*HEADER    SIGNAL TRANSDUCTION PROTEIN             12-AUG-94   1GBR      
*COMPND    GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 (GRB2, N-TERMINAL      
*COMPND   2 SH3 DOMAIN) COMPLEXED WITH SOS-A PEPTIDE                     
*COMPND   3 (NMR, 29 STRUCTURES)                                         
*SOURCE    GRB2 N-TERMINAL SH3 DOMAIN: MOUSE (MUS MUSCULUS)              
*SOURCE   2 EXPRESSION SYSTEM: T7 PROMOTER, GLUTATHIONE-S-TRANSFERASE    
*SOURCE   3 FUSION, PLASMID: PGTX-2T (PHARMACIA), GENE: MOUSE GRB2;      
*SOURCE   4 SOS-A (RESIDUES (1264 - 1278) OF MOUSE SOS2 PROTEIN):        
*SOURCE   5 SYNTHETIC BASED ON MOUSE (MUS MUSCULUS)                      
*EXPDTA    NMR                                                           
*AUTHOR    M.WITTEKIND,C.MAPELLI,B.T.FARMER,K.-L.SUEN,V.GOLDFARB,        
*AUTHOR   2 J.TSAO,T.LAVOIE,M.BARBACID,C.A.MEYERS,L.MUELLER              
*REVDAT   1   12-OCT-04 1GBR    0   


! NOTE THAT THE RESULTING PDB STRUCTURES HAVE RESIDUE NUMBERS THAT HAVE
BEEN RENUMBERED TO AGREE
!   WITH THE PUBLISHED MOUSE GRB2 SEQUENCE (SUEN ET AL., 1993). THE
MOLECULE USED IN THE STRUCTURE
!   CALCULATIONS MATCHES THAT ACTUALLY USED IN THE NMR EXPERIMENTS (PDB
ENTRY RESIDUES GLY-8 TO SER0 AND
!   RESIDUES GLU60 TO ASP65 ARISE FROM THE CLONING VECTOR WHILE
RESIDUES MET1 THROUGH PRO59 ARE FROM 
!   THE GRB SEQUENCE.
! 
! THE STRUCTURES THAT RESULT FROM THE X-PLOR RUNS WERE RENUMBERED BY
SUBTRACTING 9. THIS RESULTS IN
!    THE CALCULATED STRUCTURES HAVING RESIDUES GLY1 TO ASP74 AND THE
REPORTED STRUCTURES HAVING
!    RESIDUES GLY-8 TO ASP65. 
!
assign ( segid SH3N and resid   8 and name HN   ) ( segid SH3N and
resid  8 and name HA*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid   8 and name HA*  ) ( segid SH3N and
resid  9 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid   8 and name HN   ) ( segid SH3N and
resid  9 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid   9 and name HA   ) ( segid SH3N and
resid  9 and name HB*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid   9 and name HN   ) ( segid SH3N and
resid  9 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid   9 and name HN   ) ( segid SH3N and
resid  9 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid   9 and name HA   ) ( segid SH3N and
resid 10 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid   9 and name HB*  ) ( segid SH3N and
resid 10 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid   9 and name HN   ) ( segid SH3N and
resid 10 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid   9 and name HB*  ) ( segid SH3N and
resid 36 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid   9 and name HB*  ) ( segid SH3N and
resid 37 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid   9 and name HB*  ) ( segid SH3N and
resid 37 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HA   ) ( segid SH3N and
resid 10 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  10 and name HA   ) ( segid SH3N and
resid 10 and name HG*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  10 and name HB1  ) ( segid SH3N and
resid 10 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  10 and name HB1  ) ( segid SH3N and
resid 10 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HB2  ) ( segid SH3N and
resid 10 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  10 and name HN   ) ( segid SH3N and
resid 10 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HN   ) ( segid SH3N and
resid 10 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HA   ) ( segid SH3N and
resid 11 and name HG*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  10 and name HA   ) ( segid SH3N and
resid 11 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  10 and name HB1  ) ( segid SH3N and
resid 11 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HG*  ) ( segid SH3N and
resid 11 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  10 and name HB1  ) ( segid SH3N and
resid 36 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HB2  ) ( segid SH3N and
resid 36 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HN   ) ( segid SH3N and
resid 36 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HG*  ) ( segid SH3N and
resid 66 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  10 and name HG*  ) ( segid SH3N and
resid 67 and name HD2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  11 and name HA   ) ( segid SH3N and
resid 11 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  11 and name HA   ) ( segid SH3N and
resid 11 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  11 and name HA   ) ( segid SH3N and
resid 11 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  11 and name HB*  ) ( segid SH3N and
resid 11 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  11 and name HB1  ) ( segid SH3N and
resid 11 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  11 and name HN   ) ( segid SH3N and
resid 11 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  11 and name HN   ) ( segid SH3N and
resid 11 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  11 and name HN   ) ( segid SH3N and
resid 11 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  11 and name HN   ) ( segid SH3N and
resid 11 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  11 and name HA   ) ( segid SH3N and
resid 12 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  11 and name HB1  ) ( segid SH3N and
resid 12 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  11 and name HG*  ) ( segid SH3N and
resid 12 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  11 and name HN   ) ( segid SH3N and
resid 12 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  11 and name HB1  ) ( segid SH3N and
resid 33 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  11 and name HG*  ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  11 and name HA   ) ( segid SH3N and
resid 35 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  11 and name HA   ) ( segid SH3N and
resid 36 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  11 and name HN   ) ( segid SH3N and
resid 65 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HA   ) ( segid SH3N and
resid 12 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  12 and name HN   ) ( segid SH3N and
resid 12 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  12 and name HN   ) ( segid SH3N and
resid 12 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  12 and name HA   ) ( segid SH3N and
resid 13 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  12 and name HB*  ) ( segid SH3N and
resid 13 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  12 and name HN   ) ( segid SH3N and
resid 33 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HN   ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  12 and name HB*  ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HN   ) ( segid SH3N and
resid 34 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HN   ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HA   ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HB*  ) ( segid SH3N and
resid 64 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HA   ) ( segid SH3N and
resid 65 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  12 and name HA   ) ( segid SH3N and
resid 65 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  12 and name HB*  ) ( segid SH3N and
resid 65 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 13 and name HB   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 13 and name HD1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 13 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 13 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HB   ) ( segid SH3N and
resid 13 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HB   ) ( segid SH3N and
resid 13 and name HG1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  13 and name HB   ) ( segid SH3N and
resid 13 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HG1* ) ( segid SH3N and
resid 13 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HG2* ) ( segid SH3N and
resid 13 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HG2* ) ( segid SH3N and
resid 13 and name HG1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HN   ) ( segid SH3N and
resid 13 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  13 and name HN   ) ( segid SH3N and
resid 13 and name HB   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HN   ) ( segid SH3N and
resid 13 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HN   ) ( segid SH3N and
resid 13 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 14 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HB   ) ( segid SH3N and
resid 14 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HG1* ) ( segid SH3N and
resid 14 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  13 and name HG2* ) ( segid SH3N and
resid 14 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HD1* ) ( segid SH3N and
resid 15 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 33 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HN   ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  13 and name HA   ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  13 and name HB   ) ( segid SH3N and
resid 63 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 14 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 14 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 14 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 15 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 15 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 15 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 16 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 16 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 28 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 29 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 31 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 31 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 32 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 32 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 32 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 32 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 33 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HB*  ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 62 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 62 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  14 and name HN   ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  14 and name HA   ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HA   ) ( segid SH3N and
resid 15 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  15 and name HA   ) ( segid SH3N and
resid 15 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HA   ) ( segid SH3N and
resid 15 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  15 and name HB*  ) ( segid SH3N and
resid 15 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HB*  ) ( segid SH3N and
resid 15 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  15 and name HD*  ) ( segid SH3N and
resid 15 and name HE*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  15 and name HG*  ) ( segid SH3N and
resid 15 and name HE*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  15 and name HN   ) ( segid SH3N and
resid 15 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HN   ) ( segid SH3N and
resid 15 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  15 and name HN   ) ( segid SH3N and
resid 15 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HA   ) ( segid SH3N and
resid 16 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HB*  ) ( segid SH3N and
resid 16 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HB*  ) ( segid SH3N and
resid 16 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HB*  ) ( segid SH3N and
resid 16 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HG*  ) ( segid SH3N and
resid 16 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HN   ) ( segid SH3N and
resid 16 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  15 and name HA   ) ( segid SH3N and
resid 30 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HD*  ) ( segid SH3N and
resid 60 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HD*  ) ( segid SH3N and
resid 61 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  15 and name HB*  ) ( segid SH3N and
resid 62 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  15 and name HN   ) ( segid SH3N and
resid 62 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  15 and name HN   ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  15 and name HD*  ) ( segid SH3N and
resid 63 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  15 and name HN   ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 16 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 16 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 16 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HB1  ) ( segid SH3N and
resid 16 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  16 and name HB1  ) ( segid SH3N and
resid 16 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HB2  ) ( segid SH3N and
resid 16 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 16 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 16 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 16 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 16 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 17 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 17 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HB1  ) ( segid SH3N and
resid 17 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HB2  ) ( segid SH3N and
resid 17 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HD*  ) ( segid SH3N and
resid 17 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 17 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 28 and name HD*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 30 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 30 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 30 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HA   ) ( segid SH3N and
resid 30 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 30 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 30 and name HB2  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 31 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HD*  ) ( segid SH3N and
resid 61 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  16 and name HD*  ) ( segid SH3N and
resid 61 and name HB1  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HD*  ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  16 and name HE*  ) ( segid SH3N and
resid 61 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HN   ) ( segid SH3N and
resid 61 and name HB1  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  17 and name HA   ) ( segid SH3N and
resid 17 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  17 and name HN   ) ( segid SH3N and
resid 17 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  17 and name HA   ) ( segid SH3N and
resid 18 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  17 and name HB*  ) ( segid SH3N and
resid 18 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  17 and name HA   ) ( segid SH3N and
resid 29 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  17 and name HB*  ) ( segid SH3N and
resid 29 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  17 and name HA   ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  17 and name HB*  ) ( segid SH3N and
resid 30 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  17 and name HB*  ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  17 and name HN   ) ( segid SH3N and
resid 30 and name HB2  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  17 and name HN   ) ( segid SH3N and
resid 30 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  17 and name HN   ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  18 and name HA   ) ( segid SH3N and
resid 18 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HA   ) ( segid SH3N and
resid 18 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  18 and name HB*  ) ( segid SH3N and
resid 18 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 18 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 18 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 18 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HA   ) ( segid SH3N and
resid 19 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  18 and name HD*  ) ( segid SH3N and
resid 19 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 19 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  18 and name HB*  ) ( segid SH3N and
resid 28 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HB*  ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 29 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 29 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  18 and name HN   ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  18 and name HA   ) ( segid SH3N and
resid 61 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 19 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 19 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  19 and name HB*  ) ( segid SH3N and
resid 19 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  19 and name HG*  ) ( segid SH3N and
resid 19 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  19 and name HN   ) ( segid SH3N and
resid 19 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  19 and name HN   ) ( segid SH3N and
resid 19 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  19 and name HN   ) ( segid SH3N and
resid 19 and name HG*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 20 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 20 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 20 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  19 and name HB*  ) ( segid SH3N and
resid 20 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  19 and name HG*  ) ( segid SH3N and
resid 20 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  19 and name HN   ) ( segid SH3N and
resid 20 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  19 and name HE*  ) ( segid SH3N and
resid 21 and name HG2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 27 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 27 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  19 and name HA   ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  20 and name HA   ) ( segid SH3N and
resid 20 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 20 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 20 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  20 and name HA   ) ( segid SH3N and
resid 21 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  20 and name HA   ) ( segid SH3N and
resid 21 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  20 and name HB*  ) ( segid SH3N and
resid 21 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 21 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  20 and name HA   ) ( segid SH3N and
resid 25 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  20 and name HA   ) ( segid SH3N and
resid 25 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  20 and name HB*  ) ( segid SH3N and
resid 25 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  20 and name HB*  ) ( segid SH3N and
resid 25 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  20 and name HB*  ) ( segid SH3N and
resid 25 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  20 and name HA   ) ( segid SH3N and
resid 26 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  20 and name HB*  ) ( segid SH3N and
resid 26 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  20 and name HB*  ) ( segid SH3N and
resid 27 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 27 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 27 and name HB1  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 27 and name HB2  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 27 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  20 and name HN   ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  21 and name HN   ) ( segid SH3N and
resid 21 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  21 and name HA   ) ( segid SH3N and
resid 22 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  21 and name HN   ) ( segid SH3N and
resid 22 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  22 and name HA   ) ( segid SH3N and
resid 22 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  22 and name HN   ) ( segid SH3N and
resid 22 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  22 and name HN   ) ( segid SH3N and
