HZ   LYS  56          3HZ       LYS  56 -10.005  -8.098   2.123
  428    H    ALA  57           H        ALA  57  -8.199  -1.366  -1.359
  429    HA   ALA  57           HA       ALA  57 -10.050   0.808  -2.001
  430   1HB   ALA  57          1HB       ALA  57  -8.215   1.225  -0.422
  431   2HB   ALA  57          2HB       ALA  57  -8.127   2.275  -1.836
  432   3HB   ALA  57          3HB       ALA  57  -7.050   0.886  -1.700
  433    H    ASP  58           H        ASP  58  -8.929  -1.595  -3.837
  434    HA   ASP  58           HA       ASP  58  -8.400   0.141  -6.171
  435   1HB   ASP  58          2HB       ASP  58  -6.458  -1.244  -5.385
  436   2HB   ASP  58          1HB       ASP  58  -7.389  -2.688  -5.775
  437    H    ALA  59           H        ALA  59  -8.568  -2.741  -7.603
  438    HA   ALA  59           HA       ALA  59 -10.064  -3.743  -8.975
  439   1HB   ALA  59          1HB       ALA  59 -12.326  -4.168  -8.171
  440   2HB   ALA  59          2HB       ALA  59 -12.114  -2.967  -6.896
  441   3HB   ALA  59          3HB       ALA  59 -11.149  -4.441  -6.887
  442    H    LEU  60           H        LEU  60  -9.594  -0.715  -8.961
  443    HA   LEU  60           HA       LEU  60 -12.039   0.301 -10.178
  444   1HB   LEU  60          2HB       LEU  60 -10.676   2.454 -10.304
  445   2HB   LEU  60          1HB       LEU  60 -11.096   1.852  -8.713
  446    HG   LEU  60           HG       LEU  60  -8.773   0.869  -8.561
  447   1HD1  LEU  60          1HD1      LEU  60  -7.042   1.766 -10.040
  448   2HD1  LEU  60          2HD1      LEU  60  -8.281   2.554 -11.018
  449   3HD1  LEU  60          3HD1      LEU  60  -8.214   0.794 -10.930
  450   1HD2  LEU  60          1HD2      LEU  60  -7.719   2.977  -7.979
  451   2HD2  LEU  60          2HD2      LEU  60  -9.404   2.969  -7.457
  452   3HD2  LEU  60          3HD2      LEU  60  -8.933   3.865  -8.902
  453    H    GLU  61           H        GLU  61  -9.887  -1.647 -11.423
  454    HA   GLU  61           HA       GLU  61  -8.824  -0.313 -13.677
  455   1HB   GLU  61          2HB       GLU  61  -7.898  -2.421 -12.829
  456   2HB   GLU  61          1HB       GLU  61  -9.372  -3.265 -13.280
  457   1HG   GLU  61          2HG       GLU  61  -8.932  -2.696 -15.650
  458   2HG   GLU  61          1HG       GLU  61  -7.412  -1.949 -15.155
  459    H    HIS  62           H        HIS  62 -10.501   0.866 -14.647
  460    HA   HIS  62           HA       HIS  62 -12.610  -0.648 -16.014
  461   1HB   HIS  62          2HB       HIS  62 -12.153   2.340 -15.797
  462   2HB   HIS  62          1HB       HIS  62 -13.527   1.582 -16.600
  463    HD1  HIS  62           HD1      HIS  62 -12.219   2.511 -13.253
  464    HD2  HIS  62           HD2      HIS  62 -15.413   0.380 -14.841
  465    HE1  HIS  62           HE1      HIS  62 -13.822   2.187 -11.353
  466    HE2  HIS  62           HE2      HIS  62 -15.663   0.757 -12.297
  467    H    HIS  63           H        HIS  63  -9.719   1.237 -16.659
  468    HA   HIS  63           HA       HIS  63  -9.137  -0.156 -19.022
  469   1HB   HIS  63          2HB       HIS  63 -11.002   1.301 -19.909
  470   2HB   HIS  63          1HB       HIS  63  -9.977   2.698 -19.594
  471    HD1  HIS  63           HD1      HIS  63 -10.229  -0.335 -21.806
  472    HD2  HIS  63           HD2      HIS  63  -7.981   3.146 -21.489
  473    HE1  HIS  63           HE1      HIS  63  -8.894  -0.205 -23.922
  474    HE2  HIS  63           HE2      HIS  63  -7.695   2.002 -23.790
  475    H    HIS  64           H        HIS  64  -8.652   2.807 -17.141
  476    HA   HIS  64           HA       HIS  64  -6.022   3.376 -18.017
  477   1HB   HIS  64          2HB       HIS  64  -7.322   3.948 -15.338
  478   2HB   HIS  64          1HB       HIS  64  -5.781   4.613 -15.863
  479    HD1  HIS  64           HD1      HIS  64  -8.843   5.911 -15.337
  480    HD2  HIS  64           HD2      HIS  64  -6.550   5.727 -18.791
  481    HE1  HIS  64           HE1      HIS  64  -9.671   7.777 -16.792
  482    HE2  HIS  64           HE2      HIS  64  -8.120   7.775 -18.766
  483    H    HIS  65           H        HIS  65  -4.769   1.531 -18.132
  484    HA   HIS  65           HA       HIS  65  -3.396   0.703 -15.794
  485   1HB   HIS  65          2HB       HIS  65  -5.640  -0.527 -15.592
  486   2HB   HIS  65          1HB       HIS  65  -5.125  -1.482 -16.977
  487    HD1  HIS  65           HD1      HIS  65  -4.838  -1.266 -13.336
  488    HD2  HIS  65           HD2      HIS  65  -2.748  -3.086 -16.433
  489    HE1  HIS  65           HE1      HIS  65  -3.396  -3.001 -12.245
  490    HE2  HIS  65           HE2      HIS  65  -2.039  -3.985 -14.118
  491    H    HIS  66           H        HIS  66  -4.133   0.380 -19.169
  492    HA   HIS  66           HA       HIS  66  -1.364  -0.314 -19.739
  493   1HB   HIS  66          2HB       HIS  66  -1.987  -2.176 -21.256
  494   2HB   HIS  66          1HB       HIS  66  -2.390  -2.523 -19.578
  495    HD1  HIS  66           HD1      HIS  66  -3.846  -2.341 -22.932
  496    HD2  HIS  66           HD2      HIS  66  -5.236  -2.299 -19.016
  497    HE1  HIS  66           HE1      HIS  66  -6.301  -2.817 -23.085
  498    HE2  HIS  66           HE2      HIS  66  -7.078  -2.973 -20.699
  499    H    HIS  67           H        HIS  67  -0.687   0.256 -21.825
  500    HA   HIS  67           HA       HIS  67  -0.647   1.304 -23.832
  501   1HB   HIS  67          2HB       HIS  67  -2.466  -0.246 -24.439
  502   2HB   HIS  67          1HB       HIS  67  -3.651   0.909 -23.843
  503    HD1  HIS  67           HD1      HIS  67  -3.988   3.095 -25.264
  504    HD2  HIS  67           HD2      HIS  67  -1.488   0.260 -26.993
  505    HE1  HIS  67           HE1      HIS  67  -3.764   3.777 -27.667
  506    HE2  HIS  67           HE2      HIS  67  -2.370   1.965 -28.726
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1   3.847  25.303  -3.822
    2   2H    MET   1          2H        MET   1   4.218  24.340  -5.159
    3   3H    MET   1          3H        MET   1   3.756  23.618  -3.703
    4    HA   MET   1           HA       MET   1   1.551  24.533  -3.879
    5   1HB   MET   1          2HB       MET   1   2.321  26.594  -5.088
    6   2HB   MET   1          1HB       MET   1   2.484  25.634  -6.547
    7   1HG   MET   1          2HG       MET   1   0.106  25.211  -6.586
    8   2HG   MET   1          1HG       MET   1  -0.095  26.052  -5.048
    9   1HE   MET   1          1HE       MET   1  -1.795  28.555  -7.524
   10   2HE   MET   1          2HE       MET   1  -1.976  27.618  -6.041
   11   3HE   MET   1          3HE       MET   1  -1.856  26.794  -7.596
   12    H    THR   2           H        THR   2   1.192  22.295  -3.860
   13    HA   THR   2           HA       THR   2   1.493  20.830  -6.414
   14    HB   THR   2           HB       THR   2   1.146  19.532  -3.705
   15    HG1  THR   2           HG1      THR   2   3.499  19.276  -3.799
   16   1HG2  THR   2          1HG2      THR   2   2.370  18.539  -6.289
   17   2HG2  THR   2          2HG2      THR   2   0.790  18.086  -5.646
   18   3HG2  THR   2          3HG2      THR   2   2.258  17.625  -4.785
   19    H    ILE   3           H        ILE   3  -0.892  22.353  -4.834
   20    HA   ILE   3           HA       ILE   3  -2.914  21.864  -3.937
   21    HB   ILE   3           HB       ILE   3  -4.570  21.030  -5.741
   22   1HG1  ILE   3          2HG1      ILE   3  -3.523  21.700  -8.082
   23   2HG1  ILE   3          1HG1      ILE   3  -2.019  21.193  -7.328
   24   1HG2  ILE   3          1HG2      ILE   3  -2.991  23.577  -6.065
   25   2HG2  ILE   3          2HG2      ILE   3  -4.394  23.321  -5.026
   26   3HG2  ILE   3          3HG2      ILE   3  -4.573  23.262  -6.779
   27   1HD1  ILE   3          1HD1      ILE   3  -4.476  19.485  -7.667
   28   2HD1  ILE   3          2HD1      ILE   3  -2.947  18.974  -6.951
   29   3HD1  ILE   3          3HD1      ILE   3  -3.019  19.419  -8.656
   30    H    GLN   4           H        GLN   4  -2.077  20.338  -2.470
   31    HA   GLN   4           HA       GLN   4  -1.671  17.653  -2.740
   32   1HB   GLN   4          2HB       GLN   4  -2.934  19.012  -0.347
   33   2HB   GLN   4          1HB       GLN   4  -2.096  17.466  -0.333
   34   1HG   GLN   4          2HG       GLN   4  -0.003  18.515  -0.863
   35   2HG   GLN   4          1HG       GLN   4  -0.796  20.069  -1.116
   36   1HE2  GLN   4          1HE2      GLN   4   0.340  17.793   1.250
   37   2HE2  GLN   4          2HE2      GLN   4   0.184  18.842   2.614
   38    H    ALA   5           H        ALA   5  -2.960  16.243  -3.741
   39    HA   ALA   5           HA       ALA   5  -5.530  15.546  -2.723
   40   1HB   ALA   5          1HB       ALA   5  -6.198  17.546  -3.961
   41   2HB   ALA   5          2HB       ALA   5  -6.898  16.092  -4.676
   42   3HB   ALA   5          3HB       ALA   5  -5.510  16.871  -5.440
   43    HA   PRO   6           HA       PRO   6  -4.498  12.546  -6.317
   44   1HB   PRO   6          2HB       PRO   6  -2.564  13.038  -8.095
   45   2HB   PRO   6          1HB       PRO   6  -4.130  13.854  -8.213
   46   1HG   PRO   6          2HG       PRO   6  -1.553  14.876  -7.062
   47   2HG   PRO   6          1HG       PRO   6  -2.673  15.685  -8.174
   48   1HD   PRO   6          2HD       PRO   6  -2.654  16.111  -5.469
   49   2HD   PRO   6          1HD       PRO   6  -4.100  16.305  -6.481
   50    H    GLU   7           H        GLU   7  -3.141  12.793  -3.761
   51    HA   GLU   7           HA       GLU   7  -0.417  11.828  -4.177
   52   1HB   GLU   7          2HB       GLU   7  -1.855  12.449  -1.591
   53   2HB   GLU   7          1HB       GLU   7  -0.125  12.195  -1.795
   54   1HG   GLU   7          2HG       GLU   7  -0.068  14.194  -3.273
   55   2HG   GLU   7          1HG       GLU   7  -1.763  14.478  -2.885
   56    H    THR   8           H        THR   8  -2.686  10.107  -4.824
   57    HA   THR   8           HA       THR   8  -2.059   7.837  -3.026