resid 22 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  22 and name HA   ) ( segid SH3N and
resid 23 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  22 and name HA   ) ( segid SH3N and
resid 23 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  22 and name HB*  ) ( segid SH3N and
resid 23 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  22 and name HB*  ) ( segid SH3N and
resid 23 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  22 and name HB*  ) ( segid SH3N and
resid 23 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  22 and name HA   ) ( segid SH3N and
resid 24 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  22 and name HB*  ) ( segid SH3N and
resid 24 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  22 and name HB*  ) ( segid SH3N and
resid 25 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  22 and name HB*  ) ( segid SH3N and
resid 25 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  22 and name HB*  ) ( segid SH3N and
resid 25 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  22 and name HN   ) ( segid SH3N and
resid 25 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  23 and name HA   ) ( segid SH3N and
resid 23 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  23 and name HA   ) ( segid SH3N and
resid 23 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  23 and name HN   ) ( segid SH3N and
resid 23 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  23 and name HN   ) ( segid SH3N and
resid 23 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  23 and name HN   ) ( segid SH3N and
resid 23 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  23 and name HA   ) ( segid SH3N and
resid 24 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  23 and name HB1  ) ( segid SH3N and
resid 24 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  23 and name HN   ) ( segid SH3N and
resid 24 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  23 and name HA   ) ( segid SH3N and
resid 25 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  24 and name HN   ) ( segid SH3N and
resid 24 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  24 and name HN   ) ( segid SH3N and
resid 24 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  24 and name HA   ) ( segid SH3N and
resid 25 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  24 and name HN   ) ( segid SH3N and
resid 25 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  25 and name HA   ) ( segid SH3N and
resid 25 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  25 and name HA   ) ( segid SH3N and
resid 25 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  25 and name HN   ) ( segid SH3N and
resid 25 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  25 and name HN   ) ( segid SH3N and
resid 25 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  25 and name HN   ) ( segid SH3N and
resid 25 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  25 and name HA   ) ( segid SH3N and
resid 26 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  25 and name HB*  ) ( segid SH3N and
resid 26 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  25 and name HG*  ) ( segid SH3N and
resid 26 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  25 and name HN   ) ( segid SH3N and
resid 26 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  25 and name HA   ) ( segid SH3N and
resid 55 and name HA*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  25 and name HA   ) ( segid SH3N and
resid 56 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  25 and name HG*  ) ( segid SH3N and
resid 56 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  25 and name HN   ) ( segid SH3N and
resid 56 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  26 and name HA   ) ( segid SH3N and
resid 26 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  26 and name HA   ) ( segid SH3N and
resid 26 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  26 and name HA   ) ( segid SH3N and
resid 26 and name HG   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  26 and name HB*  ) ( segid SH3N and
resid 26 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  26 and name HB*  ) ( segid SH3N and
resid 26 and name HG   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  26 and name HG   ) ( segid SH3N and
resid 26 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  26 and name HN   ) ( segid SH3N and
resid 26 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  26 and name HN   ) ( segid SH3N and
resid 26 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HA   ) ( segid SH3N and
resid 27 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  26 and name HB*  ) ( segid SH3N and
resid 27 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 27 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  26 and name HN   ) ( segid SH3N and
resid 27 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 49 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 53 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 53 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 54 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HB*  ) ( segid SH3N and
resid 55 and name HA*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HB*  ) ( segid SH3N and
resid 55 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HN   ) ( segid SH3N and
resid 55 and name HA*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HN   ) ( segid SH3N and
resid 56 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  26 and name HD*  ) ( segid SH3N and
resid 57 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  27 and name HA   ) ( segid SH3N and
resid 27 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  27 and name HA   ) ( segid SH3N and
resid 27 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  27 and name HN   ) ( segid SH3N and
resid 27 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  27 and name HN   ) ( segid SH3N and
resid 27 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  27 and name HN   ) ( segid SH3N and
resid 27 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  27 and name HN   ) ( segid SH3N and
resid 27 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  27 and name HA   ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  27 and name HB*  ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  27 and name HB1  ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  27 and name HB2  ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  27 and name HN   ) ( segid SH3N and
resid 28 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  28 and name HA   ) ( segid SH3N and
resid 28 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  28 and name HA   ) ( segid SH3N and
resid 28 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  28 and name HB*  ) ( segid SH3N and
resid 28 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  28 and name HN   ) ( segid SH3N and
resid 28 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  28 and name HN   ) ( segid SH3N and
resid 28 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  28 and name HN   ) ( segid SH3N and
resid 28 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  28 and name HA   ) ( segid SH3N and
resid 29 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  28 and name HA   ) ( segid SH3N and
resid 29 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  28 and name HB*  ) ( segid SH3N and
resid 29 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  28 and name HD*  ) ( segid SH3N and
resid 29 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  28 and name HN   ) ( segid SH3N and
resid 29 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  28 and name HB*  ) ( segid SH3N and
resid 32 and name HB1  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  28 and name HB*  ) ( segid SH3N and
resid 32 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  28 and name HB*  ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  28 and name HD*  ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  28 and name HA   ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  28 and name HB*  ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  28 and name HD*  ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  28 and name HD*  ) ( segid SH3N and
resid 57 and name HG2* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  29 and name HA   ) ( segid SH3N and
resid 29 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  29 and name HA   ) ( segid SH3N and
resid 29 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  29 and name HA   ) ( segid SH3N and
resid 29 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  29 and name HB*  ) ( segid SH3N and
resid 29 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  29 and name HB*  ) ( segid SH3N and
resid 29 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  29 and name HD*  ) ( segid SH3N and
resid 29 and name HE*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  29 and name HG*  ) ( segid SH3N and
resid 29 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  29 and name HG*  ) ( segid SH3N and
resid 29 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 29 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 29 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 29 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  29 and name HA   ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  29 and name HB*  ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  29 and name HG*  ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 30 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 32 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 32 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 32 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  29 and name HN   ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  30 and name HA   ) ( segid SH3N and
resid 30 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  30 and name HA   ) ( segid SH3N and
resid 30 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  30 and name HA   ) ( segid SH3N and
resid 30 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  30 and name HB1  ) ( segid SH3N and
resid 30 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  30 and name HB1  ) ( segid SH3N and
resid 30 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  30 and name HB1  ) ( segid SH3N and
resid 30 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  30 and name HB2  ) ( segid SH3N and
resid 30 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  30 and name HB2  ) ( segid SH3N and
resid 30 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  30 and name HG*  ) ( segid SH3N and
resid 30 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  30 and name HN   ) ( segid SH3N and
resid 30 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  30 and name HN   ) ( segid SH3N and
resid 30 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  30 and name HN   ) ( segid SH3N and
resid 30 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  30 and name HN   ) ( segid SH3N and
resid 30 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  30 and name HN   ) ( segid SH3N and
resid 30 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  30 and name HA   ) ( segid SH3N and
resid 31 and name HA*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  30 and name HA   ) ( segid SH3N and
resid 31 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  30 and name HB1  ) ( segid SH3N and
resid 31 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  30 and name HG*  ) ( segid SH3N and
resid 31 and name HA*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  30 and name HG*  ) ( segid SH3N and
resid 31 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  30 and name HN   ) ( segid SH3N and
resid 31 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  30 and name HA   ) ( segid SH3N and
resid 32 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  31 and name HN   ) ( segid SH3N and
resid 31 and name HA*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  31 and name HA*  ) ( segid SH3N and
resid 32 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  31 and name HN   ) ( segid SH3N and
resid 32 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  32 and name HA   ) ( segid SH3N and
resid 32 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  32 and name HA   ) ( segid SH3N and
resid 32 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  32 and name HB2  ) ( segid SH3N and
resid 32 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  32 and name HN   ) ( segid SH3N and
resid 32 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  32 and name HN   ) ( segid SH3N and
resid 32 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  32 and name HN   ) ( segid SH3N and
resid 32 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  32 and name HA   ) ( segid SH3N and
resid 33 and name HB   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  32 and name HA   ) ( segid SH3N and
resid 33 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  32 and name HB1  ) ( segid SH3N and
resid 33 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  32 and name HN   ) ( segid SH3N and
resid 33 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  32 and name HB1  ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  32 and name HB2  ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  32 and name HA   ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  32 and name HB1  ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HA   ) ( segid SH3N and
resid 33 and name HB   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HA   ) ( segid SH3N and
resid 33 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HA   ) ( segid SH3N and
resid 33 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HA   ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  33 and name HB   ) ( segid SH3N and
resid 33 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  33 and name HB   ) ( segid SH3N and
resid 33 and name HG1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  33 and name HB   ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  33 and name HG1* ) ( segid SH3N and
resid 33 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  33 and name HG2* ) ( segid SH3N and
resid 33 and name HG1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  33 and name HN   ) ( segid SH3N and
resid 33 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HN   ) ( segid SH3N and
resid 33 and name HB   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  33 and name HN   ) ( segid SH3N and
resid 33 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HN   ) ( segid SH3N and
resid 33 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HN   ) ( segid SH3N and
resid 33 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HA   ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  33 and name HB   ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  33 and name HD1* ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  33 and name HG2* ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  33 and name HN   ) ( segid SH3N and
resid 34 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  33 and name HD1* ) ( segid SH3N and
resid 65 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HA   ) ( segid SH3N and
resid 34 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  34 and name HA   ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HA   ) ( segid SH3N and
resid 34 and name HG   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HB*  ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  34 and name HB*  ) ( segid SH3N and
resid 34 and name HG   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  34 and name HG   ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  34 and name HN   ) ( segid SH3N and
resid 34 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HN   ) ( segid SH3N and
resid 34 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  34 and name HN   ) ( segid SH3N and
resid 34 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HN   ) ( segid SH3N and
resid 34 and name HG   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HA   ) ( segid SH3N and
resid 35 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  34 and name HB*  ) ( segid SH3N and
resid 35 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  34 and name HD*  ) ( segid SH3N and
resid 35 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HN   ) ( segid SH3N and
resid 35 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  34 and name HD*  ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HD*  ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  34 and name HD*  ) ( segid SH3N and
resid 57 and name HD1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  34 and name HD*  ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  35 and name HG*  ) ( segid SH3N and
resid 35 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  35 and name HN   ) ( segid SH3N and
resid 35 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  35 and name HA   ) ( segid SH3N and
resid 36 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  35 and name HN   ) ( segid SH3N and
resid 36 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  35 and name HN   ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  35 and name HB*  ) ( segid SH3N and
resid 49 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  35 and name HN   ) ( segid SH3N and
resid 49 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  35 and name HN   ) ( segid SH3N and
resid 50 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  36 and name HA   ) ( segid SH3N and
resid 36 and name HB   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  36 and name HA   ) ( segid SH3N and
resid 36 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  36 and name HB   ) ( segid SH3N and
resid 36 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  36 and name HN   ) ( segid SH3N and
resid 36 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  36 and name HN   ) ( segid SH3N and
resid 36 and name HB   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  36 and name HN   ) ( segid SH3N and
resid 36 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  36 and name HA   ) ( segid SH3N and
resid 37 and name HD*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  36 and name HA   ) ( segid SH3N and
resid 37 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 37 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 37 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 38 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 38 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 46 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 46 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 46 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  36 and name HG*  ) ( segid SH3N and
resid 46 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  36 and name HA   ) ( segid SH3N and
resid 48 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  36 and name HA   ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  36 and name HA   ) ( segid SH3N and
resid 49 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HA   ) ( segid SH3N and
resid 37 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  37 and name HA   ) ( segid SH3N and
resid 37 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HA   ) ( segid SH3N and
resid 37 and name HG   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  37 and name HB*  ) ( segid SH3N and
resid 37 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  37 and name HB*  ) ( segid SH3N and
resid 37 and name HG   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  37 and name HG   ) ( segid SH3N and
resid 37 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  37 and name HN   ) ( segid SH3N and
resid 37 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HN   ) ( segid SH3N and
resid 37 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HN   ) ( segid SH3N and
resid 37 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  37 and name HA   ) ( segid SH3N and
resid 38 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  37 and name HN   ) ( segid SH3N and
resid 38 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HB*  ) ( segid SH3N and
resid 47 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HD*  ) ( segid SH3N and
resid 48 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HD*  ) ( segid SH3N and
resid 48 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  37 and name HN   ) ( segid SH3N and
resid 48 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  37 and name HD*  ) ( segid SH3N and
resid 49 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  37 and name HD*  ) ( segid SH3N and
resid 49 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HN   ) ( segid SH3N and
resid 49 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  37 and name HD*  ) ( segid SH3N and
resid 54 and name HB*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  37 and name HD*  ) ( segid SH3N and
resid 55 and name HA*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  38 and name HA   ) ( segid SH3N and
resid 38 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  38 and name HA   ) ( segid SH3N and
resid 38 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  38 and name HB1  ) ( segid SH3N and
resid 38 and name HD2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  38 and name HB2  ) ( segid SH3N and
resid 38 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  38 and name HB2  ) ( segid SH3N and
resid 38 and name HD2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  38 and name HN   ) ( segid SH3N and
resid 38 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  38 and name HN   ) ( segid SH3N and
resid 38 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  38 and name HN   ) ( segid SH3N and
resid 38 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  38 and name HA   ) ( segid SH3N and
resid 47 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  38 and name HB1  ) ( segid SH3N and
resid 47 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  38 and name HB2  ) ( segid SH3N and
resid 47 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  38 and name HN   ) ( segid SH3N and
resid 47 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  38 and name HN   ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  39 and name HA   ) ( segid SH3N and
resid 39 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  39 and name HA   ) ( segid SH3N and
resid 39 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  39 and name HB*  ) ( segid SH3N and
resid 39 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  39 and name HA   ) ( segid SH3N and
resid 40 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  40 and name HA   ) ( segid SH3N and
resid 40 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  40 and name HA   ) ( segid SH3N and
resid 40 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  40 and name HB*  ) ( segid SH3N and
resid 40 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  40 and name HN   ) ( segid SH3N and
resid 40 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  40 and name HN   ) ( segid SH3N and
resid 40 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  40 and name HA   ) ( segid SH3N and
resid 41 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  40 and name HB*  ) ( segid SH3N and
resid 41 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  41 and name HA   ) ( segid SH3N and
resid 41 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  41 and name HN   ) ( segid SH3N and
resid 41 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  41 and name HA   ) ( segid SH3N and
resid 42 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  41 and name HB*  ) ( segid SH3N and
resid 42 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  42 and name HA   ) ( segid SH3N and
resid 42 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  42 and name HN   ) ( segid SH3N and
resid 42 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  42 and name HN   ) ( segid SH3N and
resid 42 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  42 and name HN   ) ( segid SH3N and
resid 42 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  42 and name HA   ) ( segid SH3N and
resid 43 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  42 and name HA   ) ( segid SH3N and
resid 43 and name HB*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  42 and name HB2  ) ( segid SH3N and
resid 43 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  42 and name HB1  ) ( segid SH3N and
resid 45 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  42 and name HB2  ) ( segid SH3N and
resid 45 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  43 and name HA   ) ( segid SH3N and
resid 43 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  43 and name HA   ) ( segid SH3N and
resid 43 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  43 and name HB*  ) ( segid SH3N and
resid 43 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  43 and name HG*  ) ( segid SH3N and
resid 43 and name HE2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  43 and name HN   ) ( segid SH3N and
resid 43 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  43 and name HN   ) ( segid SH3N and
resid 43 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  43 and name HN   ) ( segid SH3N and
resid 43 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  43 and name HA   ) ( segid SH3N and
resid 44 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  43 and name HB*  ) ( segid SH3N and
resid 44 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  43 and name HN   ) ( segid SH3N and
resid 44 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  44 and name HA   ) ( segid SH3N and
resid 44 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  44 and name HA   ) ( segid SH3N and
resid 44 and name HB2  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  44 and name HB1  ) ( segid SH3N and
resid 44 and name HD2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  44 and name HB2  ) ( segid SH3N and
resid 44 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  44 and name HN   ) ( segid SH3N and
resid 44 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  44 and name HN   ) ( segid SH3N and
resid 44 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  44 and name HN   ) ( segid SH3N and
resid 44 and name HD2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  44 and name HA   ) ( segid SH3N and
resid 45 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  44 and name HB1  ) ( segid SH3N and
resid 45 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  44 and name HB2  ) ( segid SH3N and
resid 45 and name HE1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  44 and name HB2  ) ( segid SH3N and
resid 45 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  44 and name HN   ) ( segid SH3N and
resid 45 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  44 and name HA   ) ( segid SH3N and
resid 59 and name HB*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  44 and name HA   ) ( segid SH3N and
resid 59 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HA   ) ( segid SH3N and
resid 45 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HA   ) ( segid SH3N and
resid 45 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HB2  ) ( segid SH3N and
resid 45 and name HD1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HN   ) ( segid SH3N and
resid 45 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HN   ) ( segid SH3N and
resid 45 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HN   ) ( segid SH3N and
resid 45 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HN   ) ( segid SH3N and
resid 45 and name HD1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HB1  ) ( segid SH3N and
resid 45 and name HE3  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  45 and name HB2  ) ( segid SH3N and
resid 45 and name HE3  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HA   ) ( segid SH3N and
resid 46 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  45 and name HB1  ) ( segid SH3N and
resid 46 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HB2  ) ( segid SH3N and
resid 46 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HN   ) ( segid SH3N and
resid 46 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  45 and name HB1  ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  45 and name HA   ) ( segid SH3N and
resid 58 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HE1  ) ( segid SH3N and
resid 58 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HE3  ) ( segid SH3N and
resid 58 and name HD1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  45 and name HE3  ) ( segid SH3N and
resid 58 and name HD2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HZ3  ) ( segid SH3N and
resid 58 and name HD1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  45 and name HZ3  ) ( segid SH3N and
resid 58 and name HD2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HE3  ) ( segid SH3N and
resid 58 and name HG1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HZ3  ) ( segid SH3N and
resid 58 and name HG1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HA   ) ( segid SH3N and
resid 59 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  46 and name HA   ) ( segid SH3N and
resid 46 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  46 and name HA   ) ( segid SH3N and
resid 46 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HA   ) ( segid SH3N and
resid 46 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  46 and name HB1  ) ( segid SH3N and
resid 46 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  46 and name HB1  ) ( segid SH3N and
resid 46 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HB2  ) ( segid SH3N and
resid 46 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HN   ) ( segid SH3N and
resid 46 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HN   ) ( segid SH3N and
resid 46 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  46 and name HA   ) ( segid SH3N and
resid 47 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  46 and name HB1  ) ( segid SH3N and
resid 47 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HB1  ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  46 and name HB1  ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  46 and name HB2  ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HN   ) ( segid SH3N and
resid 57 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HN   ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HN   ) ( segid SH3N and
resid 58 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  46 and name HE*  ) ( segid SH3N and
resid 59 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  46 and name HN   ) ( segid SH3N and
resid 59 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  46 and name HE*  ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HA   ) ( segid SH3N and
resid 47 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HA   ) ( segid SH3N and
resid 47 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HA   ) ( segid SH3N and
resid 47 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HB*  ) ( segid SH3N and
resid 47 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  47 and name HB*  ) ( segid SH3N and
resid 47 and name HE*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  47 and name HD*  ) ( segid SH3N and
resid 47 and name HE*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  47 and name HG*  ) ( segid SH3N and
resid 47 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  47 and name HG*  ) ( segid SH3N and
resid 47 and name HE*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  47 and name HN   ) ( segid SH3N and
resid 47 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HN   ) ( segid SH3N and
resid 47 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HA   ) ( segid SH3N and
resid 48 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  47 and name HB*  ) ( segid SH3N and
resid 48 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HD*  ) ( segid SH3N and
resid 48 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HA   ) ( segid SH3N and
resid 55 and name HA*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HE*  ) ( segid SH3N and
resid 55 and name HA*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  47 and name HA   ) ( segid SH3N and
resid 56 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  47 and name HA   ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  48 and name HA   ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  48 and name HN   ) ( segid SH3N and
resid 48 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  48 and name HN   ) ( segid SH3N and
resid 48 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  48 and name HA   ) ( segid SH3N and
resid 49 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  48 and name HA   ) ( segid SH3N and
resid 49 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  48 and name HB*  ) ( segid SH3N and
resid 49 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  48 and name HN   ) ( segid SH3N and
resid 49 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  48 and name HN   ) ( segid SH3N and
resid 55 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  48 and name HN   ) ( segid SH3N and
resid 56 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  48 and name HN   ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  49 and name HA   ) ( segid SH3N and
resid 49 and name HG*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  49 and name HB*  ) ( segid SH3N and
resid 49 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  49 and name HN   ) ( segid SH3N and
resid 49 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  49 and name HN   ) ( segid SH3N and
resid 49 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  49 and name HA   ) ( segid SH3N and
resid 50 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  49 and name HB*  ) ( segid SH3N and
resid 50 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  49 and name HG*  ) ( segid SH3N and
resid 50 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  49 and name HB*  ) ( segid SH3N and
resid 51 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  49 and name HB*  ) ( segid SH3N and
resid 52 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  49 and name HG*  ) ( segid SH3N and
resid 52 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  49 and name HA   ) ( segid SH3N and
resid 54 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  49 and name HG*  ) ( segid SH3N and
resid 54 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  49 and name HA   ) ( segid SH3N and
resid 55 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  50 and name HA   ) ( segid SH3N and
resid 50 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  50 and name HA   ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  50 and name HA   ) ( segid SH3N and
resid 50 and name HG   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  50 and name HB1  ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  50 and name HB2  ) ( segid SH3N and
resid 50 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  50 and name HB2  ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  50 and name HG   ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  50 and name HN   ) ( segid SH3N and
resid 50 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HN   ) ( segid SH3N and
resid 50 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HN   ) ( segid SH3N and
resid 50 and name HD*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  50 and name HA   ) ( segid SH3N and
resid 51 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HA   ) ( segid SH3N and
resid 51 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  50 and name HB1  ) ( segid SH3N and
resid 51 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HD*  ) ( segid SH3N and
resid 51 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HD*  ) ( segid SH3N and
resid 51 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  50 and name HG   ) ( segid SH3N and
resid 51 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HN   ) ( segid SH3N and
resid 51 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  50 and name HN   ) ( segid SH3N and
resid 52 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  50 and name HD*  ) ( segid SH3N and
resid 53 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HN   ) ( segid SH3N and
resid 53 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  50 and name HN   ) ( segid SH3N and
resid 54 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  51 and name HA   ) ( segid SH3N and
resid 51 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  51 and name HA   ) ( segid SH3N and
resid 51 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  51 and name HA   ) ( segid SH3N and
resid 51 and name HD2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  51 and name HB1  ) ( segid SH3N and
resid 51 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  51 and name HB1  ) ( segid SH3N and
resid 51 and name HD2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  51 and name HB2  ) ( segid SH3N and
resid 51 and name HD2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  51 and name HN   ) ( segid SH3N and
resid 51 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  51 and name HN   ) ( segid SH3N and
resid 51 and name HB1  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  51 and name HN   ) ( segid SH3N and
resid 51 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  51 and name HA   ) ( segid SH3N and
resid 52 and name HA*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  51 and name HA   ) ( segid SH3N and
resid 52 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  51 and name HB1  ) ( segid SH3N and
resid 52 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  51 and name HB2  ) ( segid SH3N and
resid 52 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  51 and name HN   ) ( segid SH3N and
resid 52 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  51 and name HB1  ) ( segid SH3N and
resid 53 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  51 and name HN   ) ( segid SH3N and
resid 53 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  52 and name HN   ) ( segid SH3N and
resid 52 and name HA*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  52 and name HA*  ) ( segid SH3N and
resid 53 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  52 and name HN   ) ( segid SH3N and
resid 53 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  53 and name HA   ) ( segid SH3N and
resid 53 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  53 and name HA   ) ( segid SH3N and
resid 53 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  53 and name HA   ) ( segid SH3N and
resid 53 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  53 and name HA   ) ( segid SH3N and
resid 53 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  53 and name HB1  ) ( segid SH3N and
resid 53 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  53 and name HB1  ) ( segid SH3N and
resid 53 and name HE*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  53 and name HB1  ) ( segid SH3N and
resid 53 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  53 and name HB2  ) ( segid SH3N and
resid 53 and name HE*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  53 and name HB2  ) ( segid SH3N and
resid 53 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  53 and name HG*  ) ( segid SH3N and
resid 53 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  53 and name HN   ) ( segid SH3N and
resid 53 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  53 and name HN   ) ( segid SH3N and
resid 53 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  53 and name HN   ) ( segid SH3N and
resid 53 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  53 and name HN   ) ( segid SH3N and
resid 53 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  53 and name HA   ) ( segid SH3N and
resid 54 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  53 and name HB1  ) ( segid SH3N and
resid 54 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  53 and name HE*  ) ( segid SH3N and
resid 54 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  53 and name HG*  ) ( segid SH3N and
resid 54 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  53 and name HN   ) ( segid SH3N and
resid 54 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  53 and name HN   ) ( segid SH3N and
resid 54 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  54 and name HA   ) ( segid SH3N and
resid 54 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  54 and name HN   ) ( segid SH3N and
resid 54 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  54 and name HN   ) ( segid SH3N and
resid 54 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  54 and name HA   ) ( segid SH3N and
resid 55 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  54 and name HB*  ) ( segid SH3N and
resid 55 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  54 and name HN   ) ( segid SH3N and