   58    HB   THR   8           HB       THR   8  -4.658   8.304  -4.519
   59    HG1  THR   8           HG1      THR   8  -4.990   9.462  -2.762
   60   1HG2  THR   8          1HG2      THR   8  -3.837   6.058  -2.665
   61   2HG2  THR   8          2HG2      THR   8  -4.132   5.923  -4.399
   62   3HG2  THR   8          3HG2      THR   8  -5.463   6.309  -3.308
   63    H    LYS   9           H        LYS   9  -1.428   5.920  -3.971
   64    HA   LYS   9           HA       LYS   9  -1.284   5.798  -6.912
   65   1HB   LYS   9          2HB       LYS   9   1.072   5.432  -5.041
   66   2HB   LYS   9          1HB       LYS   9   1.093   5.117  -6.770
   67   1HG   LYS   9          2HG       LYS   9   0.702   7.458  -7.242
   68   2HG   LYS   9          1HG       LYS   9   0.543   7.803  -5.520
   69   1HD   LYS   9          2HD       LYS   9   2.754   8.446  -6.316
   70   2HD   LYS   9          1HD       LYS   9   2.878   7.107  -5.177
   71   1HE   LYS   9          2HE       LYS   9   3.069   5.535  -7.059
   72   2HE   LYS   9          1HE       LYS   9   2.974   6.889  -8.186
   73   1HZ   LYS   9          1HZ       LYS   9   5.013   7.766  -7.248
   74   2HZ   LYS   9          2HZ       LYS   9   5.255   6.195  -7.815
   75   3HZ   LYS   9          3HZ       LYS   9   5.104   6.481  -6.154
   76    H    ILE  10           H        ILE  10  -1.458   3.744  -7.740
   77    HA   ILE  10           HA       ILE  10  -2.020   1.611  -5.800
   78    HB   ILE  10           HB       ILE  10  -2.620   1.698  -8.767
   79   1HG1  ILE  10          2HG1      ILE  10  -4.439   2.095  -6.369
   80   2HG1  ILE  10          1HG1      ILE  10  -3.930   3.347  -7.496
   81   1HG2  ILE  10          1HG2      ILE  10  -2.331  -0.586  -7.937
   82   2HG2  ILE  10          2HG2      ILE  10  -4.018  -0.270  -8.343
   83   3HG2  ILE  10          3HG2      ILE  10  -3.502  -0.276  -6.655
   84   1HD1  ILE  10          1HD1      ILE  10  -5.124   2.216  -9.298
   85   2HD1  ILE  10          2HD1      ILE  10  -6.198   2.616  -7.958
   86   3HD1  ILE  10          3HD1      ILE  10  -5.636   0.957  -8.172
   87    H    VAL  11           H        VAL  11  -0.244   0.484  -5.273
   88    HA   VAL  11           HA       VAL  11   1.709  -0.267  -7.347
   89    HB   VAL  11           HB       VAL  11   1.967  -0.755  -4.372
   90   1HG1  VAL  11          1HG1      VAL  11   3.479  -2.036  -5.840
   91   2HG1  VAL  11          2HG1      VAL  11   4.351  -0.891  -4.824
   92   3HG1  VAL  11          3HG1      VAL  11   4.074  -0.524  -6.528
   93   1HG2  VAL  11          1HG2      VAL  11   1.625   1.639  -4.695
   94   2HG2  VAL  11          2HG2      VAL  11   2.891   1.671  -5.923
   95   3HG2  VAL  11          3HG2      VAL  11   3.298   1.313  -4.245
   96    H    ASP  12           H        ASP  12   2.480  -2.518  -7.417
   97    HA   ASP  12           HA       ASP  12   0.203  -4.333  -7.236
   98   1HB   ASP  12          2HB       ASP  12   1.557  -5.814  -8.671
   99   2HB   ASP  12          1HB       ASP  12   1.408  -4.196  -9.354
  100    H    LYS  13           H        LYS  13   2.790  -3.586  -5.259
  101    HA   LYS  13           HA       LYS  13   2.728  -6.249  -4.012
  102   1HB   LYS  13          2HB       LYS  13   5.141  -6.059  -3.506
  103   2HB   LYS  13          1HB       LYS  13   4.809  -6.134  -5.229
  104   1HG   LYS  13          2HG       LYS  13   5.057  -3.658  -5.329
  105   2HG   LYS  13          1HG       LYS  13   5.534  -3.682  -3.630
  106   1HD   LYS  13          2HD       LYS  13   7.510  -3.622  -5.052
  107   2HD   LYS  13          1HD       LYS  13   7.424  -5.163  -4.193
  108   1HE   LYS  13          2HE       LYS  13   6.393  -6.169  -6.232
  109   2HE   LYS  13          1HE       LYS  13   6.668  -4.643  -7.072
  110   1HZ   LYS  13          1HZ       LYS  13   8.760  -6.387  -5.895
  111   2HZ   LYS  13          2HZ       LYS  13   9.041  -4.914  -6.679
  112   3HZ   LYS  13          3HZ       LYS  13   8.414  -6.223  -7.543
  113    H    SER  14           H        SER  14   3.170  -6.315  -1.742
  114    HA   SER  14           HA       SER  14   1.966  -4.046  -0.396
  115   1HB   SER  14          2HB       SER  14   2.888  -6.696   0.754
  116   2HB   SER  14          1HB       SER  14   1.849  -5.516   1.554
  117    HG   SER  14           HG       SER  14   0.281  -6.581   0.654
  118    H    ARG  15           H        ARG  15   5.047  -4.323  -1.256
  119    HA   ARG  15           HA       ARG  15   6.061  -3.177   1.269
  120   1HB   ARG  15          2HB       ARG  15   7.617  -4.965  -0.612
  121   2HB   ARG  15          1HB       ARG  15   8.200  -4.282   0.903
  122   1HG   ARG  15          2HG       ARG  15   6.599  -5.577   2.158
  123   2HG   ARG  15          1HG       ARG  15   5.883  -6.186   0.667
  124   1HD   ARG  15          2HD       ARG  15   7.297  -7.893   1.547
  125   2HD   ARG  15          1HD       ARG  15   8.103  -7.225   0.128
  126    HE   ARG  15           HE       ARG  15   9.003  -5.855   2.400
  127   1HH1  ARG  15          1HH1      ARG  15   9.169  -9.015   1.056
  128   2HH1  ARG  15          2HH1      ARG  15  10.731  -9.339   1.717
  129   1HH2  ARG  15          1HH2      ARG  15  10.995  -6.287   3.280
  130   2HH2  ARG  15          2HH2      ARG  15  11.759  -7.804   2.954
  131    H    VAL  16           H        VAL  16   6.610  -1.143   1.012
  132    HA   VAL  16           HA       VAL  16   7.868  -0.244  -1.512
  133    HB   VAL  16           HB       VAL  16   5.808   1.363   0.029
  134   1HG1  VAL  16          1HG1      VAL  16   7.443   2.757  -1.117
  135   2HG1  VAL  16          2HG1      VAL  16   5.876   2.872  -1.917
  136   3HG1  VAL  16          3HG1      VAL  16   7.158   1.890  -2.626
  137   1HG2  VAL  16          1HG2      VAL  16   4.289   0.968  -1.856
  138   2HG2  VAL  16          2HG2      VAL  16   4.738  -0.543  -1.064
  139   3HG2  VAL  16          3HG2      VAL  16   5.483  -0.098  -2.599
  140    H    ALA  17           H        ALA  17   9.300   1.588  -1.310
  141    HA   ALA  17           HA       ALA  17  10.692   1.667   1.222
  142   1HB   ALA  17          1HB       ALA  17  11.938   1.565  -0.876
  143   2HB   ALA  17          2HB       ALA  17  12.354   3.010   0.045
  144   3HB   ALA  17          3HB       ALA  17  11.281   3.132  -1.351
  145    H    CYS  18           H        CYS  18  11.267   3.626   2.352
  146    HA   CYS  18           HA       CYS  18   9.346   5.850   2.102
  147   1HB   CYS  18          2HB       CYS  18   8.463   4.224   3.737
  148   2HB   CYS  18          1HB       CYS  18   9.953   4.343   4.660
  149    HG   CYS  18           HG       CYS  18   8.515   5.836   6.256
  150    H    ASP  19           H        ASP  19  10.033   7.301   4.326
  151    HA   ASP  19           HA       ASP  19  11.464   8.820   5.177
  152   1HB   ASP  19          2HB       ASP  19  12.666   6.741   5.924
  153   2HB   ASP  19          1HB       ASP  19  13.690   6.884   4.500
  154    H    GLY  20           H        GLY  20  10.988  10.310   3.498
  155   1HA   GLY  20          2HA       GLY  20  13.058  11.691   2.424
  156   2HA   GLY  20          1HA       GLY  20  12.715  10.497   1.181
  157    H    GLY  21           H        GLY  21  12.453  13.317   0.778
  158   1HA   GLY  21          2HA       GLY  21  10.063  13.436  -0.612
  159   2HA   GLY  21          1HA       GLY  21   9.669  14.037   0.985
  160    H    GLU  22           H        GLU  22  12.763  14.644  -0.646
  161    HA   GLU  22           HA       GLU  22  11.871  17.161  -1.741
  162   1HB   GLU  22          2HB       GLU  22  12.281  17.738   0.643
  163   2HB   GLU  22          1HB       GLU  22  13.946  17.200   0.466
  164   1HG   GLU  22          2HG       GLU  22  13.733  19.643   0.346
  165   2HG   GLU  22          1HG       GLU  22  14.392  18.957  -1.139
  166    H    GLY  23           H        GLY  23  13.325  18.053  -3.245
  167   1HA   GLY  23          2HA       GLY  23  14.618  17.671  -5.127
  168   2HA   GLY  23          1HA       GLY  23  15.877  17.486  -3.925
  169    H    ALA  24           H        ALA  24  16.686  15.433  -3.468
  170    HA   ALA  24           HA       ALA  24  16.337  13.478  -5.555
  171   1HB   ALA  24          1HB       ALA  24  18.555  13.981  -4.626
  172   2HB   ALA  24          2HB       ALA  24  18.152  12.271  -4.471
  173   3HB   ALA  24          3HB       ALA  24  18.039  13.334  -3.066
  174    H    LEU  25           H        LEU  25  14.504  14.064  -2.953
  175    HA   LEU  25           HA       LEU  25  12.853  12.972  -1.884
  176   1HB   LEU  25          2HB       LEU  25  13.415  10.784  -3.885
  177   2HB   LEU  25          1HB       LEU  25  12.023  10.830  -2.818
  178    HG   LEU  25           HG       LEU  25  12.644  12.810  -5.020
  179   1HD1  LEU  25          1HD1      LEU  25  11.874  10.636  -5.837
  180   2HD1  LEU  25          2HD1      LEU  25  10.678  11.901  -6.116
  181   3HD1  LEU  25          3HD1      LEU  25  10.452  10.749  -4.798
  182   1HD2  LEU  25          1HD2      LEU  25  10.290  12.703  -3.129
  183   2HD2  LEU  25          2HD2      LEU  25  10.456  13.789  -4.508
  184   3HD2  LEU  25          3HD2      LEU  25  11.561  13.927  -3.142
  185    H    GLY  26           H        GLY  26  15.874  12.364  -1.344
  186   1HA   GLY  26          2HA       GLY  26  17.064  11.224   0.250
  187   2HA   GLY  26          1HA       GLY  26  15.537  11.081   1.097
  188    H    HIS  27           H        HIS  27  15.031   9.081   1.618
  189    HA   HIS  27           HA       HIS  27  14.646   6.856   1.570
  190   1HB   HIS  27          2HB       HIS  27  15.147   7.073  -1.410
  191   2HB   HIS  27          1HB       HIS  27  14.412   5.695  -0.592
  192    HD1  HIS  27           HD1      HIS  27  12.603   7.585   1.292
  193    HD2  HIS  27           HD2      HIS  27  12.836   7.694  -2.856
  194    HE1  HIS  27           HE1      HIS  27  10.466   8.664   0.526
  195    HE2  HIS  27           HE2      HIS  27  10.589   8.636  -1.988
  196    HA   PRO  28           HA       PRO  28  19.070   5.593   1.682
  197   1HB   PRO  28          2HB       PRO  28  19.034   4.768   4.270
  198   2HB   PRO  28          1HB       PRO  28  19.370   6.436   3.805
  199   1HG   PRO  28          2HG       PRO  28  16.840   5.232   4.853
  200   2HG   PRO  28          1HG       PRO  28  17.566   6.809   5.216
  201   1HD   PRO  28          2HD       PRO  28  15.478   6.447   3.464
  202   2HD   PRO  28          1HD       PRO  28  16.623   7.800   3.373
  203    H    ARG  29           H        ARG  29  16.728   3.852   3.737
  204    HA   ARG  29           HA       ARG  29  15.839   2.016   1.898
  205   1HB   ARG  29          2HB       ARG  29  18.294   1.229   2.088
  206   2HB   ARG  29          1HB       ARG  29  17.822   0.605   3.666
  207   1HG   ARG  29          2HG       ARG  29  17.628  -1.154   2.060
  208   2HG   ARG  29          1HG       ARG  29  16.010  -0.690   2.551
  209   1HD   ARG  29          2HD       ARG  29  15.642   0.499   0.532
  210   2HD   ARG  29          1HD       ARG  29  17.346   0.416   0.087
  211    HE   ARG  29           HE       ARG  29  16.276  -2.191   0.311
  212   1HH1  ARG  29          1HH1      ARG  29  16.207   0.571  -1.737
  213   2HH1  ARG  29          2HH1      ARG  29  15.867  -0.343  -3.158
  214   1HH2  ARG  29          1HH2      ARG  29  15.840  -3.367  -1.516
  215   2HH2  ARG  29          2HH2      ARG  29  15.660  -2.563  -3.036
  216    H    VAL  30           H        VAL  30  14.062   2.625   3.005
  217    HA   VAL  30           HA       VAL  30  13.562   1.304   5.598
  218    HB   VAL  30           HB       VAL  30  12.507   4.028   4.757
  219   1HG1  VAL  30          1HG1      VAL  30  11.568   4.144   7.025
  220   2HG1  VAL  30          2HG1      VAL  30  12.115   2.496   7.334
  221   3HG1  VAL  30          3HG1      VAL  30  10.886   2.801   6.105
  222   1HG2  VAL  30          1HG2      VAL  30  13.874   4.927   6.583
  223   2HG2  VAL  30          2HG2      VAL  30  14.874   4.130   5.369
  224   3HG2  VAL  30          3HG2      VAL  30  14.526   3.317   6.895
  225    H    TRP  31           H        TRP  31  11.675   0.109   5.671
  226    HA   TRP  31           HA       TRP  31  10.079   0.094   3.175
  227   1HB   TRP  31          2HB       TRP  31  10.831  -2.204   4.990
  228   2HB   TRP  31          1HB       TRP  31   9.709  -2.335   3.641
  229    HD1  TRP  31           HD1      TRP  31  13.452  -1.799   4.372
  230    HE1  TRP  31           HE1      TRP  31  14.781  -2.370   2.244
  231    HE3  TRP  31           HE3      TRP  31   9.550  -2.490   1.138
  232    HZ2  TRP  31           HZ2      TRP  31  14.244  -3.029  -0.452
  233    HZ3  TRP  31           HZ3      TRP  31  10.042  -3.091  -1.198
  234    HH2  TRP  31           HH2      TRP  31  12.344  -3.353  -1.976
  235    H    LEU  32           H        LEU  32   7.937   0.254   3.267
  236    HA   LEU  32           HA       LEU  32   6.569  -0.076   5.866
  237   1HB   LEU  32          2HB       LEU  32   6.137   1.808   3.604
  238   2HB   LEU  32          1HB       LEU  32   4.702   1.200   4.401
  239    HG   LEU  32           HG       LEU  32   5.471   2.090   6.546
  240   1HD1  LEU  32          1HD1      LEU  32   7.449   3.560   6.639
  241   2HD1  LEU  32          2HD1      LEU  32   7.859   3.076   4.993
  242   3HD1  LEU  32          3HD1      LEU  32   7.858   1.882   6.288
  243   1HD2  LEU  32          1HD2      LEU  32   5.550   4.132   4.319
  244   2HD2  LEU  32          2HD2      LEU  32   5.272   4.480   6.026
  245   3HD2  LEU  32          3HD2      LEU  32   4.103   3.517   5.125
  246    H    GLN  33           H        GLN  33   4.721  -1.338   5.980
  247    HA   GLN  33           HA       GLN  33   4.344  -3.215   3.746
  248   1HB   GLN  33          2HB       GLN  33   4.998  -4.290   5.809
  249   2HB   GLN  33          1HB       GLN  33   3.753  -3.440   6.709
  250   1HG   GLN  33          2HG       GLN  33   2.823  -5.522   6.504
  251   2HG   GLN  33          1HG       GLN  33   2.112  -4.699   5.122
  252   1HE2  GLN  33          1HE2      GLN  33   4.608  -4.897   3.528
  253   2HE2  GLN  33          2HE2      GLN  33   4.710  -6.548   3.056
  254    H    ILE  34           H        ILE  34   2.590  -2.944   2.512
  255    HA   ILE  34           HA       ILE  34   0.395  -1.265   3.270
  256    HB   ILE  34           HB       ILE  34   0.521  -3.177   0.928
  257   1HG1  ILE  34          2HG1      ILE  34   1.294  -0.248   1.021
  258   2HG1  ILE  34          1HG1      ILE  34   2.430  -1.585   0.908
  259   1HG2  ILE  34          1HG2      ILE  34  -1.158  -1.658  -0.063
  260   2HG2  ILE  34          2HG2      ILE  34  -1.187  -0.741   1.442
  261   3HG2  ILE  34          3HG2      ILE  34  -1.728  -2.419   1.422
  262   1HD1  ILE  34          1HD1      ILE  34   0.358  -0.827  -1.141
  263   2HD1  ILE  34          2HD1      ILE  34   1.466  -2.194  -1.261
  264   3HD1  ILE  34          3HD1      ILE  34   2.096  -0.548  -1.249
  265    HA   PRO  35           HA       PRO  35  -1.773  -4.727   5.260
  266   1HB   PRO  35          2HB       PRO  35  -3.643  -3.270   6.529
  267   2HB   PRO  35          1HB       PRO  35  -1.962  -3.291   7.080
  268   1HG   PRO  35          2HG       PRO  35  -3.379  -1.243   5.404
  269   2HG   PRO  35          1HG       PRO  35  -2.298  -0.989   6.785
  270   1HD   PRO  35          2HD       PRO  35  -1.486  -0.777   4.181
  271   2HD   PRO  35          1HD       PRO  35  -0.398  -1.258   5.496
  272    H    GLU  36           H        GLU  36  -3.338  -5.990   4.370
  273    HA   GLU  36           HA       GLU  36  -4.910  -4.971   2.174
  274   1HB   GLU  36          2HB       GLU  36  -5.801  -7.318   2.060
  275   2HB   GLU  36          1HB       GLU  36  -4.056  -7.175   1.908
  276   1HG   GLU  36          2HG       GLU  36  -3.831  -7.806   4.288
  277   2HG   GLU  36          1HG       GLU  36  -5.579  -8.044   4.363
  278    H    ASP  37           H        ASP  37  -5.354  -5.056   5.502
  279    HA   ASP  37           HA       ASP  37  -8.179  -5.227   5.683
  280   1HB   ASP  37          2HB       ASP  37  -6.716  -5.417   7.642
  281   2HB   ASP  37          1HB       ASP  37  -6.182  -3.753   7.427
  282    H    THR  38           H        THR  38  -6.047  -2.357   5.661
  283    HA   THR  38           HA       THR  38  -8.221  -0.524   5.144
  284    HB   THR  38           HB       THR  38  -6.524   1.217   5.081
  285    HG1  THR  38           HG1      THR  38  -4.338   0.730   5.033
  286   1HG2  THR  38          1HG2      THR  38  -7.171   0.420   7.306
  287   2HG2  THR  38          2HG2      THR  38  -5.479   0.916   7.281
  288   3HG2  THR  38          3HG2      THR  38  -5.895  -0.797   7.247
  289    H    GLY  39           H        GLY  39  -5.493  -1.860   3.338
  290   1HA   GLY  39          2HA       GLY  39  -5.624  -2.371   1.003
  291   2HA   GLY  39          1HA       GLY  39  -6.797  -1.079   0.811
  292    H    TRP  40           H        TRP  40  -4.415   0.088   2.806
  293    HA   TRP  40           HA       TRP  40  -2.491   0.868   0.807
  294   1HB   TRP  40          2HB       TRP  40  -3.013   3.302   0.896
  295   2HB   TRP  40          1HB       TRP  40  -4.278   2.352   0.125
  296    HD1  TRP  40           HD1      TRP  40  -6.662   2.378   1.223
  297    HE1  TRP  40           HE1      TRP  40  -7.708   3.700   3.166
  298    HE3  TRP  40           HE3      TRP  40  -2.406   4.337   3.277
  299    HZ2  TRP  40           HZ2      TRP  40  -6.853   5.343   5.289
  300    HZ3  TRP  40           HZ3      TRP  40  -2.611   5.772   5.264
  301    HH2  TRP  40           HH2      TRP  40  -4.787   6.264   6.246
  302    H    VAL  41           H        VAL  41  -0.773   2.224   1.610
  303    HA   VAL  41           HA       VAL  41  -0.868   3.081   4.404
  304    HB   VAL  41           HB       VAL  41   0.254   0.824   4.411
  305   1HG1  VAL  41          1HG1      VAL  41   2.449   0.534   3.462
  306   2HG1  VAL  41          2HG1      VAL  41   2.475   2.207   2.905
  307   3HG1  VAL  41          3HG1      VAL  41   1.346   1.061   2.189
  308   1HG2  VAL  41          1HG2      VAL  41   1.988   3.174   5.199
  309   2HG2  VAL  41          2HG2      VAL  41   2.173   1.522   5.789
  310   3HG2  VAL  41          3HG2      VAL  41   0.716   2.439   6.176
  311    H    GLU  42           H        GLU  42   0.150   5.068   4.672
  312    HA   GLU  42           HA       GLU  42   1.356   6.155   2.203
  313   1HB   GLU  42          2HB       GLU  42   0.559   8.379   2.961
  314   2HB   GLU  42          1HB       GLU  42  -0.730   7.231   2.631
  315   1HG   GLU  42          2HG       GLU  42  -0.954   6.818   5.047
  316   2HG   GLU  42          1HG       GLU  42   0.297   8.024   5.351
  317    H    CYS  43           H        CYS  43   3.204   7.282   2.218
  318    HA   CYS  43           HA       CYS  43   5.006   6.948   4.419
  319   1HB   CYS  43          2HB       CYS  43   5.855   6.867   2.145
  320   2HB   CYS  43          1HB       CYS  43   5.276   8.497   1.829
  321    HG   CYS  43           HG       CYS  43   8.048   7.475   3.427
  322    HA   PRO  44           HA       PRO  44   3.550  10.677   6.559
  323   1HB   PRO  44          2HB       PRO  44   5.967  10.111   8.208
  324   2HB   PRO  44          1HB       PRO  44   4.292  10.367   8.714
  325   1HG   PRO  44          2HG       PRO  44   5.354   7.925   8.741
  326   2HG   PRO  44          1HG       PRO  44   3.673   8.174   8.228
  327   1HD   PRO  44          2HD       PRO  44   6.118   7.695   6.555
  328   2HD   PRO  44          1HD       PRO  44   4.473   7.049   6.361
  329    H    TYR  45           H        TYR  45   6.565  10.167   5.003
  330    HA   TYR  45           HA       TYR  45   7.643  12.802   5.588