resid 55 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  55 and name HN   ) ( segid SH3N and
resid 55 and name HA*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  55 and name HA*  ) ( segid SH3N and
resid 56 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  55 and name HN   ) ( segid SH3N and
resid 56 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  56 and name HA   ) ( segid SH3N and
resid 56 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HA   ) ( segid SH3N and
resid 56 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HA   ) ( segid SH3N and
resid 56 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HB1  ) ( segid SH3N and
resid 56 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  56 and name HB2  ) ( segid SH3N and
resid 56 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HN   ) ( segid SH3N and
resid 56 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HN   ) ( segid SH3N and
resid 56 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HN   ) ( segid SH3N and
resid 56 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HN   ) ( segid SH3N and
resid 56 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HA   ) ( segid SH3N and
resid 57 and name HG2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  56 and name HA   ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  56 and name HB1  ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  56 and name HN   ) ( segid SH3N and
resid 57 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  57 and name HA   ) ( segid SH3N and
resid 57 and name HB   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  57 and name HA   ) ( segid SH3N and
resid 57 and name HG1* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  57 and name HA   ) ( segid SH3N and
resid 57 and name HG2* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  57 and name HB   ) ( segid SH3N and
resid 57 and name HD1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  57 and name HB   ) ( segid SH3N and
resid 57 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  57 and name HB   ) ( segid SH3N and
resid 57 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  57 and name HG1* ) ( segid SH3N and
resid 57 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  57 and name HG2* ) ( segid SH3N and
resid 57 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  57 and name HG2* ) ( segid SH3N and
resid 57 and name HG1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  57 and name HN   ) ( segid SH3N and
resid 57 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  57 and name HN   ) ( segid SH3N and
resid 57 and name HD1* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  57 and name HN   ) ( segid SH3N and
resid 57 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  57 and name HN   ) ( segid SH3N and
resid 57 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  57 and name HA   ) ( segid SH3N and
resid 58 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  57 and name HB   ) ( segid SH3N and
resid 58 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  57 and name HG2* ) ( segid SH3N and
resid 58 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  57 and name HN   ) ( segid SH3N and
resid 59 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  58 and name HA   ) ( segid SH3N and
resid 58 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  58 and name HA   ) ( segid SH3N and
resid 58 and name HG*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  58 and name HB*  ) ( segid SH3N and
resid 58 and name HG*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  58 and name HG*  ) ( segid SH3N and
resid 58 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  58 and name HA   ) ( segid SH3N and
resid 59 and name HB*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  58 and name HA   ) ( segid SH3N and
resid 59 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  58 and name HB*  ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  58 and name HD*  ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  58 and name HG*  ) ( segid SH3N and
resid 61 and name HB1  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  58 and name HG*  ) ( segid SH3N and
resid 61 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  58 and name HG*  ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HA   ) ( segid SH3N and
resid 59 and name HB*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  59 and name HA   ) ( segid SH3N and
resid 59 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HB*  ) ( segid SH3N and
resid 59 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HD*  ) ( segid SH3N and
resid 59 and name HE*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  59 and name HG*  ) ( segid SH3N and
resid 59 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HG*  ) ( segid SH3N and
resid 59 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HN   ) ( segid SH3N and
resid 59 and name HA   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  59 and name HN   ) ( segid SH3N and
resid 59 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HN   ) ( segid SH3N and
resid 59 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HN   ) ( segid SH3N and
resid 59 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HA   ) ( segid SH3N and
resid 60 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HB*  ) ( segid SH3N and
resid 60 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  59 and name HN   ) ( segid SH3N and
resid 60 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HA   ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  59 and name HA   ) ( segid SH3N and
resid 62 and name HD1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  59 and name HA   ) ( segid SH3N and
resid 62 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HA   ) ( segid SH3N and
resid 62 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  59 and name HG*  ) ( segid SH3N and
resid 62 and name HB   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  60 and name HA   ) ( segid SH3N and
resid 60 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  60 and name HA   ) ( segid SH3N and
resid 60 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  60 and name HB1  ) ( segid SH3N and
resid 60 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  60 and name HB1  ) ( segid SH3N and
resid 60 and name HD2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  60 and name HB2  ) ( segid SH3N and
resid 60 and name HD2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  60 and name HN   ) ( segid SH3N and
resid 60 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  60 and name HN   ) ( segid SH3N and
resid 60 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  60 and name HN   ) ( segid SH3N and
resid 60 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  60 and name HA   ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  60 and name HB1  ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  60 and name HB2  ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  60 and name HN   ) ( segid SH3N and
resid 61 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  60 and name HA   ) ( segid SH3N and
resid 62 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  60 and name HN   ) ( segid SH3N and
resid 62 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  61 and name HA   ) ( segid SH3N and
resid 61 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  61 and name HA   ) ( segid SH3N and
resid 61 and name HB2  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HA   ) ( segid SH3N and
resid 61 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HB1  ) ( segid SH3N and
resid 61 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HB1  ) ( segid SH3N and
resid 61 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HB2  ) ( segid SH3N and
resid 61 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HB2  ) ( segid SH3N and
resid 61 and name HE*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HN   ) ( segid SH3N and
resid 61 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HN   ) ( segid SH3N and
resid 61 and name HB1  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HN   ) ( segid SH3N and
resid 61 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  61 and name HA   ) ( segid SH3N and
resid 62 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HA   ) ( segid SH3N and
resid 62 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  61 and name HB1  ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  61 and name HB2  ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  61 and name HN   ) ( segid SH3N and
resid 62 and name HD1* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  61 and name HN   ) ( segid SH3N and
resid 62 and name HG1* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  61 and name HN   ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 3.2
assign ( segid SH3N and resid  61 and name HN   ) ( segid SH3N and
resid 62 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HA   ) ( segid SH3N and
resid 62 and name HB   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  62 and name HA   ) ( segid SH3N and
resid 62 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  62 and name HA   ) ( segid SH3N and
resid 62 and name HG1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  62 and name HA   ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HB   ) ( segid SH3N and
resid 62 and name HD1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HB   ) ( segid SH3N and
resid 62 and name HG1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HB   ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  62 and name HG1* ) ( segid SH3N and
resid 62 and name HD1* ) 1.8 0.0 0.7
assign ( segid SH3N and resid  62 and name HG2* ) ( segid SH3N and
resid 62 and name HG1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HN   ) ( segid SH3N and
resid 62 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  62 and name HN   ) ( segid SH3N and
resid 62 and name HB   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  62 and name HN   ) ( segid SH3N and
resid 62 and name HD1* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  62 and name HN   ) ( segid SH3N and
resid 62 and name HG1* ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HN   ) ( segid SH3N and
resid 62 and name HG2* ) 1.8 0.0 2.2
assign ( segid SH3N and resid  62 and name HA   ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  62 and name HB   ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HD1* ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  62 and name HG2* ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 1.2
assign ( segid SH3N and resid  62 and name HN   ) ( segid SH3N and
resid 63 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  63 and name HA   ) ( segid SH3N and
resid 63 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  63 and name HB*  ) ( segid SH3N and
resid 63 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  63 and name HN   ) ( segid SH3N and
resid 63 and name HA   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  63 and name HN   ) ( segid SH3N and
resid 63 and name HB*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  63 and name HB*  ) ( segid SH3N and
resid 64 and name HN   ) 1.8 0.0 0.7
assign ( segid SH3N and resid  64 and name HA   ) ( segid SH3N and
resid 64 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  64 and name HB*  ) ( segid SH3N and
resid 64 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  64 and name HN   ) ( segid SH3N and
resid 64 and name HB*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  64 and name HN   ) ( segid SH3N and
resid 64 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  64 and name HA   ) ( segid SH3N and
resid 65 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  64 and name HB*  ) ( segid SH3N and
resid 65 and name HN   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  64 and name HG*  ) ( segid SH3N and
resid 65 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  64 and name HG*  ) ( segid SH3N and
resid 65 and name HN   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  65 and name HA   ) ( segid SH3N and
resid 65 and name HB1  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  65 and name HA   ) ( segid SH3N and
resid 65 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  65 and name HA   ) ( segid SH3N and
resid 65 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  65 and name HB1  ) ( segid SH3N and
resid 65 and name HB2  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  65 and name HB1  ) ( segid SH3N and
resid 65 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  65 and name HB2  ) ( segid SH3N and
resid 65 and name HE*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  65 and name HB2  ) ( segid SH3N and
resid 65 and name HG*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  65 and name HN   ) ( segid SH3N and
resid 65 and name HB1  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  65 and name HN   ) ( segid SH3N and
resid 65 and name HB2  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  65 and name HN   ) ( segid SH3N and
resid 65 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  65 and name HA   ) ( segid SH3N and
resid 66 and name HA   ) 1.8 0.0 2.2
assign ( segid SH3N and resid  65 and name HA   ) ( segid SH3N and
resid 66 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  65 and name HA   ) ( segid SH3N and
resid 66 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  65 and name HB2  ) ( segid SH3N and
resid 66 and name HD*  ) 1.8 0.0 3.2
assign ( segid SH3N and resid  65 and name HG*  ) ( segid SH3N and
resid 66 and name HG*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  66 and name HA   ) ( segid SH3N and
resid 66 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  66 and name HA   ) ( segid SH3N and
resid 66 and name HG*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  66 and name HB*  ) ( segid SH3N and
resid 66 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  66 and name HG*  ) ( segid SH3N and
resid 66 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  65 and name O    ) ( segid SH3N and
resid 11 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  65 and name O    ) ( segid SH3N and
resid 11 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  34 and name O    ) ( segid SH3N and
resid 12 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  34 and name O    ) ( segid SH3N and
resid 12 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  63 and name O    ) ( segid SH3N and
resid 13 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  63 and name O    ) ( segid SH3N and
resid 13 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  61 and name O    ) ( segid SH3N and
resid 15 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  61 and name O    ) ( segid SH3N and
resid 15 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  28 and name O    ) ( segid SH3N and
resid 18 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  28 and name O    ) ( segid SH3N and
resid 18 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  56 and name O    ) ( segid SH3N and
resid 26 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  56 and name O    ) ( segid SH3N and
resid 26 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  18 and name O    ) ( segid SH3N and
resid 28 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  18 and name O    ) ( segid SH3N and
resid 28 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  14 and name O    ) ( segid SH3N and
resid 31 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  14 and name O    ) ( segid SH3N and
resid 31 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  49 and name O    ) ( segid SH3N and
resid 35 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  49 and name O    ) ( segid SH3N and
resid 35 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  10 and name O    ) ( segid SH3N and
resid 36 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  10 and name O    ) ( segid SH3N and
resid 36 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  47 and name O    ) ( segid SH3N and
resid 37 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  47 and name O    ) ( segid SH3N and
resid 37 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  57 and name O    ) ( segid SH3N and
resid 46 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  57 and name O    ) ( segid SH3N and
resid 46 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  38 and name O    ) ( segid SH3N and
resid 47 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  38 and name O    ) ( segid SH3N and
resid 47 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  55 and name O    ) ( segid SH3N and
resid 48 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  55 and name O    ) ( segid SH3N and
resid 48 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  35 and name O    ) ( segid SH3N and
resid 49 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  35 and name O    ) ( segid SH3N and
resid 49 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  53 and name O    ) ( segid SH3N and
resid 50 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  53 and name O    ) ( segid SH3N and
resid 50 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  50 and name O    ) ( segid SH3N and
resid 53 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  50 and name O    ) ( segid SH3N and
resid 53 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  48 and name O    ) ( segid SH3N and
resid 55 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  48 and name O    ) ( segid SH3N and
resid 55 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  24 and name O    ) ( segid SH3N and
resid 56 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  24 and name O    ) ( segid SH3N and
resid 56 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  46 and name O    ) ( segid SH3N and
resid 57 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  46 and name O    ) ( segid SH3N and
resid 57 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  44 and name O    ) ( segid SH3N and
resid 59 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  44 and name O    ) ( segid SH3N and
resid 59 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  58 and name O    ) ( segid SH3N and
resid 61 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  58 and name O    ) ( segid SH3N and
resid 61 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  59 and name O    ) ( segid SH3N and
resid 62 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  59 and name O    ) ( segid SH3N and
resid 62 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  13 and name O    ) ( segid SH3N and
resid 63 and name N    ) 3.0 0.2 0.2
assign ( segid SH3N and resid  13 and name O    ) ( segid SH3N and
resid 63 and name HN   ) 2.0 0.2 0.2
assign ( segid SH3N and resid  16 and name HE*  ) ( segid SOSA and
resid  4 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  16 and name HD*  ) ( segid SOSA and
resid  4 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  61 and name HD*  ) ( segid SOSA and
resid  7 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  61 and name HE*  ) ( segid SOSA and
resid  7 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  61 and name HE*  ) ( segid SOSA and
resid  4 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  16 and name HB1  ) ( segid SOSA and
resid  4 and name HD*  ) 1.8 0.0 0.7
assign ( segid SH3N and resid  16 and name HB2  ) ( segid SOSA and
resid  4 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HH2  ) ( segid SOSA and
resid  7 and name HD*  ) 1.8 0.0 2.2
assign ( segid SH3N and resid  45 and name HZ2  ) ( segid SOSA and
resid  7 and name HD*  ) 1.8 0.0 1.2
assign ( segid SH3N and resid  45 and name HZ2  ) ( segid SOSA and
resid  7 and name HA   ) 1.8 0.0 3.2
assign ( segid SH3N and resid  18 and name HE*  ) ( segid SOSA and
resid  7 and name HD*  ) 1.8 0.0 0.7
assign ( segid SOSA and resid   3 and name HD*  ) ( segid SOSA and
resid  4 and name HA   ) 1.8 0.0 2.2
assign ( segid SOSA and resid   7 and name HD*  ) ( segid SOSA and
resid  8 and name HD*  ) 1.8 0.0 1.2
assign ( segid SOSA and resid   7 and name HA   ) ( segid SOSA and
resid  8 and name HD*  ) 1.8 0.0 0.7
assign ( segid SOSA and resid   7 and name HA   ) ( segid SOSA and
resid  7 and name HD*  ) 1.8 0.0 0.7



  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY  -8           HT2      GLY  -8   1.248 -11.325 -11.325
    2   2H    GLY  -8           HT1      GLY  -8  -0.338 -11.266 -11.266
    3   3H    GLY  -8           HT3      GLY  -8   0.926 -11.828 -11.828