  331   1HB   TYR  45          2HB       TYR  45   8.664  10.553   3.837
  332   2HB   TYR  45          1HB       TYR  45   9.545  12.040   4.166
  333    HD1  TYR  45           HD2      TYR  45   8.312   8.888   5.630
  334    HD2  TYR  45           HD1      TYR  45  10.631  12.398   6.304
  335    HE1  TYR  45           HE2      TYR  45   9.233   7.883   7.674
  336    HE2  TYR  45           HE1      TYR  45  11.555  11.397   8.350
  337    HH   TYR  45           HH       TYR  45  11.266   8.117   9.093
  338    H    CYS  46           H        CYS  46   6.585  11.038   2.653
  339    HA   CYS  46           HA       CYS  46   6.517  13.599   1.189
  340   1HB   CYS  46          2HB       CYS  46   7.850  11.807   0.174
  341   2HB   CYS  46          1HB       CYS  46   6.439  10.758   0.144
  342    HG   CYS  46           HG       CYS  46   5.785  13.601  -1.410
  343    H    ASP  47           H        ASP  47   4.410  11.644   2.837
  344    HA   ASP  47           HA       ASP  47   2.153  11.545   3.036
  345   1HB   ASP  47          2HB       ASP  47   2.208  13.880   1.114
  346   2HB   ASP  47          1HB       ASP  47   0.767  13.315   1.956
  347    H    CYS  48           H        CYS  48   3.710  10.397   0.557
  348    HA   CYS  48           HA       CYS  48   1.689   9.985  -1.421
  349   1HB   CYS  48          2HB       CYS  48   3.344   8.244  -2.274
  350   2HB   CYS  48          1HB       CYS  48   3.929   9.902  -2.182
  351    HG   CYS  48           HG       CYS  48   5.892   7.933  -1.419
  352    H    LYS  49           H        LYS  49   0.006   8.696  -1.236
  353    HA   LYS  49           HA       LYS  49  -0.112   6.629   0.823
  354   1HB   LYS  49          2HB       LYS  49  -1.903   8.407   0.431
  355   2HB   LYS  49          1HB       LYS  49  -2.310   7.544  -1.044
  356   1HG   LYS  49          2HG       LYS  49  -2.739   5.515   0.378
  357   2HG   LYS  49          1HG       LYS  49  -2.559   6.561   1.790
  358   1HD   LYS  49          2HD       LYS  49  -4.635   6.752  -0.401
  359   2HD   LYS  49          1HD       LYS  49  -4.904   6.392   1.304
  360   1HE   LYS  49          2HE       LYS  49  -3.815   9.014   0.269
  361   2HE   LYS  49          1HE       LYS  49  -5.515   8.724   0.624
  362   1HZ   LYS  49          1HZ       LYS  49  -4.990   8.386   2.915
  363   2HZ   LYS  49          2HZ       LYS  49  -4.294   9.842   2.428
  364   3HZ   LYS  49          3HZ       LYS  49  -3.328   8.466   2.621
  365    H    TYR  50           H        TYR  50   0.473   4.582   0.272
  366    HA   TYR  50           HA       TYR  50   0.386   3.808  -2.556
  367   1HB   TYR  50          2HB       TYR  50   1.814   2.531  -0.209
  368   2HB   TYR  50          1HB       TYR  50   1.882   1.945  -1.869
  369    HD1  TYR  50           HD1      TYR  50   2.763   3.609  -3.654
  370    HD2  TYR  50           HD2      TYR  50   3.391   4.107   0.529
  371    HE1  TYR  50           HE1      TYR  50   4.663   5.093  -4.121
  372    HE2  TYR  50           HE2      TYR  50   5.291   5.601   0.067
  373    HH   TYR  50           HH       TYR  50   6.932   5.953  -1.822
  374    H    VAL  51           H        VAL  51  -1.585   3.046  -3.041
  375    HA   VAL  51           HA       VAL  51  -3.014   1.183  -1.342
  376    HB   VAL  51           HB       VAL  51  -3.568   2.154  -4.160
  377   1HG1  VAL  51          1HG1      VAL  51  -4.547  -0.071  -3.838
  378   2HG1  VAL  51          2HG1      VAL  51  -5.800   1.167  -3.920
  379   3HG1  VAL  51          3HG1      VAL  51  -5.337   0.485  -2.361
  380   1HG2  VAL  51          1HG2      VAL  51  -3.765   3.893  -2.456
  381   2HG2  VAL  51          2HG2      VAL  51  -4.856   2.871  -1.519
  382   3HG2  VAL  51          3HG2      VAL  51  -5.351   3.470  -3.103
  383    H    LEU  52           H        LEU  52  -3.290  -1.019  -1.670
  384    HA   LEU  52           HA       LEU  52  -1.322  -2.354  -3.362
  385   1HB   LEU  52          2HB       LEU  52  -1.582  -3.132  -1.076
  386   2HB   LEU  52          1HB       LEU  52  -3.292  -3.423  -1.334
  387    HG   LEU  52           HG       LEU  52  -2.703  -5.196  -2.985
  388   1HD1  LEU  52          1HD1      LEU  52   0.123  -4.677  -2.056
  389   2HD1  LEU  52          2HD1      LEU  52  -0.515  -4.394  -3.676
  390   3HD1  LEU  52          3HD1      LEU  52  -0.395  -6.038  -3.052
  391   1HD2  LEU  52          1HD2      LEU  52  -1.506  -5.553  -0.233
  392   2HD2  LEU  52          2HD2      LEU  52  -1.959  -6.852  -1.337
  393   3HD2  LEU  52          3HD2      LEU  52  -3.198  -5.790  -0.670
  394    H    LYS  53           H        LYS  53  -1.783  -3.095  -5.348
  395    HA   LYS  53           HA       LYS  53  -4.428  -3.162  -6.421
  396   1HB   LYS  53          2HB       LYS  53  -2.126  -2.877  -7.638
  397   2HB   LYS  53          1HB       LYS  53  -2.100  -4.635  -7.651
  398   1HG   LYS  53          2HG       LYS  53  -4.391  -3.032  -8.777
  399   2HG   LYS  53          1HG       LYS  53  -2.982  -3.488  -9.734
  400   1HD   LYS  53          2HD       LYS  53  -3.462  -5.839  -9.402
  401   2HD   LYS  53          1HD       LYS  53  -4.784  -5.447  -8.299
  402   1HE   LYS  53          2HE       LYS  53  -4.703  -4.609 -11.199
  403   2HE   LYS  53          1HE       LYS  53  -5.515  -6.060 -10.615
  404   1HZ   LYS  53          1HZ       LYS  53  -7.017  -4.140 -10.881
  405   2HZ   LYS  53          2HZ       LYS  53  -6.152  -3.307  -9.689
  406   3HZ   LYS  53          3HZ       LYS  53  -6.978  -4.725  -9.295
  407    H    GLY  54           H        GLY  54  -5.899  -4.755  -6.285
  408   1HA   GLY  54          2HA       GLY  54  -6.692  -6.973  -6.081
  409   2HA   GLY  54          1HA       GLY  54  -5.103  -7.471  -5.514
  410    H    SER  55           H        SER  55  -7.486  -5.013  -4.477
  411    HA   SER  55           HA       SER  55  -7.774  -6.245  -1.870
  412   1HB   SER  55          2HB       SER  55  -6.840  -4.488  -0.549
  413   2HB   SER  55          1HB       SER  55  -5.625  -4.851  -1.775
  414    HG   SER  55           HG       SER  55  -5.896  -2.929  -2.626
  415    H    LYS  56           H        LYS  56  -8.959  -4.520  -0.396
  416    HA   LYS  56           HA       LYS  56 -11.497  -4.048  -1.542
  417   1HB   LYS  56          2HB       LYS  56 -11.152  -4.625   0.800
  418   2HB   LYS  56          1HB       LYS  56 -10.260  -3.137   1.061
  419   1HG   LYS  56          2HG       LYS  56 -12.234  -1.817   0.818
  420   2HG   LYS  56          1HG       LYS  56 -13.166  -3.212   0.263
  421   1HD   LYS  56          2HD       LYS  56 -13.584  -2.602   2.647
  422   2HD   LYS  56          1HD       LYS  56 -13.011  -4.256   2.426
  423   1HE   LYS  56          2HE       LYS  56 -10.689  -3.404   2.935
  424   2HE   LYS  56          1HE       LYS  56 -11.432  -1.871   3.390
  425   1HZ   LYS  56          1HZ       LYS  56 -11.022  -3.326   5.293
  426   2HZ   LYS  56          2HZ       LYS  56 -12.041  -4.499   4.629
  427   3HZ   LYS  56          3HZ       LYS  56 -12.671  -3.002   5.102
  428    H    ALA  57           H        ALA  57  -8.651  -2.128  -1.519
  429    HA   ALA  57           HA       ALA  57 -10.143   0.344  -2.102
  430   1HB   ALA  57          1HB       ALA  57  -8.318   0.486  -0.464
  431   2HB   ALA  57          2HB       ALA  57  -8.010   1.493  -1.877
  432   3HB   ALA  57          3HB       ALA  57  -7.174  -0.049  -1.696
  433    H    ASP  58           H        ASP  58  -9.221  -2.233  -3.803
  434    HA   ASP  58           HA       ASP  58  -8.448  -0.715  -6.215
  435   1HB   ASP  58          2HB       ASP  58  -6.566  -2.022  -5.533
  436   2HB   ASP  58          1HB       ASP  58  -7.567  -3.430  -5.222
  437    H    ALA  59           H        ALA  59  -8.932  -2.188  -8.257
  438    HA   ALA  59           HA       ALA  59 -10.421  -3.175  -9.644
  439   1HB   ALA  59          1HB       ALA  59 -12.041  -4.792  -8.795
  440   2HB   ALA  59          2HB       ALA  59 -11.733  -4.252  -7.143
  441   3HB   ALA  59          3HB       ALA  59 -10.455  -5.043  -8.065
  442    H    LEU  60           H        LEU  60 -11.159  -1.183 -10.369
  443    HA   LEU  60           HA       LEU  60 -13.282   0.177  -8.923
  444   1HB   LEU  60          2HB       LEU  60 -11.786   0.918 -11.445
  445   2HB   LEU  60          1HB       LEU  60 -13.027   1.911 -10.707
  446    HG   LEU  60           HG       LEU  60 -11.589   2.032  -8.635
  447   1HD1  LEU  60          1HD1      LEU  60  -9.225   1.504  -8.814
  448   2HD1  LEU  60          2HD1      LEU  60  -9.468   0.859 -10.438
  449   3HD1  LEU  60          3HD1      LEU  60 -10.202   0.057  -9.049
  450   1HD2  LEU  60          1HD2      LEU  60 -11.683   3.879 -10.212
  451   2HD2  LEU  60          2HD2      LEU  60 -10.416   3.137 -11.192
  452   3HD2  LEU  60          3HD2      LEU  60 -10.055   3.706  -9.562
  453    H    GLU  61           H        GLU  61 -14.934  -1.429  -9.209
  454    HA   GLU  61           HA       GLU  61 -15.910  -2.330 -11.696
  455   1HB   GLU  61          2HB       GLU  61 -17.412  -1.953  -9.093
  456   2HB   GLU  61          1HB       GLU  61 -17.945  -2.941 -10.447
  457   1HG   GLU  61          2HG       GLU  61 -16.037  -4.422 -10.147
  458   2HG   GLU  61          1HG       GLU  61 -15.444  -3.414  -8.828
  459    H    HIS  62           H        HIS  62 -15.974   0.759 -10.433
  460    HA   HIS  62           HA       HIS  62 -18.369   1.590 -11.906
  461   1HB   HIS  62          2HB       HIS  62 -17.988   3.787 -10.698
  462   2HB   HIS  62          1HB       HIS  62 -18.383   2.416  -9.667
  463    HD1  HIS  62           HD1      HIS  62 -16.313   1.349  -8.326
  464    HD2  HIS  62           HD2      HIS  62 -15.648   5.065 -10.072
  465    HE1  HIS  62           HE1      HIS  62 -14.242   2.250  -7.233
  466    HE2  HIS  62           HE2      HIS  62 -13.933   4.541  -8.201