    4   1HA   GLY  -8           HA1      GLY  -8   1.749  -9.606  -9.606
    5   2HA   GLY  -8           HA2      GLY  -8   0.130  -9.515  -9.515
    6    H    SER  -7            HN      SER  -7  -0.201  -7.459  -7.459
    7    HA   SER  -7            HA      SER  -7   1.222  -6.778  -6.778
    8   1HB   SER  -7           HB2      SER  -7   1.340  -5.221  -5.221
    9   2HB   SER  -7           HB1      SER  -7   1.589  -4.435  -4.435
   10    HG   SER  -7            HG      SER  -7   3.446  -5.477  -5.477
   11    H    ARG  -6            HN      ARG  -6  -0.023  -5.497  -5.497
   12    HA   ARG  -6            HA      ARG  -6  -2.729  -4.742  -4.742
   13   1HB   ARG  -6           HB2      ARG  -6  -3.396  -4.852  -4.852
   14   2HB   ARG  -6           HB1      ARG  -6  -3.000  -6.398  -6.398
   15   1HG   ARG  -6           HG2      ARG  -6  -0.757  -6.338  -6.338
   16   2HG   ARG  -6           HG1      ARG  -6  -1.061  -4.736  -4.736
   17   1HD   ARG  -6           HD2      ARG  -6  -2.947  -5.699  -5.699
   18   2HD   ARG  -6           HD1      ARG  -6  -2.502  -7.298  -7.298
   19    HE   ARG  -6            HE      ARG  -6  -0.793  -7.307  -7.307
   20   1HH1  ARG  -6          HH21      ARG  -6   0.823  -5.126  -5.126
   21   2HH1  ARG  -6          HH22      ARG  -6   0.809  -3.927  -3.927
   22   1HH2  ARG  -6          HH11      ARG  -6  -1.900  -5.313  -5.313
   23   2HH2  ARG  -6          HH12      ARG  -6  -0.734  -4.032  -4.032
   24    H    ARG  -5            HN      ARG  -5  -3.091  -2.594  -2.594
   25    HA   ARG  -5            HA      ARG  -5  -1.577  -0.783  -0.783
   26   1HB   ARG  -5           HB2      ARG  -5  -1.827  -0.733  -0.733
   27   2HB   ARG  -5           HB1      ARG  -5  -1.876   0.818   0.818
   28   1HG   ARG  -5           HG2      ARG  -5   0.236   0.135   0.135
   29   2HG   ARG  -5           HG1      ARG  -5   0.317  -1.266  -1.266
   30   1HD   ARG  -5           HD2      ARG  -5   0.874  -0.006  -0.006
   31   2HD   ARG  -5           HD1      ARG  -5  -0.061   1.387   1.387
   32    HE   ARG  -5            HE      ARG  -5   2.457   0.717   0.717
   33   1HH1  ARG  -5          HH11      ARG  -5   0.468   3.228   3.228
   34   2HH1  ARG  -5          HH12      ARG  -5   1.567   4.376   4.376
   35   1HH2  ARG  -5          HH21      ARG  -5   3.938   1.995   1.995
   36   2HH2  ARG  -5          HH22      ARG  -5   3.530   3.678   3.678
   37    H    ALA  -4            HN      ALA  -4  -4.224  -1.794  -1.794
   38    HA   ALA  -4            HA      ALA  -4  -5.734   0.772   0.772
   39   1HB   ALA  -4           HB2      ALA  -4  -6.606  -1.913  -1.913
   40   2HB   ALA  -4           HB1      ALA  -4  -7.806  -0.789  -0.789
   41   3HB   ALA  -4           HB3      ALA  -4  -6.803  -0.323  -0.323
   42    H    SER  -3            HN      SER  -3  -4.281  -0.514  -0.514
   43    HA   SER  -3            HA      SER  -3  -6.477  -1.502  -1.502
   44   1HB   SER  -3           HB2      SER  -3  -4.364  -1.819  -1.819
   45   2HB   SER  -3           HB1      SER  -3  -4.701  -2.974  -2.974
   46    HG   SER  -3            HG      SER  -3  -2.583  -1.361  -1.361
   47    H    VAL  -2            HN      VAL  -2  -3.570   0.356   0.356
   48    HA   VAL  -2            HA      VAL  -2  -3.356   2.307   2.307
   49    HB   VAL  -2            HB      VAL  -2  -6.022   3.023   3.023
   50   1HG1  VAL  -2          HG12      VAL  -2  -3.760   4.682   4.682
   51   2HG1  VAL  -2          HG11      VAL  -2  -5.150   5.345   5.345
   52   3HG1  VAL  -2          HG13      VAL  -2  -5.381   4.505   4.505
   53   1HG2  VAL  -2          HG21      VAL  -2  -3.228   2.939   2.939
   54   2HG2  VAL  -2          HG23      VAL  -2  -4.754   2.678   2.678
   55   3HG2  VAL  -2          HG22      VAL  -2  -4.229   4.317   4.317
   56    H    GLY  -1            HN      GLY  -1  -3.670   1.058   1.058
   57   1HA   GLY  -1           HA2      GLY  -1  -5.606   2.114   2.114
   58   2HA   GLY  -1           HA1      GLY  -1  -6.243   0.584   0.584
   59    H    SER   0            HN      SER   0  -5.886  -0.976  -0.976
   60    HA   SER   0            HA      SER   0  -3.260  -1.797  -1.797
   61   1HB   SER   0           HB2      SER   0  -3.827  -1.258  -1.258
   62   2HB   SER   0           HB1      SER   0  -3.002  -0.074  -0.074
   63    HG   SER   0            HG      SER   0  -5.286   0.207   0.207
   64    H    MET   1            HN      MET   1  -3.596  -3.264  -3.264
   65    HA   MET   1            HA      MET   1  -5.920  -4.997  -4.997
   66   1HB   MET   1           HB2      MET   1  -3.242  -5.466  -5.466
   67   2HB   MET   1           HB1      MET   1  -4.577  -6.512  -6.512
   68   1HG   MET   1           HG2      MET   1  -3.505  -7.551  -7.551
   69   2HG   MET   1           HG1      MET   1  -5.065  -6.925  -6.925
   70   1HE   MET   1           HE3      MET   1  -5.123  -6.550  -6.550
   71   2HE   MET   1           HE2      MET   1  -4.064  -5.631  -5.631
   72   3HE   MET   1           HE1      MET   1  -3.598  -7.253  -7.253
   73    H    GLU   2            HN      GLU   2  -6.547  -6.291  -6.291
   74    HA   GLU   2            HA      GLU   2  -7.036  -4.207  -4.207
   75   1HB   GLU   2           HB2      GLU   2  -8.916  -5.500  -5.500
   76   2HB   GLU   2           HB1      GLU   2  -9.067  -6.264  -6.264
   77   1HG   GLU   2           HG2      GLU   2  -9.653  -4.260  -4.260
   78   2HG   GLU   2           HG1      GLU   2  -8.937  -3.271  -3.271
   79    H    ALA   3            HN      ALA   3  -7.801  -5.448  -5.448
   80    HA   ALA   3            HA      ALA   3  -6.687  -8.094  -8.094
   81   1HB   ALA   3           HB3      ALA   3  -5.447  -5.662  -5.662
   82   2HB   ALA   3           HB2      ALA   3  -5.222  -7.279  -7.279
   83   3HB   ALA   3           HB1      ALA   3  -4.682  -6.912  -6.912
   84    H    ILE   4            HN      ILE   4  -8.195  -9.034  -9.034
   85    HA   ILE   4            HA      ILE   4 -10.292  -7.760  -7.760
   86    HB   ILE   4            HB      ILE   4 -10.585  -9.918  -9.918
   87   1HG1  ILE   4          HG12      ILE   4 -10.651 -10.886 -10.886
   88   2HG1  ILE   4          HG11      ILE   4 -11.316  -9.260  -9.260
   89   1HG2  ILE   4          HG23      ILE   4  -8.063 -10.461 -10.461
   90   2HG2  ILE   4          HG22      ILE   4  -9.251 -11.738 -11.738
   91   3HG2  ILE   4          HG21      ILE   4  -8.810 -11.270 -11.270
   92   1HD1  ILE   4          HD12      ILE   4 -12.074 -11.533 -11.533
   93   2HD1  ILE   4          HD11      ILE   4 -12.958 -11.125 -11.125
   94   3HD1  ILE   4          HD13      ILE   4 -12.858  -9.961  -9.961
   95    H    ALA   5            HN      ALA   5 -10.321  -6.813  -6.813
   96    HA   ALA   5            HA      ALA   5  -8.200  -7.142  -7.142
   97   1HB   ALA   5           HB2      ALA   5 -10.834  -5.661  -5.661
   98   2HB   ALA   5           HB1      ALA   5  -9.940  -5.846  -5.846
   99   3HB   ALA   5           HB3      ALA   5  -9.204  -5.001  -5.001
  100    H    LYS   6            HN      LYS   6  -8.166  -9.138  -9.138
  101    HA   LYS   6            HA      LYS   6 -10.446 -10.845 -10.845
  102   1HB   LYS   6           HB2      LYS   6  -7.793 -10.924 -10.924
  103   2HB   LYS   6           HB1      LYS   6  -8.949 -12.250 -12.250
  104   1HG   LYS   6           HG2      LYS   6  -8.628 -12.438 -12.438
  105   2HG   LYS   6           HG1      LYS   6  -7.757 -10.905 -10.905
  106   1HD   LYS   6           HD2      LYS   6  -6.005 -12.438 -12.438
  107   2HD   LYS   6           HD1      LYS   6  -6.116 -12.074 -12.074
  108   1HE   LYS   6           HE2      LYS   6  -7.860 -14.274 -14.274
  109   2HE   LYS   6           HE1      LYS   6  -6.128 -14.603 -14.603
  110   1HZ   LYS   6           HZ1      LYS   6  -6.102 -13.752 -13.752
  111   2HZ   LYS   6           HZ3      LYS   6  -7.796 -13.825 -13.825
  112   3HZ   LYS   6           HZ2      LYS   6  -6.882 -15.243 -15.243
  113    H    TYR   7            HN      TYR   7  -9.105  -8.314  -8.314
  114    HA   TYR   7            HA      TYR   7 -11.308  -8.784  -8.784
  115   1HB   TYR   7           HB2      TYR   7  -8.483  -8.292  -8.292
  116   2HB   TYR   7           HB1      TYR   7  -9.888  -8.727  -8.727
  117    HD1  TYR   7           HD2      TYR   7  -7.648  -9.953  -9.953
  118    HD2  TYR   7           HD1      TYR   7 -10.415 -11.004 -11.004
  119    HE1  TYR   7           HE2      TYR   7  -7.034 -12.326 -12.326
  120    HE2  TYR   7           HE1      TYR   7  -9.818 -13.399 -13.399
  121    HH   TYR   7            HH      TYR   7  -8.858 -14.864 -14.864
  122    H    ASP   8            HN      ASP   8 -10.937  -6.968  -6.968
  123    HA   ASP   8            HA      ASP   8 -11.229  -4.446  -4.446
  124   1HB   ASP   8           HB2      ASP   8 -12.061  -5.594  -5.594
  125   2HB   ASP   8           HB1      ASP   8 -11.248  -4.056  -4.056
  126    H    PHE   9            HN      PHE   9 -10.060  -2.494  -2.494
  127    HA   PHE   9            HA      PHE   9  -7.771  -2.564  -2.564
  128   1HB   PHE   9           HB2      PHE   9  -7.262  -3.890  -3.890
  129   2HB   PHE   9           HB1      PHE   9  -6.557  -2.296  -2.296
  130    HD1  PHE   9           HD1      PHE   9  -6.048  -2.095  -2.095
  131    HD2  PHE   9           HD2      PHE   9  -5.014  -4.898  -4.898
  132    HE1  PHE   9           HE1      PHE   9  -4.054  -2.791  -2.791
  133    HE2  PHE   9           HE2      PHE   9  -3.024  -5.602  -5.602
  134    HZ   PHE   9            HZ      PHE   9  -2.545  -4.547  -4.547
  135    H    LYS  10            HN      LYS  10  -6.285  -0.562  -0.562
  136    HA   LYS  10            HA      LYS  10  -7.697   1.491   1.491
  137   1HB   LYS  10           HB2      LYS  10  -7.961   3.052   3.052
  138   2HB   LYS  10           HB1      LYS  10  -8.614   1.530   1.530
  139   1HG   LYS  10           HG2      LYS  10  -6.494   1.069   1.069
  140   2HG   LYS  10           HG1      LYS  10  -5.836   2.596   2.596
  141   1HD   LYS  10           HD2      LYS  10  -8.450   2.629   2.629
  142   2HD   LYS  10           HD1      LYS  10  -6.958   2.467   2.467
  143   1HE   LYS  10           HE2      LYS  10  -7.283   4.802   4.802
  144   2HE   LYS  10           HE1      LYS  10  -6.117   4.489   4.489
  145   1HZ   LYS  10           HZ2      LYS  10  -8.943   4.330   4.330
  146   2HZ   LYS  10           HZ1      LYS  10  -8.326   5.878   5.878
  147   3HZ   LYS  10           HZ3      LYS  10  -7.624   4.932   4.932
  148    H    ALA  11            HN      ALA  11  -6.370   3.583   3.583
  149    HA   ALA  11            HA      ALA  11  -3.662   2.782   2.782
  150   1HB   ALA  11           HB2      ALA  11  -5.020   4.446   4.446
  151   2HB   ALA  11           HB1      ALA  11  -4.760   5.586   5.586
  152   3HB   ALA  11           HB3      ALA  11  -3.377   4.957   4.957
  153    H    THR  12            HN      THR  12  -1.917   3.073   3.073
  154    HA   THR  12            HA      THR  12  -2.429   4.599   4.599
  155    HB   THR  12            HB      THR  12  -0.409   3.227   3.227
  156    HG1  THR  12           HG1      THR  12  -1.180   1.603   1.603
  157   1HG2  THR  12          HG23      THR  12  -3.066   1.966   1.966
  158   2HG2  THR  12          HG22      THR  12  -1.885   1.197   1.197
  159   3HG2  THR  12          HG21      THR  12  -2.617   2.733   2.733
  160    H    ALA  13            HN      ALA  13   0.211   3.811   3.811
  161    HA   ALA  13            HA      ALA  13   1.897   5.995   5.995
  162   1HB   ALA  13           HB2      ALA  13   1.906   4.118   4.118
  163   2HB   ALA  13           HB1      ALA  13   2.940   5.551   5.551
  164   3HB   ALA  13           HB3      ALA  13   3.131   4.347   4.347
  165    H    ASP  14            HN      ASP  14   2.536   7.735   7.735
  166    HA   ASP  14            HA      ASP  14   0.321   9.354   9.354
  167   1HB   ASP  14           HB2      ASP  14   2.772   9.872   9.872
  168   2HB   ASP  14           HB1      ASP  14   3.066   9.752   9.752
  169    H    ASP  15            HN      ASP  15   1.950   6.881   6.881
  170    HA   ASP  15            HA      ASP  15   0.592   7.704   7.704
  171   1HB   ASP  15           HB2      ASP  15   3.190   7.825   7.825
  172   2HB   ASP  15           HB1      ASP  15   3.092   6.070   6.070
  173    H    GLU  16            HN      GLU  16  -0.444   5.963   5.963
  174    HA   GLU  16            HA      GLU  16  -0.282   3.281   3.281
  175   1HB   GLU  16           HB2      GLU  16  -0.006   3.692   3.692
  176   2HB   GLU  16           HB1      GLU  16  -1.754   3.923   3.923
  177   1HG   GLU  16           HG2      GLU  16  -2.191   1.726   1.726
  178   2HG   GLU  16           HG1      GLU  16  -0.740   1.533   1.533
  179    H    LEU  17            HN      LEU  17  -2.500   2.097   2.097
  180    HA   LEU  17            HA      LEU  17  -4.596   4.022   4.022
  181   1HB   LEU  17           HB2      LEU  17  -3.537   2.871   2.871
  182   2HB   LEU  17           HB1      LEU  17  -3.947   1.323   1.323
  183    HG   LEU  17            HG      LEU  17  -6.348   1.902   1.902
  184   1HD1  LEU  17          HD12      LEU  17  -5.191   4.504   4.504
  185   2HD1  LEU  17          HD11      LEU  17  -6.532   3.977   3.977
  186   3HD1  LEU  17          HD13      LEU  17  -6.753   4.142   4.142
  187   1HD2  LEU  17          HD23      LEU  17  -5.117   0.719   0.719
  188   2HD2  LEU  17          HD22      LEU  17  -6.553   1.602   1.602
  189   3HD2  LEU  17          HD21      LEU  17  -4.953   2.286   2.286
  190    H    SER  18            HN      SER  18  -6.738   3.543   3.543
  191    HA   SER  18            HA      SER  18  -7.071   1.554   1.554
  192   1HB   SER  18           HB2      SER  18  -9.083   3.530   3.530
  193   2HB   SER  18           HB1      SER  18  -8.717   2.892   2.892
  194    HG   SER  18            HG      SER  18  -7.868   5.136   5.136
  195    H    PHE  19            HN      PHE  19  -9.048   0.250   0.250
  196    HA   PHE  19            HA      PHE  19 -10.890   0.123   0.123
  197   1HB   PHE  19           HB2      PHE  19 -10.143  -1.909  -1.909
  198   2HB   PHE  19           HB1      PHE  19  -8.923  -0.648  -0.648
  199    HD1  PHE  19           HD2      PHE  19  -9.865  -3.710  -3.710
  200    HD2  PHE  19           HD1      PHE  19  -6.724  -0.958  -0.958
  201    HE1  PHE  19           HE2      PHE  19  -8.192  -5.237  -5.237
  202    HE2  PHE  19           HE1      PHE  19  -5.056  -2.481  -2.481
  203    HZ   PHE  19            HZ      PHE  19  -5.790  -4.621  -4.621
  204    H    LYS  20            HN      LYS  20 -12.307  -1.805  -1.805
  205    HA   LYS  20            HA      LYS  20 -12.263  -2.907  -2.907
  206   1HB   LYS  20           HB2      LYS  20 -14.623  -2.587  -2.587
  207   2HB   LYS  20           HB1      LYS  20 -14.679  -3.069  -3.069
  208   1HG   LYS  20           HG2      LYS  20 -13.238  -0.551  -0.551
  209   2HG   LYS  20           HG1      LYS  20 -14.913  -0.476  -0.476
  210   1HD   LYS  20           HD2      LYS  20 -15.148  -1.793  -1.793
  211   2HD   LYS  20           HD1      LYS  20 -13.819  -0.679  -0.679
  212   1HE   LYS  20           HE2      LYS  20 -15.135   1.207   1.207
  213   2HE   LYS  20           HE1      LYS  20 -16.263   0.354   0.354
  214   1HZ   LYS  20           HZ3      LYS  20 -16.952  -0.934  -0.934
  215   2HZ   LYS  20           HZ2      LYS  20 -16.030   0.137   0.137
  216   3HZ   LYS  20           HZ1      LYS  20 -17.354   0.712   0.712
  217    H    ARG  21            HN      ARG  21 -13.781  -4.984  -4.984
  218    HA   ARG  21            HA      ARG  21 -12.352  -7.001  -7.001
  219   1HB   ARG  21           HB2      ARG  21 -13.414  -7.228  -7.228
  220   2HB   ARG  21           HB1      ARG  21 -14.978  -7.274  -7.274
  221   1HG   ARG  21           HG2      ARG  21 -14.540  -9.329  -9.329
  222   2HG   ARG  21           HG1      ARG  21 -12.789  -9.127  -9.127
  223   1HD   ARG  21           HD2      ARG  21 -12.773  -9.595  -9.595
  224   2HD   ARG  21           HD1      ARG  21 -14.491  -9.257  -9.257
  225    HE   ARG  21            HE      ARG  21 -14.266 -11.467 -11.467
  226   1HH1  ARG  21          HH11      ARG  21 -12.384 -11.166 -11.166
  227   2HH1  ARG  21          HH12      ARG  21 -13.058 -12.517 -12.517
  228   1HH2  ARG  21          HH21      ARG  21 -15.643 -12.981 -12.981
  229   2HH2  ARG  21          HH22      ARG  21 -14.903 -13.542 -13.542
  230    H    GLY  22            HN      GLY  22 -12.674  -6.845  -6.845
  231   1HA   GLY  22           HA2      GLY  22 -14.152  -7.884  -7.884
  232   2HA   GLY  22           HA1      GLY  22 -15.501  -7.064  -7.064
  233    H    ASP  23            HN      ASP  23 -12.984  -4.902  -4.902
  234    HA   ASP  23            HA      ASP  23 -14.008  -3.389  -3.389
  235   1HB   ASP  23           HB2      ASP  23 -12.460  -2.935  -2.935
  236   2HB   ASP  23           HB1      ASP  23 -12.041  -1.917  -1.917
  237    H    ILE  24            HN      ILE  24 -13.129  -4.547  -4.547
  238    HA   ILE  24            HA      ILE  24 -10.343  -5.263  -5.263
  239    HB   ILE  24            HB      ILE  24 -12.039  -4.839  -4.839
  240   1HG1  ILE  24          HG12      ILE  24 -12.165  -7.057  -7.057
  241   2HG1  ILE  24          HG11      ILE  24 -13.503  -6.127  -6.127
  242   1HG2  ILE  24          HG23      ILE  24  -9.452  -5.563  -5.563
  243   2HG2  ILE  24          HG22      ILE  24 -10.200  -7.144  -7.144
  244   3HG2  ILE  24          HG21      ILE  24 -10.450  -6.180  -6.180
  245   1HD1  ILE  24          HD11      ILE  24 -12.502  -7.263  -7.263
  246   2HD1  ILE  24          HD13      ILE  24 -12.148  -8.517  -8.517
  247   3HD1  ILE  24          HD12      ILE  24 -13.807  -7.962  -7.962
  248    H    LEU  25            HN      LEU  25  -8.629  -4.095  -4.095
  249    HA   LEU  25            HA      LEU  25  -9.070  -1.219  -1.219
  250   1HB   LEU  25           HB2      LEU  25  -6.505  -2.608  -2.608
  251   2HB   LEU  25           HB1      LEU  25  -6.839  -0.876  -0.876
  252    HG   LEU  25            HG      LEU  25  -8.864  -1.639  -1.639
  253   1HD1  LEU  25          HD12      LEU  25  -6.971  -3.958  -3.958
  254   2HD1  LEU  25          HD11      LEU  25  -7.713  -3.506  -3.506
  255   3HD1  LEU  25          HD13      LEU  25  -8.728  -3.953  -3.953
  256   1HD2  LEU  25          HD22      LEU  25  -5.963  -1.238  -1.238
  257   2HD2  LEU  25          HD21      LEU  25  -7.314  -0.123  -0.123
  258   3HD2  LEU  25          HD23      LEU  25  -7.156  -1.516  -1.516
  259    H    LYS  26            HN      LYS  26  -7.246  -0.213  -0.213
  260    HA   LYS  26            HA      LYS  26  -6.943  -2.017  -2.017
  261   1HB   LYS  26           HB2      LYS  26  -6.991   1.008   1.008
  262   2HB   LYS  26           HB1      LYS  26  -6.660   0.137   0.137
  263   1HG   LYS  26           HG2      LYS  26  -8.941  -1.109  -1.109
  264   2HG   LYS  26           HG1      LYS  26  -9.222   0.477   0.477
  265   1HD   LYS  26           HD2      LYS  26  -8.558   1.465   1.465
  266   2HD   LYS  26           HD1      LYS  26  -8.694  -0.174  -0.174
  267   1HE   LYS  26           HE2      LYS  26 -10.858   0.536   0.536
  268   2HE   LYS  26           HE1      LYS  26 -11.037  -0.074  -0.074
  269   1HZ   LYS  26           HZ3      LYS  26 -10.245   2.723   2.723
  270   2HZ   LYS  26           HZ2      LYS  26 -11.882   2.266   2.266
  271   3HZ   LYS  26           HZ1      LYS  26 -10.951   2.052   2.052
  272    H    VAL  27            HN      VAL  27  -4.916  -2.982  -2.982
  273    HA   VAL  27            HA      VAL  27  -2.688  -1.706  -1.706
  274    HB   VAL  27            HB      VAL  27  -2.589  -3.946  -3.946
  275   1HG1  VAL  27          HG12      VAL  27  -0.478  -2.576  -2.576
  276   2HG1  VAL  27          HG11      VAL  27  -0.711  -3.683  -3.683
  277   3HG1  VAL  27          HG13      VAL  27  -0.415  -4.319  -4.319
  278   1HG2  VAL  27          HG21      VAL  27  -2.900  -4.008  -4.008
  279   2HG2  VAL  27          HG23      VAL  27  -4.141  -4.460  -4.460
  280   3HG2  VAL  27          HG22      VAL  27  -2.672  -5.423  -5.423
  281    H    LEU  28            HN      LEU  28  -1.952   0.197   0.197
  282    HA   LEU  28            HA      LEU  28  -1.712   0.751   0.751
  283   1HB   LEU  28           HB2      LEU  28  -0.404   2.568   2.568
  284   2HB   LEU  28           HB1      LEU  28  -1.342   2.971   2.971
  285    HG   LEU  28            HG      LEU  28  -3.155   1.747   1.747
  286   1HD1  LEU  28          HD11      LEU  28  -1.284   3.753   3.753
  287   2HD1  LEU  28          HD13      LEU  28  -2.890   3.408   3.408
  288   3HD1  LEU  28          HD12      LEU  28  -1.676   2.133   2.133
  289   1HD2  LEU  28          HD22      LEU  28  -3.046   3.961   3.961
  290   2HD2  LEU  28          HD21      LEU  28  -4.400   3.542   3.542
  291   3HD2  LEU  28          HD23      LEU  28  -3.179   4.686   4.686
  292    H    ASN  29            HN      ASN  29   0.275  -0.224  -0.224
  293    HA   ASN  29            HA      ASN  29   2.463  -0.902  -0.902
  294   1HB   ASN  29           HB2      ASN  29   2.507   1.682   1.682
  295   2HB   ASN  29           HB1      ASN  29   3.473   0.872   0.872
  296   1HD2  ASN  29          HD22      ASN  29   5.725   1.838   1.838
  297   2HD2  ASN  29          HD21      ASN  29   4.689   2.701   2.701
  298    H    GLU  30            HN      GLU  30   4.516  -1.430  -1.430
  299    HA   GLU  30            HA      GLU  30   3.537  -2.830  -2.830
  300   1HB   GLU  30           HB2      GLU  30   3.976  -4.182  -4.182
  301   2HB   GLU  30           HB1      GLU  30   5.546  -4.324  -4.324
  302   1HG   GLU  30           HG2      GLU  30   4.134  -4.973  -4.973
  303   2HG   GLU  30           HG1      GLU  30   2.871  -5.323  -5.323
  304    H    GLU  31            HN      GLU  31   4.744  -0.597  -0.597
  305    HA   GLU  31            HA      GLU  31   7.682  -0.856  -0.856
  306   1HB   GLU  31           HB2      GLU  31   5.839   1.298   1.298
  307   2HB   GLU  31           HB1      GLU  31   7.599   1.393   1.393
  308   1HG   GLU  31           HG2      GLU  31   7.497   1.059   1.059
  309   2HG   GLU  31           HG1      GLU  31   5.742   1.205   1.205
  310    H    CYS  32            HN      CYS  32   8.614  -0.030  -0.030
  311    HA   CYS  32            HA      CYS  32   9.001  -0.579  -0.579
  312   1HB   CYS  32           HB2      CYS  32   6.320   0.039   0.039
  313   2HB   CYS  32           HB1      CYS  32   6.278  -1.597  -1.597
  314    HG   CYS  32            HG      CYS  32   8.238  -0.428  -0.428
  315    H    ASP  33            HN      ASP  33   8.096  -2.602  -2.602
  316    HA   ASP  33            HA      ASP  33   9.542  -4.821  -4.821
  317   1HB   ASP  33           HB2      ASP  33   7.997  -4.203  -4.203
  318   2HB   ASP  33           HB1      ASP  33   6.914  -5.324  -5.324
  319    H    GLN  34            HN      GLN  34   8.804  -7.061  -7.061
  320    HA   GLN  34            HA      GLN  34   7.209  -6.924  -6.924
  321   1HB   GLN  34           HB2      GLN  34   9.488  -8.260  -8.260
  322   2HB   GLN  34           HB1      GLN  34   8.333  -9.514  -9.514
  323   1HG   GLN  34           HG2      GLN  34   7.161  -8.891  -8.891
  324   2HG   GLN  34           HG1      GLN  34   8.723  -8.185  -8.185
  325   1HE2  GLN  34          HE22      GLN  34   8.571 -11.883 -11.883
  326   2HE2  GLN  34          HE21      GLN  34   7.487 -10.610 -10.610
  327    H    ASN  35            HN      ASN  35   6.144  -6.872  -6.872
  328    HA   ASN  35            HA      ASN  35   4.243  -9.110  -9.110
  329   1HB   ASN  35           HB2      ASN  35   5.265  -7.752  -7.752
  330   2HB   ASN  35           HB1      ASN  35   3.925  -8.906  -8.906
  331   1HD2  ASN  35          HD22      ASN  35   6.354 -11.429 -11.429
  332   2HD2  ASN  35          HD21      ASN  35   5.004 -10.619 -10.619
  333    H    TRP  36            HN      TRP  36   4.594  -5.723  -5.723
  334    HA   TRP  36            HA      TRP  36   1.610  -5.489  -5.489
  335   1HB   TRP  36           HB2      TRP  36   3.593  -3.257  -3.257
  336   2HB   TRP  36           HB1      TRP  36   1.847  -3.222  -3.222
  337    HD1  TRP  36           HD1      TRP  36   4.625  -5.745  -5.745
  338    HE1  TRP  36           HE1      TRP  36   4.401  -6.082  -6.082
  339    HE3  TRP  36           HE3      TRP  36   0.664  -2.589  -2.589
  340    HZ2  TRP  36           HZ2      TRP  36   2.866  -5.160  -5.160
  341    HZ3  TRP  36           HZ3      TRP  36  -0.086  -2.339  -2.339
  342    HH2  TRP  36           HH2      TRP  36   0.993  -3.625  -3.625
  343    H    TYR  37            HN      TYR  37   0.558  -4.596  -4.596
  344    HA   TYR  37            HA      TYR  37   2.071  -3.949  -3.949
  345   1HB   TYR  37           HB2      TYR  37  -0.900  -4.176  -4.176
  346   2HB   TYR  37           HB1      TYR  37  -0.233  -3.800  -3.800
  347    HD1  TYR  37           HD1      TYR  37   2.159  -5.696  -5.696
  348    HD2  TYR  37           HD2      TYR  37  -1.954  -6.224  -6.224
  349    HE1  TYR  37           HE1      TYR  37   2.329  -8.115  -8.115
  350    HE2  TYR  37           HE2      TYR  37  -1.794  -8.639  -8.639
  351    HH   TYR  37            HH      TYR  37  -0.332 -10.092 -10.092
  352    H    LYS  38            HN      LYS  38   0.775  -2.154  -2.154
  353    HA   LYS  38            HA      LYS  38   0.269   0.237   0.237
  354   1HB   LYS  38           HB2      LYS  38   2.498   0.309   0.309
  355   2HB   LYS  38           HB1      LYS  38   1.525   0.303   0.303
  356   1HG   LYS  38           HG2      LYS  38   0.293   2.240   2.240
  357   2HG   LYS  38           HG1      LYS  38   2.002   2.467   2.467
  358   1HD   LYS  38           HD2      LYS  38   1.839   2.058   2.058
  359   2HD   LYS  38           HD1      LYS  38   0.545   3.183   3.183
  360   1HE   LYS  38           HE2      LYS  38   2.276   4.478   4.478
  361   2HE   LYS  38           HE1      LYS  38   3.497   3.470   3.470
  362   1HZ   LYS  38           HZ3      LYS  38   2.427   4.187   4.187
  363   2HZ   LYS  38           HZ2      LYS  38   1.620   5.380   5.380
  364   3HZ   LYS  38           HZ1      LYS  38   3.317   5.368   5.368
  365    H    ALA  39            HN      ALA  39  -1.838   0.929   0.929
  366    HA   ALA  39            HA      ALA  39  -2.987   0.507   0.507
  367   1HB   ALA  39           HB3      ALA  39  -3.277  -1.640  -1.640
  368   2HB   ALA  39           HB2      ALA  39  -4.170  -0.800  -0.800
  369   3HB   ALA  39           HB1      ALA  39  -4.820  -0.864  -0.864
  370    H    GLU  40            HN      GLU  40  -5.522   0.912   0.912
  371    HA   GLU  40            HA      GLU  40  -5.872   3.249   3.249
  372   1HB   GLU  40           HB2      GLU  40  -5.435   4.750   4.750
  373   2HB   GLU  40           HB1      GLU  40  -4.833   3.435   3.435
  374   1HG   GLU  40           HG2      GLU  40  -7.032   3.212   3.212
  375   2HG   GLU  40           HG1      GLU  40  -7.728   4.396   4.396
  376    H    LEU  41            HN      LEU  41  -7.800   3.505   3.505
  377    HA   LEU  41            HA      LEU  41  -9.976   1.864   1.864
  378   1HB   LEU  41           HB2      LEU  41  -9.431   2.940   2.940
  379   2HB   LEU  41           HB1      LEU  41 -11.124   2.769   2.769
  380    HG   LEU  41            HG      LEU  41  -9.184   0.562   0.562
  381   1HD1  LEU  41          HD13      LEU  41  -9.411   1.510   1.510
  382   2HD1  LEU  41          HD12      LEU  41 -10.866   0.511   0.511
  383   3HD1  LEU  41          HD11      LEU  41  -9.289  -0.216  -0.216
  384   1HD2  LEU  41          HD23      LEU  41 -11.515   0.713   0.713
  385   2HD2  LEU  41          HD22      LEU  41 -11.182  -0.758  -0.758
  386   3HD2  LEU  41          HD21      LEU  41 -12.133   0.541   0.541
  387    H    ASN  42            HN      ASN  42 -10.685   2.897   2.897
  388    HA   ASN  42            HA      ASN  42 -11.726   4.572   4.572
  389   1HB   ASN  42           HB2      ASN  42 -13.131   4.206   4.206
  390   2HB   ASN  42           HB1      ASN  42 -13.649   5.555   5.555
  391   1HD2  ASN  42          HD22      ASN  42 -14.779   1.830   1.830
  392   2HD2  ASN  42          HD21      ASN  42 -14.071   2.223   2.223
  393    H    GLY  43            HN      GLY  43  -9.458   5.718   5.718
  394   1HA   GLY  43           HA2      GLY  43  -9.296   8.309   8.309
  395   2HA   GLY  43           HA1      GLY  43 -10.464   8.425   8.425
  396    H    LYS  44            HN      LYS  44  -9.282   6.413   6.413
  397    HA   LYS  44            HA      LYS  44  -7.030   7.951   7.951
  398   1HB   LYS  44           HB2      LYS  44  -8.846   5.853   5.853
  399   2HB   LYS  44           HB1      LYS  44  -7.220   6.028   6.028
  400   1HG   LYS  44           HG2      LYS  44  -7.597   8.119   8.119
  401   2HG   LYS  44           HG1      LYS  44  -8.782   8.518   8.518
  402   1HD   LYS  44           HD2      LYS  44  -9.268   6.544   6.544
  403   2HD   LYS  44           HD1      LYS  44  -9.821   8.219   8.219
  404   1HE   LYS  44           HE2      LYS  44 -10.557   6.849   6.849
  405   2HE   LYS  44           HE1      LYS  44 -11.207   6.034   6.034
  406   1HZ   LYS  44           HZ3      LYS  44 -11.866   8.395   8.395
  407   2HZ   LYS  44           HZ2      LYS  44 -11.660   8.797   8.797
  408   3HZ   LYS  44           HZ1      LYS  44 -12.797   7.619   7.619
  409    H    ASP  45            HN      ASP  45  -5.260   6.484   6.484
  410    HA   ASP  45            HA      ASP  45  -4.748   4.080   4.080
  411   1HB   ASP  45           HB2      ASP  45  -3.458   4.740   4.740
  412   2HB   ASP  45           HB1      ASP  45  -4.512   6.131   6.131
  413    H    GLY  46            HN      GLY  46  -2.218   3.584   3.584
  414   1HA   GLY  46           HA2      GLY  46  -0.208   4.324   4.324
  415   2HA   GLY  46           HA1      GLY  46  -1.316   4.344   4.344
  416    H    PHE  47            HN      PHE  47   0.659   2.860   2.860
  417    HA   PHE  47            HA      PHE  47   0.853   0.227   0.227
  418   1HB   PHE  47           HB2      PHE  47   1.578   1.275   1.275
  419   2HB   PHE  47           HB1      PHE  47   2.119  -0.262  -0.262
  420    HD1  PHE  47           HD1      PHE  47   3.035   0.035   0.035
  421    HD2  PHE  47           HD2      PHE  47   3.100   3.021   3.021
  422    HE1  PHE  47           HE1      PHE  47   4.884   1.201   1.201
  423    HE2  PHE  47           HE2      PHE  47   4.951   4.187   4.187
  424    HZ   PHE  47            HZ      PHE  47   5.843   3.277   3.277
  425    H    ILE  48            HN      ILE  48   0.147  -1.818  -1.818
  426    HA   ILE  48            HA      ILE  48  -1.849  -1.762  -1.762
  427    HB   ILE  48            HB      ILE  48  -3.393  -3.202  -3.202
  428   1HG1  ILE  48          HG12      ILE  48  -1.765  -1.900  -1.900
  429   2HG1  ILE  48          HG11      ILE  48  -1.704  -3.611  -3.611
  430   1HG2  ILE  48          HG23      ILE  48  -3.659  -0.717  -0.717
  431   2HG2  ILE  48          HG22      ILE  48  -3.110  -0.383  -0.383
  432   3HG2  ILE  48          HG21      ILE  48  -4.585  -1.312  -1.312
  433   1HD1  ILE  48          HD13      ILE  48  -4.449  -2.676  -2.676
  434   2HD1  ILE  48          HD12      ILE  48  -3.452  -2.439  -2.439
  435   3HD1  ILE  48          HD11      ILE  48  -3.617  -4.048  -4.048
  436    HA   PRO  49            HA      PRO  49   0.593  -5.450  -5.450
  437   1HB   PRO  49           HB2      PRO  49  -0.892  -6.609  -6.609
  438   2HB   PRO  49           HB1      PRO  49   0.334  -5.357  -5.357
  439   1HG   PRO  49           HG2      PRO  49  -2.665  -5.106  -5.106
  440   2HG   PRO  49           HG1      PRO  49  -1.469  -4.152  -4.152
  441   1HD   PRO  49           HD2      PRO  49  -2.724  -3.269  -3.269
  442   2HD   PRO  49           HD1      PRO  49  -1.223  -2.625  -2.625
  443    H    LYS  50            HN      LYS  50   0.412  -6.923  -6.923
  444    HA   LYS  50            HA      LYS  50  -1.910  -7.812  -7.812
  445   1HB   LYS  50           HB2      LYS  50   0.389  -8.041  -8.041
  446   2HB   LYS  50           HB1      LYS  50   0.700  -9.247  -9.247
  447   1HG   LYS  50           HG2      LYS  50  -1.142 -10.629 -10.629
  448   2HG   LYS  50           HG1      LYS  50  -1.188  -9.470  -9.470
  449   1HD   LYS  50           HD2      LYS  50   0.884 -10.103 -10.103
  450   2HD   LYS  50           HD1      LYS  50   1.502 -10.502 -10.502
  451   1HE   LYS  50           HE2      LYS  50   1.233 -12.653 -12.653
  452   2HE   LYS  50           HE1      LYS  50  -0.445 -12.391 -12.391
  453   1HZ   LYS  50           HZ2      LYS  50  -0.910 -11.651 -11.651
  454   2HZ   LYS  50           HZ1      LYS  50   0.695 -11.988 -11.988
  455   3HZ   LYS  50           HZ3      LYS  50  -0.334 -13.249 -13.249
  456    H    ASN  51            HN      ASN  51  -0.800  -8.831  -8.831
  457    HA   ASN  51            HA      ASN  51  -1.831 -11.403 -11.403
  458   1HB   ASN  51           HB2      ASN  51  -1.028  -9.407  -9.407
  459   2HB   ASN  51           HB1      ASN  51  -2.008 -10.705 -10.705
  460   1HD2  ASN  51          HD22      ASN  51   1.623 -11.727 -11.727
  461   2HD2  ASN  51          HD21      ASN  51   0.740 -10.445 -10.445
  462    H    TYR  52            HN      TYR  52  -3.306  -8.319  -8.319
  463    HA   TYR  52            HA      TYR  52  -5.921  -9.483  -9.483
  464   1HB   TYR  52           HB2      TYR  52  -4.870  -6.655  -6.655
  465   2HB   TYR  52           HB1      TYR  52  -6.574  -6.999  -6.999
  466    HD1  TYR  52           HD2      TYR  52  -3.420  -8.328  -8.328
  467    HD2  TYR  52           HD1      TYR  52  -7.284  -6.609  -6.609
  468    HE1  TYR  52           HE2      TYR  52  -3.111  -8.367  -8.367
  469    HE2  TYR  52           HE1      TYR  52  -6.979  -6.615  -6.615
  470    HH   TYR  52            HH      TYR  52  -4.370  -8.313  -8.313
  471    H    ILE  53            HN      ILE  53  -4.540  -9.795  -9.795
  472    HA   ILE  53            HA      ILE  53  -6.681  -8.899  -8.899
  473    HB   ILE  53            HB      ILE  53  -4.116  -8.072  -8.072
  474   1HG1  ILE  53          HG12      ILE  53  -5.477  -6.291  -6.291
  475   2HG1  ILE  53          HG11      ILE  53  -4.026  -7.225  -7.225
  476   1HG2  ILE  53          HG23      ILE  53  -6.942  -7.224  -7.224
  477   2HG2  ILE  53          HG22      ILE  53  -5.717  -6.038  -6.038
  478   3HG2  ILE  53          HG21      ILE  53  -5.826  -7.530  -7.530
  479   1HD1  ILE  53          HD12      ILE  53  -3.373  -6.019  -6.019
  480   2HD1  ILE  53          HD11      ILE  53  -4.343  -4.782  -4.782
  481   3HD1  ILE  53          HD13      ILE  53  -2.910  -5.425  -5.425
  482    H    GLU  54            HN      GLU  54  -6.177  -9.420  -9.420
  483    HA   GLU  54            HA      GLU  54  -4.319 -11.527 -11.527
  484   1HB   GLU  54           HB2      GLU  54  -7.130 -12.029 -12.029
  485   2HB   GLU  54           HB1      GLU  54  -6.617 -12.448 -12.448
  486   1HG   GLU  54           HG2      GLU  54  -4.638 -13.657 -13.657
  487   2HG   GLU  54           HG1      GLU  54  -5.638 -13.561 -13.561
  488    H    MET  55            HN      MET  55  -4.072 -11.810 -11.810
  489    HA   MET  55            HA      MET  55  -4.631  -9.214  -9.214
  490   1HB   MET  55           HB2      MET  55  -2.308 -10.475 -10.475
  491   2HB   MET  55           HB1      MET  55  -2.901 -11.291 -11.291
  492   1HG   MET  55           HG2      MET  55  -3.515  -8.764  -8.764
  493   2HG   MET  55           HG1      MET  55  -2.153  -8.432  -8.432
  494   1HE   MET  55           HE2      MET  55  -2.963  -8.276  -8.276
  495   2HE   MET  55           HE1      MET  55  -1.973  -9.287  -9.287
  496   3HE   MET  55           HE3      MET  55  -3.351  -9.985  -9.985
  497    H    LYS  56            HN      LYS  56  -6.488  -9.169  -9.169
  498    HA   LYS  56            HA      LYS  56  -7.166 -11.509 -11.509
  499   1HB   LYS  56           HB2      LYS  56  -8.711  -9.407  -9.407
  500   2HB   LYS  56           HB1      LYS  56  -9.330 -10.041 -10.041
  501   1HG   LYS  56           HG2      LYS  56  -8.745 -12.363 -12.363
  502   2HG   LYS  56           HG1      LYS  56  -8.848 -11.455 -11.455
  503   1HD   LYS  56           HD2      LYS  56 -11.026 -11.547 -11.547
  504   2HD   LYS  56           HD1      LYS  56 -11.023 -12.522 -12.522
  505   1HE   LYS  56           HE2      LYS  56 -11.387 -10.684 -10.684
  506   2HE   LYS  56           HE1      LYS  56 -10.720  -9.544  -9.544
  507   1HZ   LYS  56           HZ2      LYS  56 -13.126 -11.052 -11.052
  508   2HZ   LYS  56           HZ1      LYS  56 -13.291  -9.767  -9.767
  509   3HZ   LYS  56           HZ3      LYS  56 -12.651  -9.482  -9.482
  510    HA   PRO  57            HA      PRO  57  -6.421  -9.391  -9.391
  511   1HB   PRO  57           HB2      PRO  57  -8.139 -10.629 -10.629
  512   2HB   PRO  57           HB1      PRO  57  -6.624 -11.344 -11.344
  513   1HG   PRO  57           HG2      PRO  57  -9.399 -11.943 -11.943
  514   2HG   PRO  57           HG1      PRO  57  -7.973 -12.960 -12.960
  515   1HD   PRO  57           HD2      PRO  57  -9.151 -11.603 -11.603
  516   2HD   PRO  57           HD1      PRO  57  -7.557 -12.388 -12.388
  517    H    HIS  58            HN      HIS  58  -8.084  -8.690  -8.690
  518    HA   HIS  58            HA      HIS  58  -9.719  -6.570  -6.570
  519   1HB   HIS  58           HB2      HIS  58  -9.984  -5.795  -5.795
  520   2HB   HIS  58           HB1      HIS  58  -8.305  -5.902  -5.902
  521    HD1  HIS  58           HD1      HIS  58 -10.810  -7.520  -7.520
  522    HD2  HIS  58           HD2      HIS  58  -6.799  -7.988  -7.988
  523    HE1  HIS  58           HE1      HIS  58  -9.805  -9.096  -9.096
  524    HA   PRO  59            HA      PRO  59 -13.233  -9.346  -9.346
  525   1HB   PRO  59           HB2      PRO  59 -15.064  -7.881  -7.881
  526   2HB   PRO  59           HB1      PRO  59 -13.898  -8.991  -8.991
  527   1HG   PRO  59           HG2      PRO  59 -13.876  -6.006  -6.006
  528   2HG   PRO  59           HG1      PRO  59 -13.150  -7.115  -7.115
  529   1HD   PRO  59           HD2      PRO  59 -11.772  -5.747  -5.747
  530   2HD   PRO  59           HD1      PRO  59 -11.132  -7.081  -7.081
  531    H    GLU  60            HN      GLU  60 -15.314  -9.146  -9.146
  532    HA   GLU  60            HA      GLU  60 -15.364  -6.783  -6.783
  533   1HB   GLU  60           HB2      GLU  60 -16.154  -9.639  -9.639
  534   2HB   GLU  60           HB1      GLU  60 -17.197  -8.481  -8.481
  535   1HG   GLU  60           HG2      GLU  60 -15.649  -8.744  -8.744
  536   2HG   GLU  60           HG1      GLU  60 -14.795  -7.509  -7.509
  537    H    PHE  61            HN      PHE  61 -16.578  -5.214  -5.214
  538    HA   PHE  61            HA      PHE  61 -18.472  -4.154  -4.154
  539   1HB   PHE  61           HB2      PHE  61 -19.575  -6.421  -6.421
  540   2HB   PHE  61           HB1      PHE  61 -20.671  -5.615  -5.615
  541    HD1  PHE  61           HD1      PHE  61 -20.693  -3.000  -3.000
  542    HD2  PHE  61           HD2      PHE  61 -19.180  -5.486  -5.486
  543    HE1  PHE  61           HE1      PHE  61 -20.949  -1.122  -1.122
  544    HE2  PHE  61           HE2      PHE  61 -19.437  -3.609  -3.609
  545    HZ   PHE  61            HZ      PHE  61 -20.321  -1.427  -1.427
  546    H    ILE  62            HN      ILE  62 -20.199  -4.434  -4.434
  547    HA   ILE  62            HA      ILE  62 -19.406  -6.611  -6.611
  548    HB   ILE  62            HB      ILE  62 -20.262  -5.066  -5.066
  549   1HG1  ILE  62          HG12      ILE  62 -20.313  -3.012  -3.012
  550   2HG1  ILE  62          HG11      ILE  62 -21.763  -3.797  -3.797
  551   1HG2  ILE  62          HG22      ILE  62 -17.829  -5.129  -5.129
  552   2HG2  ILE  62          HG21      ILE  62 -18.260  -3.460  -3.460
  553   3HG2  ILE  62          HG23      ILE  62 -18.227  -4.008  -4.008
  554   1HD1  ILE  62          HD11      ILE  62 -20.701  -3.009  -3.009
  555   2HD1  ILE  62          HD13      ILE  62 -19.994  -1.773  -1.773
  556   3HD1  ILE  62          HD12      ILE  62 -21.746  -1.954  -1.954
  557    H    VAL  63            HN      VAL  63 -22.082  -5.011  -5.011
  558    HA   VAL  63            HA      VAL  63 -24.249  -6.058  -6.058
  559    HB   VAL  63            HB      VAL  63 -24.201  -5.574  -5.574
  560   1HG1  VAL  63          HG12      VAL  63 -26.179  -6.714  -6.714
  561   2HG1  VAL  63          HG11      VAL  63 -26.555  -5.023  -5.023
  562   3HG1  VAL  63          HG13      VAL  63 -26.500  -5.607  -5.607
  563   1HG2  VAL  63          HG21      VAL  63 -24.183  -3.738  -3.738
  564   2HG2  VAL  63          HG23      VAL  63 -23.546  -3.488  -3.488
  565   3HG2  VAL  63          HG22      VAL  63 -25.275  -3.326  -3.326
  566    H    THR  64            HN      THR  64 -24.464  -8.199  -8.199
  567    HA   THR  64            HA      THR  64 -23.651 -10.215 -10.215
  568    HB   THR  64            HB      THR  64 -24.391 -11.761 -11.761
  569    HG1  THR  64           HG1      THR  64 -24.990 -10.680 -10.680
  570   1HG2  THR  64          HG23      THR  64 -21.948 -10.124 -10.124
  571   2HG2  THR  64          HG22      THR  64 -22.083 -10.948 -10.948
  572   3HG2  THR  64          HG21      THR  64 -22.133 -11.878 -11.878
  573    H    ASP  65            HN      ASP  65 -26.514  -8.905  -8.905