  467    H    HIS  63           H        HIS  63 -15.619   0.879 -13.041
  468    HA   HIS  63           HA       HIS  63 -15.546   3.175 -14.859
  469   1HB   HIS  63          2HB       HIS  63 -13.170   2.035 -13.405
  470   2HB   HIS  63          1HB       HIS  63 -12.972   2.802 -14.975
  471    HD1  HIS  63           HD1      HIS  63 -13.321   5.374 -15.091
  472    HD2  HIS  63           HD2      HIS  63 -13.677   3.771 -11.279
  473    HE1  HIS  63           HE1      HIS  63 -13.228   7.329 -13.529
  474    HE2  HIS  63           HE2      HIS  63 -13.190   6.307 -11.241
  475    H    HIS  64           H        HIS  64 -15.115   2.710 -16.978
  476    HA   HIS  64           HA       HIS  64 -14.830   1.561 -18.902
  477   1HB   HIS  64          2HB       HIS  64 -12.684   0.920 -17.577
  478   2HB   HIS  64          1HB       HIS  64 -13.437  -0.662 -17.427
  479    HD1  HIS  64           HD1      HIS  64 -11.574   1.486 -19.746
  480    HD2  HIS  64           HD2      HIS  64 -13.834  -1.996 -19.977
  481    HE1  HIS  64           HE1      HIS  64 -11.015   0.467 -21.969
  482    HE2  HIS  64           HE2      HIS  64 -12.341  -1.668 -22.063
  483    H    HIS  65           H        HIS  65 -15.076  -1.279 -16.749
  484    HA   HIS  65           HA       HIS  65 -17.782  -1.877 -17.319
  485   1HB   HIS  65          2HB       HIS  65 -16.814  -2.350 -19.580
  486   2HB   HIS  65          1HB       HIS  65 -15.783  -3.574 -18.846
  487    HD1  HIS  65           HD1      HIS  65 -16.865  -5.839 -18.260
  488    HD2  HIS  65           HD2      HIS  65 -19.556  -3.043 -19.759
  489    HE1  HIS  65           HE1      HIS  65 -18.963  -7.118 -18.763
  490    HE2  HIS  65           HE2      HIS  65 -20.588  -5.409 -19.629
  491    H    HIS  66           H        HIS  66 -18.504  -3.310 -15.817
  492    HA   HIS  66           HA       HIS  66 -16.470  -4.749 -14.229
  493   1HB   HIS  66          2HB       HIS  66 -18.196  -4.801 -12.421
  494   2HB   HIS  66          1HB       HIS  66 -17.686  -3.178 -12.869
  495    HD1  HIS  66           HD1      HIS  66 -19.511  -1.573 -13.315
  496    HD2  HIS  66           HD2      HIS  66 -20.807  -5.507 -13.650
  497    HE1  HIS  66           HE1      HIS  66 -21.987  -1.433 -13.695
  498    HE2  HIS  66           HE2      HIS  66 -22.773  -3.822 -13.688
  499    H    HIS  67           H        HIS  67 -17.022  -6.859 -13.392
  500    HA   HIS  67           HA       HIS  67 -18.231  -8.583 -15.333
  501   1HB   HIS  67          2HB       HIS  67 -17.789 -10.336 -13.454
  502   2HB   HIS  67          1HB       HIS  67 -16.418  -9.570 -14.248
  503    HD1  HIS  67           HD1      HIS  67 -18.432  -9.252 -11.043
  504    HD2  HIS  67           HD2      HIS  67 -14.673  -8.340 -12.545
  505    HE1  HIS  67           HE1      HIS  67 -17.121  -8.386  -9.086
  506    HE2  HIS  67           HE2      HIS  67 -14.922  -7.660 -10.065
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1  -8.995  27.282   1.076
    2   2H    MET   1          2H        MET   1  -8.069  25.891   1.310
    3   3H    MET   1          3H        MET   1  -9.344  25.878   0.203
    4    HA   MET   1           HA       MET   1  -8.224  27.441  -1.207
    5   1HB   MET   1          2HB       MET   1  -7.071  28.595   0.700
    6   2HB   MET   1          1HB       MET   1  -5.932  27.259   0.767
    7   1HG   MET   1          2HG       MET   1  -6.348  29.095  -1.589
    8   2HG   MET   1          1HG       MET   1  -5.024  29.195  -0.427
    9   1HE   MET   1          1HE       MET   1  -3.274  27.929  -3.717
   10   2HE   MET   1          2HE       MET   1  -3.288  29.175  -2.468
   11   3HE   MET   1          3HE       MET   1  -4.627  29.055  -3.610
   12    H    THR   2           H        THR   2  -6.310  24.995   0.593
   13    HA   THR   2           HA       THR   2  -4.930  24.038  -1.695
   14    HB   THR   2           HB       THR   2  -4.212  22.154  -0.253
   15    HG1  THR   2           HG1      THR   2  -4.959  22.447   2.059
   16   1HG2  THR   2          1HG2      THR   2  -4.105  24.857   1.105
   17   2HG2  THR   2          2HG2      THR   2  -2.998  24.280  -0.141
   18   3HG2  THR   2          3HG2      THR   2  -3.035  23.494   1.437
   19    H    ILE   3           H        ILE   3  -5.205  22.225  -2.951
   20    HA   ILE   3           HA       ILE   3  -7.890  21.045  -3.003
   21    HB   ILE   3           HB       ILE   3  -7.226  20.098  -5.183
   22   1HG1  ILE   3          2HG1      ILE   3  -4.608  21.563  -4.719
   23   2HG1  ILE   3          1HG1      ILE   3  -4.814  19.815  -4.718
   24   1HG2  ILE   3          1HG2      ILE   3  -7.112  22.205  -6.421
   25   2HG2  ILE   3          2HG2      ILE   3  -6.681  23.058  -4.938
   26   3HG2  ILE   3          3HG2      ILE   3  -8.267  22.302  -5.093
   27   1HD1  ILE   3          1HD1      ILE   3  -3.869  20.490  -6.803
   28   2HD1  ILE   3          2HD1      ILE   3  -5.147  21.677  -7.057
   29   3HD1  ILE   3          3HD1      ILE   3  -5.526  19.954  -7.087
   30    H    GLN   4           H        GLN   4  -5.090  20.390  -1.480
   31    HA   GLN   4           HA       GLN   4  -4.252  18.627  -0.351
   32   1HB   GLN   4          2HB       GLN   4  -6.650  17.099  -1.380
   33   2HB   GLN   4          1HB       GLN   4  -5.532  16.521  -0.152
   34   1HG   GLN   4          2HG       GLN   4  -6.186  18.411   1.296
   35   2HG   GLN   4          1HG       GLN   4  -7.348  18.920   0.071
   36   1HE2  GLN   4          1HE2      GLN   4  -8.072  16.137  -0.584
   37   2HE2  GLN   4          2HE2      GLN   4  -9.059  15.593   0.721
   38    H    ALA   5           H        ALA   5  -5.642  17.047  -3.228
   39    HA   ALA   5           HA       ALA   5  -4.763  15.600  -4.750
   40   1HB   ALA   5          1HB       ALA   5  -3.695  17.710  -5.481
   41   2HB   ALA   5          2HB       ALA   5  -2.728  16.285  -5.856
   42   3HB   ALA   5          3HB       ALA   5  -2.289  17.313  -4.493
   43    HA   PRO   6           HA       PRO   6  -2.404  13.265  -1.418
   44   1HB   PRO   6          2HB       PRO   6  -4.621  11.336  -1.595
   45   2HB   PRO   6          1HB       PRO   6  -3.945  12.136  -0.174
   46   1HG   PRO   6          2HG       PRO   6  -6.387  12.759  -1.136
   47   2HG   PRO   6          1HG       PRO   6  -5.336  13.970  -0.376
   48   1HD   PRO   6          2HD       PRO   6  -5.831  13.455  -3.297
   49   2HD   PRO   6          1HD       PRO   6  -5.723  15.005  -2.428
   50    H    GLU   7           H        GLU   7  -0.875  12.809  -3.014
   51    HA   GLU   7           HA       GLU   7  -0.937  11.359  -5.284
   52   1HB   GLU   7          2HB       GLU   7   1.129  12.293  -4.515
   53   2HB   GLU   7          1HB       GLU   7   1.147  11.248  -3.101
   54   1HG   GLU   7          2HG       GLU   7   2.764  10.516  -4.782
   55   2HG   GLU   7          1HG       GLU   7   1.523   9.298  -4.511
   56    H    THR   8           H        THR   8  -2.107   9.607  -5.672
   57    HA   THR   8           HA       THR   8  -2.120   7.360  -3.773
   58    HB   THR   8           HB       THR   8  -3.897   7.946  -6.157
   59    HG1  THR   8           HG1      THR   8  -4.172   9.178  -4.147
   60   1HG2  THR   8          1HG2      THR   8  -4.054   5.653  -4.183
   61   2HG2  THR   8          2HG2      THR   8  -3.598   5.520  -5.882
   62   3HG2  THR   8          3HG2      THR   8  -5.232   6.013  -5.444
   63    H    LYS   9           H        LYS   9  -0.532   5.927  -4.118
   64    HA   LYS   9           HA       LYS   9   0.435   5.480  -6.858
   65   1HB   LYS   9          2HB       LYS   9   1.796   4.784  -4.241
   66   2HB   LYS   9          1HB       LYS   9   2.502   4.688  -5.853
   67   1HG   LYS   9          2HG       LYS   9   2.315   7.100  -6.101
   68   2HG   LYS   9          1HG       LYS   9   1.562   7.213  -4.513
   69   1HD   LYS   9          2HD       LYS   9   3.775   7.795  -4.070
   70   2HD   LYS   9          1HD       LYS   9   3.751   6.079  -3.665
   71   1HE   LYS   9          2HE       LYS   9   4.622   7.164  -6.345
   72   2HE   LYS   9          1HE       LYS   9   5.729   6.843  -5.016
   73   1HZ   LYS   9          1HZ       LYS   9   5.100   4.516  -5.093
   74   2HZ   LYS   9          2HZ       LYS   9   5.662   5.022  -6.604
   75   3HZ   LYS   9          3HZ       LYS   9   4.008   4.820  -6.350
   76    H    ILE  10           H        ILE  10  -0.981   3.989  -7.587
   77    HA   ILE  10           HA       ILE  10  -1.728   1.670  -6.046
   78    HB   ILE  10           HB       ILE  10  -2.233   2.295  -8.968
   79   1HG1  ILE  10          2HG1      ILE  10  -3.984   2.661  -6.520
   80   2HG1  ILE  10          1HG1      ILE  10  -3.193   3.954  -7.415
   81   1HG2  ILE  10          1HG2      ILE  10  -2.419  -0.100  -8.511
   82   2HG2  ILE  10          2HG2      ILE  10  -4.005   0.603  -8.825
   83   3HG2  ILE  10          3HG2      ILE  10  -3.520   0.231  -7.172
   84   1HD1  ILE  10          1HD1      ILE  10  -4.542   3.386  -9.384
   85   2HD1  ILE  10          2HD1      ILE  10  -5.528   3.832  -7.991
   86   3HD1  ILE  10          3HD1      ILE  10  -5.358   2.137  -8.443
   87    H    VAL  11           H        VAL  11  -0.102   0.300  -5.631
   88    HA   VAL  11           HA       VAL  11   1.778  -0.452  -7.776
   89    HB   VAL  11           HB       VAL  11   3.279  -1.209  -5.969
   90   1HG1  VAL  11          1HG1      VAL  11   3.847   1.012  -5.073
   91   2HG1  VAL  11          2HG1      VAL  11   2.286   1.627  -5.619
   92   3HG1  VAL  11          3HG1      VAL  11   3.478   1.076  -6.796
   93   1HG2  VAL  11          1HG2      VAL  11   2.750  -0.665  -3.617
   94   2HG2  VAL  11          2HG2      VAL  11   1.620  -1.837  -4.294
   95   3HG2  VAL  11          3HG2      VAL  11   1.136  -0.151  -4.109
   96    H    ASP  12           H        ASP  12   2.522  -2.706  -7.857
   97    HA   ASP  12           HA       ASP  12   0.323  -4.576  -7.398
   98   1HB   ASP  12          2HB       ASP  12   2.964  -4.975  -8.823
   99   2HB   ASP  12          1HB       ASP  12   1.645  -6.140  -8.776
  100    H    LYS  13           H        LYS  13   2.733  -3.502  -5.502
  101    HA   LYS  13           HA       LYS  13   3.351  -6.149  -4.329
  102   1HB   LYS  13          2HB       LYS  13   5.014  -3.621  -4.197
  103   2HB   LYS  13          1HB       LYS  13   5.441  -5.179  -3.497
  104   1HG   LYS  13          2HG       LYS  13   5.534  -6.156  -5.744
  105   2HG   LYS  13          1HG       LYS  13   5.113  -4.589  -6.436
  106   1HD   LYS  13          2HD       LYS  13   7.516  -4.953  -6.579
  107   2HD   LYS  13          1HD       LYS  13   7.168  -3.623  -5.471
  108   1HE   LYS  13          2HE       LYS  13   8.901  -5.080  -4.569
  109   2HE   LYS  13          1HE       LYS  13   7.452  -5.140  -3.565
  110   1HZ   LYS  13          1HZ       LYS  13   8.451  -7.342  -3.982
  111   2HZ   LYS  13          2HZ       LYS  13   8.144  -7.158  -5.636
  112   3HZ   LYS  13          3HZ       LYS  13   6.858  -7.237  -4.544
  113    H    SER  14           H        SER  14   3.437  -6.327  -2.040
  114    HA   SER  14           HA       SER  14   1.710  -4.444  -0.624
  115   1HB   SER  14          2HB       SER  14   2.974  -7.018   0.372
  116   2HB   SER  14          1HB       SER  14   1.755  -6.067   1.221
  117    HG   SER  14           HG       SER  14   0.233  -6.759  -0.127
  118    H    ARG  15           H        ARG  15   5.079  -5.159  -0.912
  119    HA   ARG  15           HA       ARG  15   5.680  -3.388   1.373
  120   1HB   ARG  15          2HB       ARG  15   7.352  -5.588   0.137
  121   2HB   ARG  15          1HB       ARG  15   7.893  -4.524   1.431
  122   1HG   ARG  15          2HG       ARG  15   6.219  -5.376   2.918
  123   2HG   ARG  15          1HG       ARG  15   5.482  -6.316   1.622
  124   1HD   ARG  15          2HD       ARG  15   7.449  -7.723   1.479
  125   2HD   ARG  15          1HD       ARG  15   8.278  -6.730   2.680
  126    HE   ARG  15           HE       ARG  15   6.348  -7.453   4.190
  127   1HH1  ARG  15          1HH1      ARG  15   7.654  -9.421   1.687
  128   2HH1  ARG  15          2HH1      ARG  15   7.240 -10.897   2.481
  129   1HH2  ARG  15          1HH2      ARG  15   5.814  -9.357   5.202
  130   2HH2  ARG  15          2HH2      ARG  15   6.202 -10.859   4.439
  131    H    VAL  16           H        VAL  16   6.248  -1.419   0.789
  132    HA   VAL  16           HA       VAL  16   7.779  -1.011  -1.713
  133    HB   VAL  16           HB       VAL  16   5.674   0.862  -0.588
  134   1HG1  VAL  16          1HG1      VAL  16   5.957   2.083  -2.707
  135   2HG1  VAL  16          2HG1      VAL  16   7.252   0.977  -3.166
  136   3HG1  VAL  16          3HG1      VAL  16   7.453   2.041  -1.774
  137   1HG2  VAL  16          1HG2      VAL  16   4.317   0.216  -2.538
  138   2HG2  VAL  16          2HG2      VAL  16   4.649  -1.164  -1.491
  139   3HG2  VAL  16          3HG2      VAL  16   5.545  -0.965  -2.998
  140    H    ALA  17           H        ALA  17   9.534   0.332  -1.622
  141    HA   ALA  17           HA       ALA  17  10.544   1.123   0.959
  142   1HB   ALA  17          1HB       ALA  17  12.517   1.868  -0.273
  143   2HB   ALA  17          2HB       ALA  17  11.664   1.630  -1.800
  144   3HB   ALA  17          3HB       ALA  17  12.031   0.247  -0.768
  145    H    CYS  18           H        CYS  18   9.468   2.815   1.866
  146    HA   CYS  18           HA       CYS  18   8.684   5.145   0.370
  147   1HB   CYS  18          2HB       CYS  18   7.365   4.392   2.296
  148   2HB   CYS  18          1HB       CYS  18   8.739   4.679   3.360
  149    HG   CYS  18           HG       CYS  18   6.963   7.056   1.661
  150    H    ASP  19           H        ASP  19   9.268   7.335   1.468
  151    HA   ASP  19           HA       ASP  19  12.205   7.516   1.381
  152   1HB   ASP  19          2HB       ASP  19  11.594   9.968   0.712
  153   2HB   ASP  19          1HB       ASP  19  11.424   8.673  -0.473
  154    H    GLY  20           H        GLY  20   9.756   7.728   3.639
  155   1HA   GLY  20          2HA       GLY  20  11.269   9.755   5.186
  156   2HA   GLY  20          1HA       GLY  20   9.520   9.681   5.204
  157    H    GLY  21           H        GLY  21  11.774   9.356   7.262
  158   1HA   GLY  21          2HA       GLY  21  10.606   6.975   8.580
  159   2HA   GLY  21          1HA       GLY  21  12.348   7.199   8.542
  160    H    GLU  22           H        GLU  22  12.519   9.910   9.017
  161    HA   GLU  22           HA       GLU  22  10.958  10.848  11.201
  162   1HB   GLU  22          2HB       GLU  22  12.194   9.207  12.503
  163   2HB   GLU  22          1HB       GLU  22  13.722   9.762  11.836
  164   1HG   GLU  22          2HG       GLU  22  13.410  11.926  12.965
  165   2HG   GLU  22          1HG       GLU  22  11.899  11.336  13.653
  166    H    GLY  23           H        GLY  23  11.689  13.006  11.923
  167   1HA   GLY  23          2HA       GLY  23  12.518  14.788  10.032
  168   2HA   GLY  23          1HA       GLY  23  12.796  15.024  11.748
  169    H    ALA  24           H        ALA  24  14.754  13.417  12.474
  170    HA   ALA  24           HA       ALA  24  17.064  14.363  10.986
  171   1HB   ALA  24          1HB       ALA  24  17.058  14.476  13.424
  172   2HB   ALA  24          2HB       ALA  24  18.372  13.455  12.840
  173   3HB   ALA  24          3HB       ALA  24  16.916  12.721  13.515
  174    H    LEU  25           H        LEU  25  15.138  11.645  10.749
  175    HA   LEU  25           HA       LEU  25  17.323  10.041   9.569
  176   1HB   LEU  25          2HB       LEU  25  14.700   9.088  10.743
  177   2HB   LEU  25          1HB       LEU  25  15.869   8.057   9.941
  178    HG   LEU  25           HG       LEU  25  16.336   9.571  12.521
  179   1HD1  LEU  25          1HD1      LEU  25  15.925   6.623  12.025
  180   2HD1  LEU  25          2HD1      LEU  25  14.778   7.717  12.798
  181   3HD1  LEU  25          3HD1      LEU  25  16.323   7.367  13.574
  182   1HD2  LEU  25          1HD2      LEU  25  18.425   8.301  12.648
  183   2HD2  LEU  25          2HD2      LEU  25  18.388   9.337  11.224
  184   3HD2  LEU  25          3HD2      LEU  25  18.103   7.605  11.058
  185    H    GLY  26           H        GLY  26  16.360  12.020   8.052
  186   1HA   GLY  26          2HA       GLY  26  14.087  11.343   6.472
  187   2HA   GLY  26          1HA       GLY  26  15.286  12.564   6.089
  188    H    HIS  27           H        HIS  27  13.865  10.012   4.791
  189    HA   HIS  27           HA       HIS  27  14.321   8.513   3.148
  190   1HB   HIS  27          2HB       HIS  27  16.434  10.600   2.544
  191   2HB   HIS  27          1HB       HIS  27  15.995   9.294   1.443
  192    HD1  HIS  27           HD1      HIS  27  13.912  11.825   3.413
  193    HD2  HIS  27           HD2      HIS  27  14.338  10.325  -0.434
  194    HE1  HIS  27           HE1      HIS  27  12.028  12.826   2.102
  195    HE2  HIS  27           HE2      HIS  27  12.480  12.117  -0.278
  196    HA   PRO  28           HA       PRO  28  17.977   6.402   5.065
  197   1HB   PRO  28          2HB       PRO  28  16.992   5.260   7.234
  198   2HB   PRO  28          1HB       PRO  28  17.258   7.008   7.213
  199   1HG   PRO  28          2HG       PRO  28  14.705   5.479   7.000
  200   2HG   PRO  28          1HG       PRO  28  15.011   7.054   7.749
  201   1HD   PRO  28          2HD       PRO  28  14.010   6.542   5.108
  202   2HD   PRO  28          1HD       PRO  28  14.414   8.117   5.825
  203    H    ARG  29           H        ARG  29  15.585   5.469   3.206
  204    HA   ARG  29           HA       ARG  29  14.726   3.700   2.275
  205   1HB   ARG  29          2HB       ARG  29  17.446   2.936   2.984
  206   2HB   ARG  29          1HB       ARG  29  16.354   1.602   2.724
  207   1HG   ARG  29          2HG       ARG  29  16.389   3.828   0.765
  208   2HG   ARG  29          1HG       ARG  29  17.651   2.621   0.737
  209   1HD   ARG  29          2HD       ARG  29  14.758   1.864   0.730
  210   2HD   ARG  29          1HD       ARG  29  15.622   2.241  -0.758
  211    HE   ARG  29           HE       ARG  29  16.695   0.188   1.038
  212   1HH1  ARG  29          1HH1      ARG  29  15.199   0.959  -1.963
  213   2HH1  ARG  29          2HH1      ARG  29  15.621  -0.558  -2.675
  214   1HH2  ARG  29          1HH2      ARG  29  17.201  -1.740   0.127
  215   2HH2  ARG  29          2HH2      ARG  29  16.743  -2.075  -1.508
  216    H    VAL  30           H        VAL  30  13.015   3.608   3.359
  217    HA   VAL  30           HA       VAL  30  12.752   1.575   5.509
  218    HB   VAL  30           HB       VAL  30  10.748   2.857   6.316
  219   1HG1  VAL  30          1HG1      VAL  30  12.885   3.067   7.466
  220   2HG1  VAL  30          2HG1      VAL  30  12.023   4.609   7.474
  221   3HG1  VAL  30          3HG1      VAL  30  13.370   4.357   6.362
  222   1HG2  VAL  30          1HG2      VAL  30  10.484   5.197   5.639
  223   2HG2  VAL  30          2HG2      VAL  30  10.269   4.113   4.266
  224   3HG2  VAL  30          3HG2      VAL  30  11.776   5.009   4.454
  225    H    TRP  31           H        TRP  31  11.502  -0.125   5.011
  226    HA   TRP  31           HA       TRP  31   9.747   0.063   2.657
  227   1HB   TRP  31          2HB       TRP  31  10.952  -2.332   4.067
  228   2HB   TRP  31          1HB       TRP  31   9.816  -2.449   2.724
  229    HD1  TRP  31           HD1      TRP  31  13.263  -0.749   3.385
  230    HE1  TRP  31           HE1      TRP  31  14.655  -0.908   1.224
  231    HE3  TRP  31           HE3      TRP  31   9.827  -3.070   0.391
  232    HZ2  TRP  31           HZ2      TRP  31  14.335  -1.914  -1.401
  233    HZ3  TRP  31           HZ3      TRP  31  10.452  -3.604  -1.931