  574    HA   ASP  65            HA      ASP  65 -28.367 -10.950 -10.950
  575   1HB   ASP  65           HB2      ASP  65 -28.795  -9.095  -9.095
  576   2HB   ASP  65           HB1      ASP  65 -28.973  -7.997  -7.997
  577   1H    SER   1           HT2      SER   1   1.153 -14.701 -14.701
  578   2H    SER   1           HT1      SER   1   2.207 -14.301 -14.301
  579   3H    SER   1           HT3      SER   1   2.822 -14.581 -14.581
  580    HA   SER   1            HA      SER   1   2.791 -16.799 -16.799
  581   1HB   SER   1           HB2      SER   1   3.120 -15.549 -15.549
  582   2HB   SER   1           HB1      SER   1   2.579 -17.221 -17.221
  583    HG   SER   1            HG      SER   1   4.947 -16.152 -16.152
  584    HA   PRO   2            HA      PRO   2  -1.270 -18.093 -18.093
  585   1HB   PRO   2           HB2      PRO   2  -2.856 -16.181 -16.181
  586   2HB   PRO   2           HB1      PRO   2  -1.592 -17.078 -17.078
  587   1HG   PRO   2           HG2      PRO   2  -1.572 -14.243 -14.243
  588   2HG   PRO   2           HG1      PRO   2  -0.663 -14.994 -14.994
  589   1HD   PRO   2           HD2      PRO   2   0.348 -14.360 -14.360
  590   2HD   PRO   2           HD1      PRO   2   1.154 -15.356 -15.356
  591    H    LEU   3            HN      LEU   3  -2.651 -14.836 -14.836
  592    HA   LEU   3            HA      LEU   3  -3.283 -15.202 -15.202
  593   1HB   LEU   3           HB2      LEU   3  -4.905 -16.712 -16.712
  594   2HB   LEU   3           HB1      LEU   3  -5.861 -15.252 -15.252
  595    HG   LEU   3            HG      LEU   3  -4.581 -16.843 -16.843
  596   1HD1  LEU   3          HD11      LEU   3  -7.382 -16.919 -16.919
  597   2HD1  LEU   3          HD13      LEU   3  -6.976 -17.548 -17.548
  598   3HD1  LEU   3          HD12      LEU   3  -6.250 -18.262 -18.262
  599   1HD2  LEU   3          HD22      LEU   3  -6.663 -14.635 -14.635
  600   2HD2  LEU   3          HD21      LEU   3  -5.012 -14.492 -14.492
  601   3HD2  LEU   3          HD23      LEU   3  -6.172 -15.511 -15.511
  602    H    LEU   4            HN      LEU   4  -3.605 -13.207 -13.207
  603    HA   LEU   4            HA      LEU   4  -3.865 -10.888 -10.888
  604   1HB   LEU   4           HB2      LEU   4  -6.197 -12.054 -12.054
  605   2HB   LEU   4           HB1      LEU   4  -5.919 -10.414 -10.414
  606    HG   LEU   4            HG      LEU   4  -5.768  -9.649  -9.649
  607   1HD1  LEU   4          HD13      LEU   4  -6.400 -12.559 -12.559
  608   2HD1  LEU   4          HD12      LEU   4  -6.771 -11.319 -11.319
  609   3HD1  LEU   4          HD11      LEU   4  -5.101 -11.592 -11.592
  610   1HD2  LEU   4          HD22      LEU   4  -7.911  -9.556  -9.556
  611   2HD2  LEU   4          HD21      LEU   4  -8.174  -9.778  -9.778
  612   3HD2  LEU   4          HD23      LEU   4  -8.325 -11.150 -11.150
  613    HA   PRO   5            HA      PRO   5  -1.894 -10.217 -10.217
  614   1HB   PRO   5           HB2      PRO   5   0.770 -10.592 -10.592
  615   2HB   PRO   5           HB1      PRO   5  -0.276 -11.893 -11.893
  616   1HG   PRO   5           HG2      PRO   5   0.786 -11.417 -11.417
  617   2HG   PRO   5           HG1      PRO   5   0.297 -12.934 -12.934
  618   1HD   PRO   5           HD2      PRO   5  -1.233 -11.439 -11.439
  619   2HD   PRO   5           HD1      PRO   5  -1.788 -12.794 -12.794
  620    H    LYS   6            HN      LYS   6   0.657  -8.796  -8.796
  621    HA   LYS   6            HA      LYS   6  -0.216  -6.342  -6.342
  622   1HB   LYS   6           HB2      LYS   6   1.419  -6.957  -6.957
  623   2HB   LYS   6           HB1      LYS   6   2.471  -6.175  -6.175
  624   1HG   LYS   6           HG2      LYS   6   0.268  -4.577  -4.577
  625   2HG   LYS   6           HG1      LYS   6   0.188  -5.062  -5.062
  626   1HD   LYS   6           HD2      LYS   6   2.827  -4.180  -4.180
  627   2HD   LYS   6           HD1      LYS   6   1.623  -2.955  -2.955
  628   1HE   LYS   6           HE2      LYS   6   2.440  -3.088  -3.088
  629   2HE   LYS   6           HE1      LYS   6   1.538  -4.599  -4.599
  630   1HZ   LYS   6           HZ3      LYS   6   3.612  -5.625  -5.625
  631   2HZ   LYS   6           HZ2      LYS   6   4.402  -4.193  -4.193
  632   3HZ   LYS   6           HZ1      LYS   6   3.688  -5.190  -5.190
  633    H    LEU   7            HN      LEU   7   0.932  -8.981  -8.981
  634    HA   LEU   7            HA      LEU   7   2.169  -9.503  -9.503
  635   1HB   LEU   7           HB2      LEU   7   1.797  -6.537  -6.537
  636   2HB   LEU   7           HB1      LEU   7   2.644  -7.531  -7.531
  637    HG   LEU   7            HG      LEU   7  -0.190  -8.014  -8.014
  638   1HD1  LEU   7          HD13      LEU   7   0.970  -6.620  -6.620
  639   2HD1  LEU   7          HD12      LEU   7  -0.485  -7.585  -7.585
  640   3HD1  LEU   7          HD11      LEU   7  -0.494  -6.254  -6.254
  641   1HD2  LEU   7          HD22      LEU   7   1.593  -9.473  -9.473
  642   2HD2  LEU   7          HD21      LEU   7   0.748 -10.144 -10.144
  643   3HD2  LEU   7          HD23      LEU   7  -0.163  -9.636  -9.636
  644    HA   PRO   8            HA      PRO   8   6.122  -8.285  -8.285
  645   1HB   PRO   8           HB2      PRO   8   6.666 -10.711 -10.711
  646   2HB   PRO   8           HB1      PRO   8   5.723  -9.448  -9.448
  647   1HG   PRO   8           HG2      PRO   8   4.774 -12.009 -12.009
  648   2HG   PRO   8           HG1      PRO   8   4.027 -11.022 -11.022
  649   1HD   PRO   8           HD2      PRO   8   3.274 -11.104 -11.104
  650   2HD   PRO   8           HD1      PRO   8   2.673  -9.986  -9.986
  651    HA   PRO   9            HA      PRO   9   8.319 -10.428 -10.428
  652   1HB   PRO   9           HB2      PRO   9  10.911 -10.134 -10.134
  653   2HB   PRO   9           HB1      PRO   9   9.971  -8.818  -8.818
  654   1HG   PRO   9           HG2      PRO   9  10.706  -9.237  -9.237
  655   2HG   PRO   9           HG1      PRO   9  10.336  -7.729  -7.729
  656   1HD   PRO   9           HD2      PRO   9   8.573  -9.150  -9.150
  657   2HD   PRO   9           HD1      PRO   9   8.129  -7.820  -7.820
  658    H    LYS  10            HN      LYS  10   8.160 -12.671 -12.671
  659    HA   LYS  10            HA      LYS  10   8.536 -14.428 -14.428
  660   1HB   LYS  10           HB2      LYS  10   7.508 -14.794 -14.794
  661   2HB   LYS  10           HB1      LYS  10   9.123 -15.427 -15.427
  662   1HG   LYS  10           HG2      LYS  10   8.930 -17.056 -17.056
  663   2HG   LYS  10           HG1      LYS  10   7.447 -16.315 -16.315
  664   1HD   LYS  10           HD2      LYS  10   6.215 -16.984 -16.984
  665   2HD   LYS  10           HD1      LYS  10   7.689 -17.473 -17.473
  666   1HE   LYS  10           HE2      LYS  10   6.547 -19.457 -19.457
  667   2HE   LYS  10           HE1      LYS  10   8.060 -19.223 -19.223
  668   1HZ   LYS  10           HZ3      LYS  10   6.823 -18.132 -18.132
  669   2HZ   LYS  10           HZ2      LYS  10   5.367 -18.373 -18.373
  670   3HZ   LYS  10           HZ1      LYS  10   6.244 -19.705 -19.705
  671    H    THR  11            HN      THR  11  10.277 -16.134 -16.134
  672    HA   THR  11            HA      THR  11  12.897 -15.438 -15.438
  673    HB   THR  11            HB      THR  11  12.883 -15.664 -15.664
  674    HG1  THR  11           HG1      THR  11  11.732 -13.942 -13.942
  675   1HG2  THR  11          HG21      THR  11  14.458 -14.105 -14.105
  676   2HG2  THR  11          HG23      THR  11  14.725 -13.982 -13.982
  677   3HG2  THR  11          HG22      THR  11  15.002 -15.514 -15.514
  678    H    TYR  12            HN      TYR  12  11.732 -17.295 -17.295
  679    HA   TYR  12            HA      TYR  12  12.597 -19.796 -19.796
  680   1HB   TYR  12           HB2      TYR  12  13.461 -20.447 -20.447
  681   2HB   TYR  12           HB1      TYR  12  14.516 -19.656 -19.656
  682    HD1  TYR  12           HD1      TYR  12  11.989 -18.774 -18.774
  683    HD2  TYR  12           HD2      TYR  12  15.661 -17.741 -17.741
  684    HE1  TYR  12           HE1      TYR  12  12.291 -16.868 -16.868
  685    HE2  TYR  12           HE2      TYR  12  15.965 -15.837 -15.837
  686    HH   TYR  12            HH      TYR  12  15.249 -15.110 -15.110
  687    H    LYS  13            HN      LYS  13  12.015 -21.706 -21.706
  688    HA   LYS  13            HA      LYS  13   9.155 -21.205 -21.205
  689   1HB   LYS  13           HB2      LYS  13  10.490 -23.880 -23.880
  690   2HB   LYS  13           HB1      LYS  13   8.761 -23.559 -23.559
  691   1HG   LYS  13           HG2      LYS  13   9.892 -21.839 -21.839
  692   2HG   LYS  13           HG1      LYS  13  10.359 -23.507 -23.507
  693   1HD   LYS  13           HD2      LYS  13   7.792 -23.958 -23.958
  694   2HD   LYS  13           HD1      LYS  13   7.635 -22.277 -22.277
  695   1HE   LYS  13           HE2      LYS  13   8.208 -22.740 -22.740
  696   2HE   LYS  13           HE1      LYS  13   9.289 -24.057 -24.057
  697   1HZ   LYS  13           HZ1      LYS  13   7.300 -25.371 -25.371
  698   2HZ   LYS  13           HZ3      LYS  13   6.322 -24.123 -24.123
  699   3HZ   LYS  13           HZ2      LYS  13   7.368 -24.959 -24.959
  700    H    ARG  14            HN      ARG  14   8.742 -23.436 -23.436
  701    HA   ARG  14            HA      ARG  14  10.211 -22.612 -22.612
  702   1HB   ARG  14           HB2      ARG  14   7.867 -24.514 -24.514
  703   2HB   ARG  14           HB1      ARG  14   8.493 -23.862 -23.862
  704   1HG   ARG  14           HG2      ARG  14   7.538 -21.807 -21.807
  705   2HG   ARG  14           HG1      ARG  14   7.776 -21.863 -21.863
  706   1HD   ARG  14           HD2      ARG  14   5.964 -23.707 -23.707
  707   2HD   ARG  14           HD1      ARG  14   5.584 -23.140 -23.140
  708    HE   ARG  14            HE      ARG  14   5.127 -20.895 -20.895
  709   1HH1  ARG  14          HH21      ARG  14   6.381 -21.921 -21.921
  710   2HH1  ARG  14          HH22      ARG  14   4.949 -22.053 -22.053
  711   1HH2  ARG  14          HH11      ARG  14   2.787 -21.842 -21.842
  712   2HH2  ARG  14          HH12      ARG  14   2.914 -22.010 -22.010
  713    H    GLU  15            HN      GLU  15   9.436 -25.596 -25.596
  714    HA   GLU  15            HA      GLU  15  10.542 -27.665 -27.665
  715   1HB   GLU  15           HB2      GLU  15  12.892 -26.060 -26.060
  716   2HB   GLU  15           HB1      GLU  15  12.975 -27.637 -27.637
  717   1HG   GLU  15           HG2      GLU  15  12.595 -26.773 -26.773
  718   2HG   GLU  15           HG1      GLU  15  11.572 -25.472 -25.472

  Start of MODEL    2
    1   1H    GLY  -8           HT1      GLY  -8   7.276   4.356   4.356
    2   2H    GLY  -8           HT3      GLY  -8   7.920   5.916   5.916
    3   3H    GLY  -8           HT2      GLY  -8   8.947   4.564   4.564
    4   1HA   GLY  -8           HA1      GLY  -8   8.232   4.278   4.278
    5   2HA   GLY  -8           HA2      GLY  -8   9.368   5.595   5.595
    6    H    SER  -7            HN      SER  -7   5.962   5.704   5.704
    7    HA   SER  -7            HA      SER  -7   5.079   6.173   6.173
    8   1HB   SER  -7           HB2      SER  -7   3.576   7.226   7.226
    9   2HB   SER  -7           HB1      SER  -7   3.696   7.891   7.891
   10    HG   SER  -7            HG      SER  -7   5.140   9.128   9.128
   11    H    ARG  -6            HN      ARG  -6   3.883   5.024   5.024
   12    HA   ARG  -6            HA      ARG  -6   2.291   3.380   3.380
   13   1HB   ARG  -6           HB2      ARG  -6   3.823   2.379   2.379
   14   2HB   ARG  -6           HB1      ARG  -6   2.139   1.967   1.967
   15   1HG   ARG  -6           HG2      ARG  -6   3.287   1.503   1.503
   16   2HG   ARG  -6           HG1      ARG  -6   3.597   0.341   0.341
   17   1HD   ARG  -6           HD2      ARG  -6   0.940   0.657   0.657
   18   2HD   ARG  -6           HD1      ARG  -6   1.051   0.987   0.987
   19    HE   ARG  -6            HE      ARG  -6   2.200  -1.518  -1.518
   20   1HH1  ARG  -6          HH11      ARG  -6   2.726  -2.143  -2.143
   21   2HH1  ARG  -6          HH12      ARG  -6   1.260  -2.492  -2.492
   22   1HH2  ARG  -6          HH21      ARG  -6  -0.783  -0.948  -0.948
   23   2HH2  ARG  -6          HH22      ARG  -6  -0.726  -1.816  -1.816
   24    H    ARG  -5            HN      ARG  -5   0.469   4.733   4.733
   25    HA   ARG  -5            HA      ARG  -5  -0.969   5.536   5.536
   26   1HB   ARG  -5           HB2      ARG  -5  -1.783   5.686   5.686
   27   2HB   ARG  -5           HB1      ARG  -5  -2.602   6.493   6.493
   28   1HG   ARG  -5           HG2      ARG  -5  -0.995   8.105   8.105
   29   2HG   ARG  -5           HG1      ARG  -5   0.316   6.984   6.984
   30   1HD   ARG  -5           HD2      ARG  -5  -1.625   7.758   7.758
   31   2HD   ARG  -5           HD1      ARG  -5  -0.308   8.852   8.852
   32    HE   ARG  -5            HE      ARG  -5   1.224   6.848   6.848
   33   1HH1  ARG  -5          HH11      ARG  -5   0.421   4.597   4.597
   34   2HH1  ARG  -5          HH12      ARG  -5  -0.266   4.766   4.766
   35   1HH2  ARG  -5          HH21      ARG  -5  -0.676   8.199   8.199
   36   2HH2  ARG  -5          HH22      ARG  -5  -0.887   6.805   6.805
   37    H    ALA  -4            HN      ALA  -4  -1.958   3.906   3.906
   38    HA   ALA  -4            HA      ALA  -4  -4.113   2.422   2.422
   39   1HB   ALA  -4           HB1      ALA  -4  -1.589   1.083   1.083
   40   2HB   ALA  -4           HB3      ALA  -4  -3.124   0.218   0.218
   41   3HB   ALA  -4           HB2      ALA  -4  -2.471   0.823   0.823
   42    H    SER  -3            HN      SER  -3  -3.880   4.377   4.377
   43    HA   SER  -3            HA      SER  -3  -4.758   4.748   4.748
   44   1HB   SER  -3           HB2      SER  -3  -6.118   2.297   2.297
   45   2HB   SER  -3           HB1      SER  -3  -6.169   2.559   2.559
   46    HG   SER  -3            HG      SER  -3  -7.811   3.596   3.596
   47    H    VAL  -2            HN      VAL  -2  -4.745   3.753   3.753
   48    HA   VAL  -2            HA      VAL  -2  -2.074   2.793   2.793
   49    HB   VAL  -2            HB      VAL  -2  -4.482   2.857   2.857
   50   1HG1  VAL  -2          HG11      VAL  -2  -1.492   2.693   2.693
   51   2HG1  VAL  -2          HG13      VAL  -2  -2.620   3.155   3.155
   52   3HG1  VAL  -2          HG12      VAL  -2  -2.728   1.556   1.556
   53   1HG2  VAL  -2          HG21      VAL  -2  -3.777   5.040   5.040
   54   2HG2  VAL  -2          HG23      VAL  -2  -3.924   5.090   5.090
   55   3HG2  VAL  -2          HG22      VAL  -2  -2.332   4.965   4.965
   56    H    GLY  -1            HN      GLY  -1  -1.512   0.730   0.730
   57   1HA   GLY  -1           HA2      GLY  -1  -3.471  -1.450  -1.450
   58   2HA   GLY  -1           HA1      GLY  -1  -1.741  -1.620  -1.620
   59    H    SER   0            HN      SER   0  -3.940  -0.791  -0.791
   60    HA   SER   0            HA      SER   0  -2.015  -2.087  -2.087
   61   1HB   SER   0           HB2      SER   0  -3.892  -1.055  -1.055
   62   2HB   SER   0           HB1      SER   0  -2.534  -0.102  -0.102
   63    HG   SER   0            HG      SER   0  -5.198  -0.215  -0.215
   64    H    MET   1            HN      MET   1  -3.047  -3.400  -3.400
   65    HA   MET   1            HA      MET   1  -5.311  -5.024  -5.024
   66   1HB   MET   1           HB2      MET   1  -2.789  -5.769  -5.769
   67   2HB   MET   1           HB1      MET   1  -4.233  -6.724  -6.724
   68   1HG   MET   1           HG2      MET   1  -4.419  -7.488  -7.488
   69   2HG   MET   1           HG1      MET   1  -3.567  -6.101  -6.101
   70   1HE   MET   1           HE2      MET   1  -2.679  -7.496  -7.496
   71   2HE   MET   1           HE1      MET   1  -0.976  -7.118  -7.118
   72   3HE   MET   1           HE3      MET   1  -1.516  -8.803  -8.803
   73    H    GLU   2            HN      GLU   2  -6.091  -6.398  -6.398
   74    HA   GLU   2            HA      GLU   2  -6.706  -4.255  -4.255
   75   1HB   GLU   2           HB2      GLU   2  -8.464  -5.679  -5.679
   76   2HB   GLU   2           HB1      GLU   2  -8.680  -6.361  -6.361
   77   1HG   GLU   2           HG2      GLU   2  -9.392  -4.333  -4.333
   78   2HG   GLU   2           HG1      GLU   2  -8.597  -3.381  -3.381
   79    H    ALA   3            HN      ALA   3  -7.524  -5.448  -5.448
   80    HA   ALA   3            HA      ALA   3  -6.324  -8.063  -8.063
   81   1HB   ALA   3           HB3      ALA   3  -5.140  -5.524  -5.524
   82   2HB   ALA   3           HB2      ALA   3  -5.135  -6.917  -6.917
   83   3HB   ALA   3           HB1      ALA   3  -4.358  -7.027  -7.027
   84    H    ILE   4            HN      ILE   4  -7.771  -9.063  -9.063
   85    HA   ILE   4            HA      ILE   4  -9.973  -7.839  -7.839
   86    HB   ILE   4            HB      ILE   4 -10.102 -10.052 -10.052
   87   1HG1  ILE   4          HG12      ILE   4 -10.362 -10.793 -10.793
   88   2HG1  ILE   4          HG11      ILE   4 -11.112  -9.245  -9.245
   89   1HG2  ILE   4          HG21      ILE   4  -7.614 -10.465 -10.465
   90   2HG2  ILE   4          HG23      ILE   4  -8.539 -11.277 -11.277
   91   3HG2  ILE   4          HG22      ILE   4  -8.713 -11.776 -11.776
   92   1HD1  ILE   4          HD13      ILE   4 -11.541 -11.743 -11.743
   93   2HD1  ILE   4          HD12      ILE   4 -12.592 -11.247 -11.247
   94   3HD1  ILE   4          HD11      ILE   4 -12.426 -10.225 -10.225
   95    H    ALA   5            HN      ALA   5 -10.057  -6.854  -6.854
   96    HA   ALA   5            HA      ALA   5  -7.928  -7.082  -7.082
   97   1HB   ALA   5           HB3      ALA   5 -10.665  -5.747  -5.747
   98   2HB   ALA   5           HB2      ALA   5  -9.671  -5.810  -5.810
   99   3HB   ALA   5           HB1      ALA   5  -9.079  -4.969  -4.969
  100    H    LYS   6            HN      LYS   6  -7.874  -9.052  -9.052
  101    HA   LYS   6            HA      LYS   6 -10.072 -10.871 -10.871
  102   1HB   LYS   6           HB2      LYS   6  -7.584 -10.765 -10.765
  103   2HB   LYS   6           HB1      LYS   6  -8.664 -12.152 -12.152
  104   1HG   LYS   6           HG2      LYS   6  -8.056 -12.523 -12.523
  105   2HG   LYS   6           HG1      LYS   6  -7.490 -10.868 -10.868
  106   1HD   LYS   6           HD2      LYS   6  -5.572 -12.347 -12.347
  107   2HD   LYS   6           HD1      LYS   6  -5.614 -11.341 -11.341
  108   1HE   LYS   6           HE2      LYS   6  -6.553 -13.143 -13.143
  109   2HE   LYS   6           HE1      LYS   6  -6.788 -14.134 -14.134
  110   1HZ   LYS   6           HZ1      LYS   6  -4.155 -13.212 -13.212
  111   2HZ   LYS   6           HZ3      LYS   6  -4.799 -14.761 -14.761
  112   3HZ   LYS   6           HZ2      LYS   6  -4.418 -14.239 -14.239
  113    H    TYR   7            HN      TYR   7  -9.044  -8.309  -8.309
  114    HA   TYR   7            HA      TYR   7 -11.501  -8.779  -8.779
  115   1HB   TYR   7           HB2      TYR   7  -8.923  -8.288  -8.288
  116   2HB   TYR   7           HB1      TYR   7 -10.403  -8.993  -8.993
  117    HD1  TYR   7           HD1      TYR   7 -11.085 -11.296 -11.296
  118    HD2  TYR   7           HD2      TYR   7  -7.149  -9.634  -9.634
  119    HE1  TYR   7           HE1      TYR   7 -10.163 -13.566 -13.566
  120    HE2  TYR   7           HE2      TYR   7  -6.218 -11.886 -11.886
  121    HH   TYR   7            HH      TYR   7  -7.775 -14.345 -14.345
  122    H    ASP   8            HN      ASP   8 -11.396  -7.008  -7.008
  123    HA   ASP   8            HA      ASP   8 -11.347  -4.488  -4.488
  124   1HB   ASP   8           HB2      ASP   8 -12.442  -3.569  -3.569
  125   2HB   ASP   8           HB1      ASP   8 -13.159  -5.148  -5.148
  126    H    PHE   9            HN      PHE   9 -10.178  -2.585  -2.585
  127    HA   PHE   9            HA      PHE   9  -8.093  -2.739  -2.739
  128   1HB   PHE   9           HB2      PHE   9  -7.059  -4.333  -4.333
  129   2HB   PHE   9           HB1      PHE   9  -7.395  -3.319  -3.319
  130    HD1  PHE   9           HD2      PHE   9  -5.257  -3.799  -3.799
  131    HD2  PHE   9           HD1      PHE   9  -6.085  -1.400  -1.400
  132    HE1  PHE   9           HE2      PHE   9  -3.022  -2.741  -2.741
  133    HE2  PHE   9           HE1      PHE   9  -3.839  -0.334  -0.334
  134    HZ   PHE   9            HZ      PHE   9  -2.314  -1.011  -1.011
  135    H    LYS  10            HN      LYS  10  -6.612  -0.712  -0.712
  136    HA   LYS  10            HA      LYS  10  -7.772   1.343   1.343
  137   1HB   LYS  10           HB2      LYS  10  -8.285   2.908   2.908
  138   2HB   LYS  10           HB1      LYS  10  -8.892   1.386   1.386
  139   1HG   LYS  10           HG2      LYS  10  -6.738   1.127   1.127
  140   2HG   LYS  10           HG1      LYS  10  -6.274   2.738   2.738