  234    HH2  TRP  31           HH2      TRP  31  12.661  -3.035  -2.805
  235    H    LEU  32           H        LEU  32   7.674   0.417   3.037
  236    HA   LEU  32           HA       LEU  32   6.493  -0.279   5.622
  237   1HB   LEU  32          2HB       LEU  32   5.651   1.505   3.359
  238   2HB   LEU  32          1HB       LEU  32   4.476   0.977   4.548
  239    HG   LEU  32           HG       LEU  32   5.829   2.026   6.339
  240   1HD1  LEU  32          1HD1      LEU  32   7.628   3.588   5.739
  241   2HD1  LEU  32          2HD1      LEU  32   7.550   3.018   4.071
  242   3HD1  LEU  32          3HD1      LEU  32   8.036   1.915   5.359
  243   1HD2  LEU  32          1HD2      LEU  32   5.097   3.887   4.076
  244   2HD2  LEU  32          2HD2      LEU  32   5.318   4.348   5.765
  245   3HD2  LEU  32          3HD2      LEU  32   4.002   3.269   5.310
  246    H    GLN  33           H        GLN  33   4.558  -1.447   5.832
  247    HA   GLN  33           HA       GLN  33   4.096  -3.435   3.700
  248   1HB   GLN  33          2HB       GLN  33   4.783  -4.331   5.910
  249   2HB   GLN  33          1HB       GLN  33   3.398  -3.542   6.655
  250   1HG   GLN  33          2HG       GLN  33   2.728  -5.767   6.407
  251   2HG   GLN  33          1HG       GLN  33   1.960  -4.933   5.056
  252   1HE2  GLN  33          1HE2      GLN  33   1.809  -6.722   3.737
  253   2HE2  GLN  33          2HE2      GLN  33   3.189  -7.509   3.057
  254    H    ILE  34           H        ILE  34   2.277  -3.237   2.543
  255    HA   ILE  34           HA       ILE  34   0.026  -1.657   3.452
  256    HB   ILE  34           HB       ILE  34   0.348  -3.347   0.955
  257   1HG1  ILE  34          2HG1      ILE  34   0.515  -0.336   1.323
  258   2HG1  ILE  34          1HG1      ILE  34   1.894  -1.401   1.081
  259   1HG2  ILE  34          1HG2      ILE  34  -1.626  -2.101   0.123
  260   2HG2  ILE  34          2HG2      ILE  34  -1.810  -1.368   1.716
  261   3HG2  ILE  34          3HG2      ILE  34  -2.001  -3.110   1.519
  262   1HD1  ILE  34          1HD1      ILE  34  -0.329  -0.900  -0.883
  263   2HD1  ILE  34          2HD1      ILE  34   1.031  -1.996  -1.131
  264   3HD1  ILE  34          3HD1      ILE  34   1.313  -0.262  -0.969
  265    HA   PRO  35           HA       PRO  35  -1.690  -5.399   5.324
  266   1HB   PRO  35          2HB       PRO  35  -3.421  -4.227   6.959
  267   2HB   PRO  35          1HB       PRO  35  -1.685  -4.000   7.211
  268   1HG   PRO  35          2HG       PRO  35  -3.645  -2.175   5.844
  269   2HG   PRO  35          1HG       PRO  35  -2.442  -1.769   7.080
  270   1HD   PRO  35          2HD       PRO  35  -2.027  -1.423   4.389
  271   2HD   PRO  35          1HD       PRO  35  -0.715  -1.715   5.549
  272    H    GLU  36           H        GLU  36  -3.397  -6.724   4.752
  273    HA   GLU  36           HA       GLU  36  -5.422  -5.864   2.940
  274   1HB   GLU  36          2HB       GLU  36  -4.945  -8.382   4.505
  275   2HB   GLU  36          1HB       GLU  36  -6.482  -8.148   3.687
  276   1HG   GLU  36          2HG       GLU  36  -3.778  -8.069   2.352
  277   2HG   GLU  36          1HG       GLU  36  -4.876  -9.449   2.351
  278    H    ASP  37           H        ASP  37  -5.083  -5.345   6.220
  279    HA   ASP  37           HA       ASP  37  -7.771  -5.184   7.070
  280   1HB   ASP  37          2HB       ASP  37  -5.837  -5.021   8.600
  281   2HB   ASP  37          1HB       ASP  37  -5.375  -3.492   7.861
  282    H    THR  38           H        THR  38  -5.626  -2.539   5.983
  283    HA   THR  38           HA       THR  38  -7.920  -0.830   5.367
  284    HB   THR  38           HB       THR  38  -6.234   0.942   5.012
  285    HG1  THR  38           HG1      THR  38  -4.069   0.507   5.164
  286   1HG2  THR  38          1HG2      THR  38  -5.353   1.061   7.319
  287   2HG2  THR  38          2HG2      THR  38  -5.822  -0.621   7.572
  288   3HG2  THR  38          3HG2      THR  38  -7.056   0.608   7.287
  289    H    GLY  39           H        GLY  39  -5.053  -2.132   3.682
  290   1HA   GLY  39          2HA       GLY  39  -5.069  -2.838   1.402
  291   2HA   GLY  39          1HA       GLY  39  -6.444  -1.786   1.111
  292    H    TRP  40           H        TRP  40  -4.273  -0.114   2.961
  293    HA   TRP  40           HA       TRP  40  -2.561   0.883   0.848
  294   1HB   TRP  40          2HB       TRP  40  -3.433   3.199   0.966
  295   2HB   TRP  40          1HB       TRP  40  -4.642   2.074   0.353
  296    HD1  TRP  40           HD1      TRP  40  -6.718   1.480   1.993
  297    HE1  TRP  40           HE1      TRP  40  -7.732   2.772   3.978
  298    HE3  TRP  40           HE3      TRP  40  -2.880   4.746   2.880
  299    HZ2  TRP  40           HZ2      TRP  40  -7.006   4.905   5.677
  300    HZ3  TRP  40           HZ3      TRP  40  -3.124   6.378   4.704
  301    HH2  TRP  40           HH2      TRP  40  -5.141   6.455   6.071
  302    H    VAL  41           H        VAL  41  -1.074   2.609   1.642
  303    HA   VAL  41           HA       VAL  41  -1.054   3.094   4.534
  304    HB   VAL  41           HB       VAL  41   0.360   1.074   4.174
  305   1HG1  VAL  41          1HG1      VAL  41   2.530   1.290   3.036
  306   2HG1  VAL  41          2HG1      VAL  41   2.083   2.913   2.507
  307   3HG1  VAL  41          3HG1      VAL  41   1.170   1.517   1.933
  308   1HG2  VAL  41          1HG2      VAL  41   1.869   3.538   5.056
  309   2HG2  VAL  41          2HG2      VAL  41   2.324   1.872   5.416
  310   3HG2  VAL  41          3HG2      VAL  41   0.821   2.533   6.057
  311    H    GLU  42           H        GLU  42   0.259   5.008   5.111
  312    HA   GLU  42           HA       GLU  42   0.775   6.708   2.745
  313   1HB   GLU  42          2HB       GLU  42  -0.144   8.633   3.963
  314   2HB   GLU  42          1HB       GLU  42  -1.338   7.365   3.735
  315   1HG   GLU  42          2HG       GLU  42  -1.043   6.647   6.043
  316   2HG   GLU  42          1HG       GLU  42   0.196   7.879   6.281
  317    H    CYS  43           H        CYS  43   2.423   8.184   2.806
  318    HA   CYS  43           HA       CYS  43   4.350   7.969   5.018
  319   1HB   CYS  43          2HB       CYS  43   5.372   7.558   2.881
  320   2HB   CYS  43          1HB       CYS  43   4.633   8.994   2.183
  321    HG   CYS  43           HG       CYS  43   7.464   9.286   2.580
  322    HA   PRO  44           HA       PRO  44   2.537  12.000   6.065
  323   1HB   PRO  44          2HB       PRO  44   3.341  12.073   8.640
  324   2HB   PRO  44          1HB       PRO  44   2.001  11.052   8.104
  325   1HG   PRO  44          2HG       PRO  44   4.844  10.308   8.676
  326   2HG   PRO  44          1HG       PRO  44   3.355   9.437   9.084
  327   1HD   PRO  44          2HD       PRO  44   4.969   8.820   6.938
  328   2HD   PRO  44          1HD       PRO  44   3.240   8.432   7.020
  329    H    TYR  45           H        TYR  45   5.712  11.160   5.545
  330    HA   TYR  45           HA       TYR  45   6.923  13.576   6.642
  331   1HB   TYR  45          2HB       TYR  45   8.233  11.338   5.072
  332   2HB   TYR  45          1HB       TYR  45   9.047  12.588   6.013
  333    HD1  TYR  45           HD2      TYR  45   9.000  12.537   8.463
  334    HD2  TYR  45           HD1      TYR  45   7.186   9.435   6.182
  335    HE1  TYR  45           HE2      TYR  45   8.877  11.134  10.477
  336    HE2  TYR  45           HE1      TYR  45   7.051   8.028   8.193
  337    HH   TYR  45           HH       TYR  45   8.241   7.843  10.402
  338    H    CYS  46           H        CYS  46   7.227  12.026   3.410
  339    HA   CYS  46           HA       CYS  46   7.273  14.733   2.243
  340   1HB   CYS  46          2HB       CYS  46   9.217  13.263   1.784
  341   2HB   CYS  46          1HB       CYS  46   8.142  12.120   0.986
  342    HG   CYS  46           HG       CYS  46   7.950  13.332  -1.302
  343    H    ASP  47           H        ASP  47   5.001  12.528   2.868
  344    HA   ASP  47           HA       ASP  47   2.846  12.316   2.233
  345   1HB   ASP  47          2HB       ASP  47   3.494  14.548   0.299
  346   2HB   ASP  47          1HB       ASP  47   1.876  13.918   0.593
  347    H    CYS  48           H        CYS  48   2.747  10.300   1.472
  348    HA   CYS  48           HA       CYS  48   2.220   9.969  -1.337
  349   1HB   CYS  48          2HB       CYS  48   4.640   8.655  -0.104
  350   2HB   CYS  48          1HB       CYS  48   3.814   7.934  -1.479
  351    HG   CYS  48           HG       CYS  48   5.271  11.033  -1.462
  352    H    LYS  49           H        LYS  49   0.425   8.742  -1.398
  353    HA   LYS  49           HA       LYS  49  -0.071   6.805   0.768
  354   1HB   LYS  49          2HB       LYS  49  -1.847   8.439   0.371
  355   2HB   LYS  49          1HB       LYS  49  -1.932   7.972  -1.322
  356   1HG   LYS  49          2HG       LYS  49  -2.661   5.712  -0.645
  357   2HG   LYS  49          1HG       LYS  49  -2.631   6.230   1.042
  358   1HD   LYS  49          2HD       LYS  49  -4.339   7.923   0.554
  359   2HD   LYS  49          1HD       LYS  49  -4.354   7.426  -1.139
  360   1HE   LYS  49          2HE       LYS  49  -5.120   5.189  -0.473
  361   2HE   LYS  49          1HE       LYS  49  -5.098   5.683   1.218
  362   1HZ   LYS  49          1HZ       LYS  49  -7.325   5.783   0.296
  363   2HZ   LYS  49          2HZ       LYS  49  -6.809   6.859  -0.900
  364   3HZ   LYS  49          3HZ       LYS  49  -6.793   7.332   0.723
  365    H    TYR  50           H        TYR  50   0.585   4.776   0.332
  366    HA   TYR  50           HA       TYR  50   0.837   3.861  -2.432
  367   1HB   TYR  50          2HB       TYR  50   1.659   2.406   0.097
  368   2HB   TYR  50          1HB       TYR  50   2.196   2.080  -1.549
  369    HD1  TYR  50           HD2      TYR  50   2.563   4.281   1.368
  370    HD2  TYR  50           HD1      TYR  50   3.896   3.497  -2.606
  371    HE1  TYR  50           HE2      TYR  50   4.476   5.783   1.717
  372    HE2  TYR  50           HE1      TYR  50   5.813   5.000  -2.254
  373    HH   TYR  50           HH       TYR  50   6.517   6.806  -0.872
  374    H    VAL  51           H        VAL  51  -1.029   3.073  -3.260
  375    HA   VAL  51           HA       VAL  51  -2.796   1.441  -1.554
  376    HB   VAL  51           HB       VAL  51  -3.300   2.647  -4.288
  377   1HG1  VAL  51          1HG1      VAL  51  -4.570   0.571  -3.970
  378   2HG1  VAL  51          2HG1      VAL  51  -5.633   1.977  -3.975
  379   3HG1  VAL  51          3HG1      VAL  51  -5.215   1.193  -2.450
  380   1HG2  VAL  51          1HG2      VAL  51  -4.807   4.173  -3.094
  381   2HG2  VAL  51          2HG2      VAL  51  -3.150   4.323  -2.511
  382   3HG2  VAL  51          3HG2      VAL  51  -4.343   3.438  -1.557
  383    H    LEU  52           H        LEU  52  -3.016  -0.719  -1.822
  384    HA   LEU  52           HA       LEU  52  -1.339  -2.080  -3.745
  385   1HB   LEU  52          2HB       LEU  52  -1.504  -2.963  -1.499
  386   2HB   LEU  52          1HB       LEU  52  -3.245  -3.122  -1.645
  387    HG   LEU  52           HG       LEU  52  -2.913  -4.848  -3.399
  388   1HD1  LEU  52          1HD1      LEU  52   0.010  -4.578  -2.690
  389   2HD1  LEU  52          2HD1      LEU  52  -0.735  -4.144  -4.230
  390   3HD1  LEU  52          3HD1      LEU  52  -0.691  -5.830  -3.715
  391   1HD2  LEU  52          1HD2      LEU  52  -1.533  -5.407  -0.774
  392   2HD2  LEU  52          2HD2      LEU  52  -2.159  -6.623  -1.887
  393   3HD2  LEU  52          3HD2      LEU  52  -3.267  -5.511  -1.083
  394    H    LYS  53           H        LYS  53  -1.928  -2.547  -5.749
  395    HA   LYS  53           HA       LYS  53  -4.594  -2.386  -6.731
  396   1HB   LYS  53          2HB       LYS  53  -2.602  -1.963  -8.127
  397   2HB   LYS  53          1HB       LYS  53  -2.140  -3.651  -7.984
  398   1HG   LYS  53          2HG       LYS  53  -4.177  -4.313  -9.177
  399   2HG   LYS  53          1HG       LYS  53  -4.640  -2.612  -9.322
  400   1HD   LYS  53          2HD       LYS  53  -2.596  -2.165 -10.604
  401   2HD   LYS  53          1HD       LYS  53  -2.126  -3.858 -10.453
  402   1HE   LYS  53          2HE       LYS  53  -4.136  -4.515 -11.704
  403   2HE   LYS  53          1HE       LYS  53  -4.585  -2.815 -11.862
  404   1HZ   LYS  53          1HZ       LYS  53  -2.488  -2.455 -13.056
  405   2HZ   LYS  53          2HZ       LYS  53  -3.500  -3.545 -13.850
  406   3HZ   LYS  53          3HZ       LYS  53  -2.161  -4.115 -12.985
  407    H    GLY  54           H        GLY  54  -6.133  -3.813  -6.183
  408   1HA   GLY  54          2HA       GLY  54  -6.947  -6.119  -6.594
  409   2HA   GLY  54          1HA       GLY  54  -5.407  -6.684  -5.964
  410    H    SER  55           H        SER  55  -5.797  -4.287  -3.970
  411    HA   SER  55           HA       SER  55  -6.993  -5.880  -1.866
  412   1HB   SER  55          2HB       SER  55  -6.298  -4.134  -0.367
  413   2HB   SER  55          1HB       SER  55  -4.996  -4.357  -1.534
  414    HG   SER  55           HG       SER  55  -5.269  -2.373  -2.161
  415    H    LYS  56           H        LYS  56  -8.402  -4.320  -0.264
  416    HA   LYS  56           HA       LYS  56 -10.887  -3.940  -1.638
  417   1HB   LYS  56          2HB       LYS  56 -10.160  -3.138   1.187
  418   2HB   LYS  56          1HB       LYS  56 -11.786  -3.273   0.529
  419   1HG   LYS  56          2HG       LYS  56 -11.328  -5.706   0.142
  420   2HG   LYS  56          1HG       LYS  56  -9.820  -5.503   1.033
  421   1HD   LYS  56          2HD       LYS  56 -12.618  -5.051   2.073
  422   2HD   LYS  56          1HD       LYS  56 -11.516  -6.352   2.526
  423   1HE   LYS  56          2HE       LYS  56 -11.114  -3.403   3.053
  424   2HE   LYS  56          1HE       LYS  56 -11.560  -4.623   4.245
  425   1HZ   LYS  56          1HZ       LYS  56  -9.011  -4.542   2.721
  426   2HZ   LYS  56          2HZ       LYS  56  -9.440  -5.716   3.861
  427   3HZ   LYS  56          3HZ       LYS  56  -9.209  -4.115   4.345
  428    H    ALA  57           H        ALA  57  -8.210  -1.888  -1.010
  429    HA   ALA  57           HA       ALA  57  -9.624   0.591  -0.722
  430   1HB   ALA  57          1HB       ALA  57  -7.360   0.268   0.174
  431   2HB   ALA  57          2HB       ALA  57  -7.436   1.645  -0.925
  432   3HB   ALA  57          3HB       ALA  57  -6.733   0.120  -1.468
  433    H    ASP  58           H        ASP  58  -7.790  -0.867  -3.400
  434    HA   ASP  58           HA       ASP  58  -8.568   1.152  -5.283
  435   1HB   ASP  58          2HB       ASP  58  -6.453  -0.110  -5.466
  436   2HB   ASP  58          1HB       ASP  58  -7.363  -1.587  -5.764
  437    H    ALA  59           H        ALA  59  -9.792  -1.977  -4.312
  438    HA   ALA  59           HA       ALA  59 -11.524  -2.439  -6.501
  439   1HB   ALA  59          1HB       ALA  59 -12.571  -4.114  -5.096
  440   2HB   ALA  59          2HB       ALA  59 -11.782  -3.443  -3.668
  441   3HB   ALA  59          3HB       ALA  59 -10.815  -4.199  -4.935
  442    H    LEU  60           H        LEU  60 -12.087  -0.958  -3.316
  443    HA   LEU  60           HA       LEU  60 -13.736   0.340  -2.469
  444   1HB   LEU  60          2HB       LEU  60 -14.604   0.678  -5.345
  445   2HB   LEU  60          1HB       LEU  60 -15.242   1.593  -3.992
  446    HG   LEU  60           HG       LEU  60 -12.381   1.654  -4.976
  447   1HD1  LEU  60          1HD1      LEU  60 -14.559   3.743  -5.109
  448   2HD1  LEU  60          2HD1      LEU  60 -13.949   2.796  -6.468
  449   3HD1  LEU  60          3HD1      LEU  60 -12.890   3.943  -5.647
  450   1HD2  LEU  60          1HD2      LEU  60 -12.074   3.472  -3.354
  451   2HD2  LEU  60          2HD2      LEU  60 -12.477   1.952  -2.558
  452   3HD2  LEU  60          3HD2      LEU  60 -13.706   3.202  -2.745
  453    H    GLU  61           H        GLU  61 -14.763  -2.174  -4.698
  454    HA   GLU  61           HA       GLU  61 -17.344  -2.572  -3.462
  455   1HB   GLU  61          2HB       GLU  61 -15.857  -4.582  -5.150
  456   2HB   GLU  61          1HB       GLU  61 -17.593  -4.380  -4.974
  457   1HG   GLU  61          2HG       GLU  61 -17.593  -2.437  -6.336
  458   2HG   GLU  61          1HG       GLU  61 -15.830  -2.340  -6.304
  459    H    HIS  62           H        HIS  62 -14.762  -2.784  -1.810
  460    HA   HIS  62           HA       HIS  62 -13.389  -4.215  -0.699
  461   1HB   HIS  62          2HB       HIS  62 -14.503  -5.577   1.000
  462   2HB   HIS  62          1HB       HIS  62 -15.236  -3.988   0.880
  463    HD1  HIS  62           HD1      HIS  62 -15.903  -7.609   0.128
  464    HD2  HIS  62           HD2      HIS  62 -17.946  -3.991   0.284
  465    HE1  HIS  62           HE1      HIS  62 -18.335  -8.201  -0.041
  466    HE2  HIS  62           HE2      HIS  62 -19.554  -6.016   0.206
  467    H    HIS  63           H        HIS  63 -13.672  -4.882  -3.334
  468    HA   HIS  63           HA       HIS  63 -12.815  -6.380  -4.760
  469   1HB   HIS  63          2HB       HIS  63 -11.606  -7.272  -2.648
  470   2HB   HIS  63          1HB       HIS  63 -12.787  -8.578  -2.711
  471    HD1  HIS  63           HD1      HIS  63 -10.079  -7.011  -4.874
  472    HD2  HIS  63           HD2      HIS  63 -12.160 -10.587  -4.473
  473    HE1  HIS  63           HE1      HIS  63  -8.993  -8.601  -6.471
  474    HE2  HIS  63           HE2      HIS  63 -10.400 -10.675  -6.364
  475    H    HIS  64           H        HIS  64 -15.484  -7.535  -2.720
  476    HA   HIS  64           HA       HIS  64 -17.599  -8.148  -3.327
  477   1HB   HIS  64          2HB       HIS  64 -17.370  -6.386  -5.043
  478   2HB   HIS  64          1HB       HIS  64 -16.677  -7.555  -6.156
  479    HD1  HIS  64           HD1      HIS  64 -19.910  -6.358  -4.764
  480    HD2  HIS  64           HD2      HIS  64 -18.545  -9.346  -7.307
  481    HE1  HIS  64           HE1      HIS  64 -21.946  -7.206  -5.956
  482    HE2  HIS  64           HE2      HIS  64 -21.070  -8.900  -7.595
  483    H    HIS  65           H        HIS  65 -18.703 -10.082  -3.762
  484    HA   HIS  65           HA       HIS  65 -17.220 -12.449  -4.129
  485   1HB   HIS  65          2HB       HIS  65 -20.189 -11.975  -4.491
  486   2HB   HIS  65          1HB       HIS  65 -19.438 -13.563  -4.480
  487    HD1  HIS  65           HD1      HIS  65 -21.479 -11.854  -2.398
  488    HD2  HIS  65           HD2      HIS  65 -17.680 -13.431  -1.779
  489    HE1  HIS  65           HE1      HIS  65 -21.298 -12.221   0.076
  490    HE2  HIS  65           HE2      HIS  65 -19.064 -13.328   0.405
  491    H    HIS  66           H        HIS  66 -16.021 -12.668  -5.985
  492    HA   HIS  66           HA       HIS  66 -17.387 -12.403  -8.570
  493   1HB   HIS  66          2HB       HIS  66 -14.472 -12.817  -7.879
  494   2HB   HIS  66          1HB       HIS  66 -15.093 -12.844  -9.526
  495    HD1  HIS  66           HD1      HIS  66 -16.436 -10.529 -10.206
  496    HD2  HIS  66           HD2      HIS  66 -13.718 -10.324  -7.064
  497    HE1  HIS  66           HE1      HIS  66 -15.875  -8.099  -9.956
  498    HE2  HIS  66           HE2      HIS  66 -14.125  -8.016  -8.159
  499    H    HIS  67           H        HIS  67 -16.755 -14.765  -6.279
  500    HA   HIS  67           HA       HIS  67 -17.297 -16.901  -8.250
  501   1HB   HIS  67          2HB       HIS  67 -15.639 -17.089  -5.718
  502   2HB   HIS  67          1HB       HIS  67 -16.094 -18.463  -6.721
  503    HD1  HIS  67           HD1      HIS  67 -13.893 -15.431  -6.707
  504    HD2  HIS  67           HD2      HIS  67 -14.584 -18.801  -9.030
  505    HE1  HIS  67           HE1      HIS  67 -12.019 -15.490  -8.372
  506    HE2  HIS  67           HE2      HIS  67 -12.586 -17.404  -9.893