  141   1HD   LYS  10           HD2      LYS  10  -7.248   3.009   3.009
  142   2HD   LYS  10           HD1      LYS  10  -8.433   3.598   3.598
  143   1HE   LYS  10           HE2      LYS  10  -8.716   0.727   0.727
  144   2HE   LYS  10           HE1      LYS  10  -8.907   1.693   1.693
  145   1HZ   LYS  10           HZ1      LYS  10 -10.505   3.085   3.085
  146   2HZ   LYS  10           HZ3      LYS  10 -10.369   2.060   2.060
  147   3HZ   LYS  10           HZ2      LYS  10 -11.012   1.466   1.466
  148    H    ALA  11            HN      ALA  11  -6.459   3.305   3.305
  149    HA   ALA  11            HA      ALA  11  -3.766   2.636   2.636
  150   1HB   ALA  11           HB1      ALA  11  -5.205   4.589   4.589
  151   2HB   ALA  11           HB3      ALA  11  -4.629   5.462   5.462
  152   3HB   ALA  11           HB2      ALA  11  -3.471   4.848   4.848
  153    H    THR  12            HN      THR  12  -1.957   2.708   2.708
  154    HA   THR  12            HA      THR  12  -2.404   3.774   3.774
  155    HB   THR  12            HB      THR  12  -0.766   2.200   2.200
  156    HG1  THR  12           HG1      THR  12   0.448   0.973   0.973
  157   1HG2  THR  12          HG22      THR  12  -3.121   1.387   1.387
  158   2HG2  THR  12          HG21      THR  12  -2.374   0.645   0.645
  159   3HG2  THR  12          HG23      THR  12  -1.884   0.146   0.146
  160    H    ALA  13            HN      ALA  13   0.132   3.393   3.393
  161    HA   ALA  13            HA      ALA  13   1.843   5.427   5.427
  162   1HB   ALA  13           HB1      ALA  13   1.890   3.854   3.854
  163   2HB   ALA  13           HB3      ALA  13   2.908   5.291   5.291
  164   3HB   ALA  13           HB2      ALA  13   3.105   3.940   3.940
  165    H    ASP  14            HN      ASP  14   2.482   7.333   7.333
  166    HA   ASP  14            HA      ASP  14   0.261   9.023   9.023
  167   1HB   ASP  14           HB2      ASP  14   2.745   9.432   9.432
  168   2HB   ASP  14           HB1      ASP  14   2.972   9.594   9.594
  169    H    ASP  15            HN      ASP  15   1.912   6.809   6.809
  170    HA   ASP  15            HA      ASP  15   0.519   7.903   7.903
  171   1HB   ASP  15           HB2      ASP  15   3.287   6.797   6.797
  172   2HB   ASP  15           HB1      ASP  15   2.431   6.713   6.713
  173    H    GLU  16            HN      GLU  16  -0.533   5.976   5.976
  174    HA   GLU  16            HA      GLU  16  -0.326   3.419   3.419
  175   1HB   GLU  16           HB2      GLU  16  -0.091   3.651   3.651
  176   2HB   GLU  16           HB1      GLU  16  -1.837   3.859   3.859
  177   1HG   GLU  16           HG2      GLU  16  -2.224   1.675   1.675
  178   2HG   GLU  16           HG1      GLU  16  -0.918   1.595   1.595
  179    H    LEU  17            HN      LEU  17  -2.557   2.225   2.225
  180    HA   LEU  17            HA      LEU  17  -4.637   4.158   4.158
  181   1HB   LEU  17           HB2      LEU  17  -3.525   3.096   3.096
  182   2HB   LEU  17           HB1      LEU  17  -3.889   1.510   1.510
  183    HG   LEU  17            HG      LEU  17  -6.316   2.038   2.038
  184   1HD1  LEU  17          HD11      LEU  17  -5.216   4.667   4.667
  185   2HD1  LEU  17          HD13      LEU  17  -6.455   4.115   4.115
  186   3HD1  LEU  17          HD12      LEU  17  -6.818   4.244   4.244
  187   1HD2  LEU  17          HD21      LEU  17  -4.963   0.901   0.901
  188   2HD2  LEU  17          HD23      LEU  17  -6.483   1.648   1.648
  189   3HD2  LEU  17          HD22      LEU  17  -4.955   2.467   2.467
  190    H    SER  18            HN      SER  18  -6.782   3.657   3.657
  191    HA   SER  18            HA      SER  18  -7.187   1.561   1.561
  192   1HB   SER  18           HB2      SER  18  -9.171   3.566   3.566
  193   2HB   SER  18           HB1      SER  18  -8.913   2.830   2.830
  194    HG   SER  18            HG      SER  18  -7.474   4.876   4.876
  195    H    PHE  19            HN      PHE  19  -9.104   0.206   0.206
  196    HA   PHE  19            HA      PHE  19 -10.845   0.177   0.177
  197   1HB   PHE  19           HB2      PHE  19 -10.026  -1.826  -1.826
  198   2HB   PHE  19           HB1      PHE  19  -8.800  -0.563  -0.563
  199    HD1  PHE  19           HD1      PHE  19  -9.853  -3.668  -3.668
  200    HD2  PHE  19           HD2      PHE  19  -6.653  -0.927  -0.927
  201    HE1  PHE  19           HE1      PHE  19  -8.232  -5.230  -5.230
  202    HE2  PHE  19           HE2      PHE  19  -5.037  -2.485  -2.485
  203    HZ   PHE  19            HZ      PHE  19  -5.827  -4.634  -4.634
  204    H    LYS  20            HN      LYS  20 -12.257  -1.824  -1.824
  205    HA   LYS  20            HA      LYS  20 -12.331  -2.939  -2.939
  206   1HB   LYS  20           HB2      LYS  20 -14.616  -2.523  -2.523
  207   2HB   LYS  20           HB1      LYS  20 -14.750  -3.116  -3.116
  208   1HG   LYS  20           HG2      LYS  20 -13.470  -0.471  -0.471
  209   2HG   LYS  20           HG1      LYS  20 -15.207  -0.623  -0.623
  210   1HD   LYS  20           HD2      LYS  20 -14.965  -1.176  -1.176
  211   2HD   LYS  20           HD1      LYS  20 -13.346  -1.837  -1.837
  212   1HE   LYS  20           HE2      LYS  20 -12.340   0.269   0.269
  213   2HE   LYS  20           HE1      LYS  20 -13.827   1.091   1.091
  214   1HZ   LYS  20           HZ3      LYS  20 -14.689   0.256   0.256
  215   2HZ   LYS  20           HZ2      LYS  20 -13.051   0.028   0.028
  216   3HZ   LYS  20           HZ1      LYS  20 -13.625   1.576   1.576
  217    H    ARG  21            HN      ARG  21 -13.884  -4.983  -4.983
  218    HA   ARG  21            HA      ARG  21 -12.435  -7.018  -7.018
  219   1HB   ARG  21           HB2      ARG  21 -13.576  -7.259  -7.259
  220   2HB   ARG  21           HB1      ARG  21 -15.119  -7.206  -7.206
  221   1HG   ARG  21           HG2      ARG  21 -14.651  -9.221  -9.221
  222   2HG   ARG  21           HG1      ARG  21 -12.948  -9.186  -9.186
  223   1HD   ARG  21           HD2      ARG  21 -13.919  -9.167  -9.167
  224   2HD   ARG  21           HD1      ARG  21 -15.356  -9.834  -9.834
  225    HE   ARG  21            HE      ARG  21 -13.110 -11.332 -11.332
  226   1HH1  ARG  21          HH21      ARG  21 -12.523 -10.910 -10.910
  227   2HH1  ARG  21          HH22      ARG  21 -13.254 -12.327 -12.327
  228   1HH2  ARG  21          HH11      ARG  21 -15.098 -13.066 -13.066
  229   2HH2  ARG  21          HH12      ARG  21 -14.711 -13.545 -13.545
  230    H    GLY  22            HN      GLY  22 -12.686  -7.211  -7.211
  231   1HA   GLY  22           HA2      GLY  22 -14.073  -8.066  -8.066
  232   2HA   GLY  22           HA1      GLY  22 -15.468  -7.298  -7.298
  233    H    ASP  23            HN      ASP  23 -13.073  -5.043  -5.043
  234    HA   ASP  23            HA      ASP  23 -14.035  -3.550  -3.550
  235   1HB   ASP  23           HB2      ASP  23 -12.652  -3.061  -3.061
  236   2HB   ASP  23           HB1      ASP  23 -12.170  -2.028  -2.028
  237    H    ILE  24            HN      ILE  24 -13.032  -4.803  -4.803
  238    HA   ILE  24            HA      ILE  24 -10.222  -5.369  -5.369
  239    HB   ILE  24            HB      ILE  24 -11.814  -5.086  -5.086
  240   1HG1  ILE  24          HG12      ILE  24 -12.019  -7.187  -7.187
  241   2HG1  ILE  24          HG11      ILE  24 -13.328  -6.378  -6.378
  242   1HG2  ILE  24          HG23      ILE  24  -9.235  -5.673  -5.673
  243   2HG2  ILE  24          HG22      ILE  24  -9.891  -7.277  -7.277
  244   3HG2  ILE  24          HG21      ILE  24 -10.163  -6.474  -6.474
  245   1HD1  ILE  24          HD13      ILE  24 -12.154  -7.601  -7.601
  246   2HD1  ILE  24          HD12      ILE  24 -11.699  -8.725  -8.725
  247   3HD1  ILE  24          HD11      ILE  24 -13.402  -8.380  -8.380
  248    H    LEU  25            HN      LEU  25  -8.591  -4.072  -4.072
  249    HA   LEU  25            HA      LEU  25  -9.080  -1.262  -1.262
  250   1HB   LEU  25           HB2      LEU  25  -6.525  -2.645  -2.645
  251   2HB   LEU  25           HB1      LEU  25  -6.812  -0.904  -0.904
  252    HG   LEU  25            HG      LEU  25  -8.919  -1.643  -1.643
  253   1HD1  LEU  25          HD13      LEU  25  -6.898  -3.832  -3.832
  254   2HD1  LEU  25          HD12      LEU  25  -7.691  -3.295  -3.295
  255   3HD1  LEU  25          HD11      LEU  25  -8.656  -3.913  -3.913
  256   1HD2  LEU  25          HD23      LEU  25  -6.105  -0.887  -0.887
  257   2HD2  LEU  25          HD22      LEU  25  -7.597   0.021   0.021
  258   3HD2  LEU  25          HD21      LEU  25  -7.185  -1.312  -1.312
  259    H    LYS  26            HN      LYS  26  -7.299  -0.171  -0.171
  260    HA   LYS  26            HA      LYS  26  -6.966  -1.891  -1.891
  261   1HB   LYS  26           HB2      LYS  26  -8.363   0.222   0.222
  262   2HB   LYS  26           HB1      LYS  26  -6.885   1.134   1.134
  263   1HG   LYS  26           HG2      LYS  26  -6.567  -0.876  -0.876
  264   2HG   LYS  26           HG1      LYS  26  -7.793   0.335   0.335
  265   1HD   LYS  26           HD2      LYS  26  -5.114   1.178   1.178
  266   2HD   LYS  26           HD1      LYS  26  -5.314   0.836   0.836
  267   1HE   LYS  26           HE2      LYS  26  -7.162   2.710   2.710
  268   2HE   LYS  26           HE1      LYS  26  -5.671   3.271   3.271
  269   1HZ   LYS  26           HZ3      LYS  26  -6.575   2.031   2.031
  270   2HZ   LYS  26           HZ2      LYS  26  -8.077   2.135   2.135
  271   3HZ   LYS  26           HZ1      LYS  26  -7.224   3.549   3.549
  272    H    VAL  27            HN      VAL  27  -4.910  -2.803  -2.803
  273    HA   VAL  27            HA      VAL  27  -2.696  -1.461  -1.461
  274    HB   VAL  27            HB      VAL  27  -2.630  -3.700  -3.700
  275   1HG1  VAL  27          HG12      VAL  27  -0.590  -2.332  -2.332
  276   2HG1  VAL  27          HG11      VAL  27  -0.520  -4.095  -4.095
  277   3HG1  VAL  27          HG13      VAL  27  -0.393  -3.214  -3.214
  278   1HG2  VAL  27          HG22      VAL  27  -3.944  -3.795  -3.795
  279   2HG2  VAL  27          HG21      VAL  27  -3.079  -5.185  -5.185
  280   3HG2  VAL  27          HG23      VAL  27  -2.315  -4.168  -4.168
  281    H    LEU  28            HN      LEU  28  -2.030   0.461   0.461
  282    HA   LEU  28            HA      LEU  28  -1.903   1.026   1.026
  283   1HB   LEU  28           HB2      LEU  28  -0.607   2.884   2.884
  284   2HB   LEU  28           HB1      LEU  28  -1.587   3.257   3.257
  285    HG   LEU  28            HG      LEU  28  -3.317   1.970   1.970
  286   1HD1  LEU  28          HD13      LEU  28  -1.496   4.046   4.046
  287   2HD1  LEU  28          HD12      LEU  28  -3.069   3.635   3.635
  288   3HD1  LEU  28          HD11      LEU  28  -1.808   2.410   2.410
  289   1HD2  LEU  28          HD23      LEU  28  -3.317   4.185   4.185
  290   2HD2  LEU  28          HD22      LEU  28  -4.638   3.712   3.712
  291   3HD2  LEU  28          HD21      LEU  28  -3.456   4.903   4.903
  292    H    ASN  29            HN      ASN  29   0.179   0.057   0.057
  293    HA   ASN  29            HA      ASN  29   2.400  -0.198  -0.198
  294   1HB   ASN  29           HB2      ASN  29   2.501   2.027   2.027
  295   2HB   ASN  29           HB1      ASN  29   2.971   1.021   1.021
  296   1HD2  ASN  29          HD22      ASN  29   5.522   1.211   1.211
  297   2HD2  ASN  29          HD21      ASN  29   3.861   1.456   1.456
  298    H    GLU  30            HN      GLU  30   3.589  -1.985  -1.985
  299    HA   GLU  30            HA      GLU  30   3.048  -3.706  -3.706
  300   1HB   GLU  30           HB2      GLU  30   4.405  -4.413  -4.413
  301   2HB   GLU  30           HB1      GLU  30   3.895  -5.537  -5.537
  302   1HG   GLU  30           HG2      GLU  30   1.527  -4.707  -4.707
  303   2HG   GLU  30           HG1      GLU  30   2.119  -3.831  -3.831
  304    H    GLU  31            HN      GLU  31   5.312  -5.206  -5.206
  305    HA   GLU  31            HA      GLU  31   7.581  -5.202  -5.202
  306   1HB   GLU  31           HB2      GLU  31   7.810  -2.387  -2.387
  307   2HB   GLU  31           HB1      GLU  31   9.089  -3.580  -3.580
  308   1HG   GLU  31           HG2      GLU  31   7.747  -5.028  -5.028
  309   2HG   GLU  31           HG1      GLU  31   6.882  -3.540  -3.540
  310    H    CYS  32            HN      CYS  32   9.067  -3.139  -3.139
  311    HA   CYS  32            HA      CYS  32   9.251  -1.772  -1.772
  312   1HB   CYS  32           HB2      CYS  32   6.711  -1.121  -1.121
  313   2HB   CYS  32           HB1      CYS  32   6.386  -1.816  -1.816
  314    HG   CYS  32            HG      CYS  32   7.710   0.875   0.875
  315    H    ASP  33            HN      ASP  33   7.727  -2.078  -2.078
  316    HA   ASP  33            HA      ASP  33   8.897  -3.892  -3.892
  317   1HB   ASP  33           HB2      ASP  33   6.862  -2.403  -2.403
  318   2HB   ASP  33           HB1      ASP  33   5.915  -3.830  -3.830
  319    H    GLN  34            HN      GLN  34   8.710  -6.009  -6.009
  320    HA   GLN  34            HA      GLN  34   8.015  -7.821  -7.821
  321   1HB   GLN  34           HB2      GLN  34   9.026  -8.463  -8.463
  322   2HB   GLN  34           HB1      GLN  34   9.008  -9.561  -9.561
  323   1HG   GLN  34           HG2      GLN  34  10.347  -7.001  -7.001
  324   2HG   GLN  34           HG1      GLN  34  11.130  -7.926  -7.926
  325   1HE2  GLN  34          HE22      GLN  34  12.343  -9.030  -9.030
  326   2HE2  GLN  34          HE21      GLN  34  12.189  -7.494  -7.494
  327    H    ASN  35            HN      ASN  35   5.945  -6.371  -6.371
  328    HA   ASN  35            HA      ASN  35   4.061  -8.583  -8.583
  329   1HB   ASN  35           HB2      ASN  35   5.314  -7.649  -7.649
  330   2HB   ASN  35           HB1      ASN  35   3.595  -8.033  -8.033
  331   1HD2  ASN  35          HD22      ASN  35   6.113 -11.066 -11.066
  332   2HD2  ASN  35          HD21      ASN  35   6.459  -9.463  -9.463
  333    H    TRP  36            HN      TRP  36   4.417  -5.568  -5.568
  334    HA   TRP  36            HA      TRP  36   1.585  -4.889  -4.889
  335   1HB   TRP  36           HB2      TRP  36   3.760  -2.791  -2.791
  336   2HB   TRP  36           HB1      TRP  36   2.034  -2.591  -2.591
  337    HD1  TRP  36           HD1      TRP  36   4.774  -5.051  -5.051
  338    HE1  TRP  36           HE1      TRP  36   4.540  -5.167  -5.167
  339    HE3  TRP  36           HE3      TRP  36   0.755  -1.876  -1.876
  340    HZ2  TRP  36           HZ2      TRP  36   2.976  -4.080  -4.080
  341    HZ3  TRP  36           HZ3      TRP  36  -0.005  -1.429  -1.429
  342    HH2  TRP  36           HH2      TRP  36   1.081  -2.532  -2.532
  343    H    TYR  37            HN      TYR  37   0.613  -3.826  -3.826
  344    HA   TYR  37            HA      TYR  37   2.256  -3.414  -3.414
  345   1HB   TYR  37           HB2      TYR  37  -0.747  -3.676  -3.676
  346   2HB   TYR  37           HB1      TYR  37   0.067  -3.450  -3.450
  347    HD1  TYR  37           HD2      TYR  37   2.365  -5.304  -5.304
  348    HD2  TYR  37           HD1      TYR  37  -1.708  -5.752  -5.752
  349    HE1  TYR  37           HE2      TYR  37   2.555  -7.767  -7.767
  350    HE2  TYR  37           HE1      TYR  37  -1.539  -8.202  -8.202
  351    HH   TYR  37            HH      TYR  37   0.018  -9.944  -9.944
  352    H    LYS  38            HN      LYS  38   0.986  -1.701  -1.701
  353    HA   LYS  38            HA      LYS  38   0.296   0.703   0.703
  354   1HB   LYS  38           HB2      LYS  38   2.471   0.772   0.772
  355   2HB   LYS  38           HB1      LYS  38   1.342   0.850   0.850
  356   1HG   LYS  38           HG2      LYS  38   0.278   2.693   2.693
  357   2HG   LYS  38           HG1      LYS  38   2.011   2.898   2.898
  358   1HD   LYS  38           HD2      LYS  38   1.608   2.661   2.661
  359   2HD   LYS  38           HD1      LYS  38   0.380   3.775   3.775
  360   1HE   LYS  38           HE2      LYS  38   2.175   5.036   5.036
  361   2HE   LYS  38           HE1      LYS  38   3.367   3.979   3.979
  362   1HZ   LYS  38           HZ1      LYS  38   2.439   4.684   4.684
  363   2HZ   LYS  38           HZ3      LYS  38   1.482   5.823   5.823
  364   3HZ   LYS  38           HZ2      LYS  38   3.176   5.943   5.943
  365    H    ALA  39            HN      ALA  39  -1.858   1.279   1.279
  366    HA   ALA  39            HA      ALA  39  -3.078   0.732   0.732
  367   1HB   ALA  39           HB3      ALA  39  -3.226  -1.412  -1.412
  368   2HB   ALA  39           HB2      ALA  39  -4.134  -0.594  -0.594
  369   3HB   ALA  39           HB1      ALA  39  -4.812  -0.718  -0.718
  370    H    GLU  40            HN      GLU  40  -5.606   1.032   1.032
  371    HA   GLU  40            HA      GLU  40  -6.033   3.340   3.340
  372   1HB   GLU  40           HB2      GLU  40  -5.717   4.890   4.890
  373   2HB   GLU  40           HB1      GLU  40  -4.988   3.622   3.622
  374   1HG   GLU  40           HG2      GLU  40  -7.154   3.213   3.213
  375   2HG   GLU  40           HG1      GLU  40  -7.945   4.383   4.383
  376    H    LEU  41            HN      LEU  41  -7.983   3.549   3.549
  377    HA   LEU  41            HA      LEU  41 -10.115   1.863   1.863
  378   1HB   LEU  41           HB2      LEU  41  -9.615   2.883   2.883
  379   2HB   LEU  41           HB1      LEU  41 -11.298   2.687   2.687
  380    HG   LEU  41            HG      LEU  41  -9.313   0.532   0.532
  381   1HD1  LEU  41          HD12      LEU  41  -9.299   1.284   1.284
  382   2HD1  LEU  41          HD11      LEU  41 -10.969   0.715   0.715
  383   3HD1  LEU  41          HD13      LEU  41  -9.667  -0.415  -0.415
  384   1HD2  LEU  41          HD22      LEU  41 -11.669   0.675   0.675
  385   2HD2  LEU  41          HD21      LEU  41 -11.280  -0.821  -0.821
  386   3HD2  LEU  41          HD23      LEU  41 -12.255   0.424   0.424
  387    H    ASN  42            HN      ASN  42 -10.867   2.910   2.910
  388    HA   ASN  42            HA      ASN  42 -11.962   4.583   4.583
  389   1HB   ASN  42           HB2      ASN  42 -13.320   4.143   4.143
  390   2HB   ASN  42           HB1      ASN  42 -13.885   5.495   5.495
  391   1HD2  ASN  42          HD22      ASN  42 -14.057   1.785   1.785
  392   2HD2  ASN  42          HD21      ASN  42 -12.701   2.193   2.193
  393    H    GLY  43            HN      GLY  43  -9.702   5.762   5.762
  394   1HA   GLY  43           HA2      GLY  43  -9.598   8.365   8.365
  395   2HA   GLY  43           HA1      GLY  43 -10.779   8.440   8.440
  396    H    LYS  44            HN      LYS  44  -9.519   6.396   6.396
  397    HA   LYS  44            HA      LYS  44  -7.339   7.984   7.984
  398   1HB   LYS  44           HB2      LYS  44  -9.092   5.800   5.800
  399   2HB   LYS  44           HB1      LYS  44  -7.472   6.010   6.010
  400   1HG   LYS  44           HG2      LYS  44  -7.887   8.154   8.154
  401   2HG   LYS  44           HG1      LYS  44  -9.227   8.405   8.405
  402   1HD   LYS  44           HD2      LYS  44 -10.099   8.088   8.088
  403   2HD   LYS  44           HD1      LYS  44 -10.564   6.722   6.722
  404   1HE   LYS  44           HE2      LYS  44  -8.969   5.299   5.299
  405   2HE   LYS  44           HE1      LYS  44  -8.032   6.643   6.643
  406   1HZ   LYS  44           HZ2      LYS  44  -9.885   7.147   7.147
  407   2HZ   LYS  44           HZ1      LYS  44 -10.743   5.810   5.810
  408   3HZ   LYS  44           HZ3      LYS  44  -9.299   5.574   5.574
  409    H    ASP  45            HN      ASP  45  -5.479   6.640   6.640
  410    HA   ASP  45            HA      ASP  45  -4.898   4.249   4.249
  411   1HB   ASP  45           HB2      ASP  45  -3.726   4.954   4.954
  412   2HB   ASP  45           HB1      ASP  45  -4.810   6.318   6.318
  413    H    GLY  46            HN      GLY  46  -2.336   3.894   3.894
  414   1HA   GLY  46           HA2      GLY  46  -0.318   4.746   4.746
  415   2HA   GLY  46           HA1      GLY  46  -1.385   4.718   4.718
  416    H    PHE  47            HN      PHE  47   0.480   3.284   3.284
  417    HA   PHE  47            HA      PHE  47   0.839   0.683   0.683
  418   1HB   PHE  47           HB2      PHE  47   1.457   1.682   1.682
  419   2HB   PHE  47           HB1      PHE  47   2.031   0.156   0.156
  420    HD1  PHE  47           HD2      PHE  47   3.317   0.284   0.284
  421    HD2  PHE  47           HD1      PHE  47   2.696   3.644   3.644
  422    HE1  PHE  47           HE2      PHE  47   5.210   1.469   1.469
  423    HE2  PHE  47           HE1      PHE  47   4.588   4.830   4.830
  424    HZ   PHE  47            HZ      PHE  47   5.847   3.742   3.742
  425    H    ILE  48            HN      ILE  48   0.140  -1.392  -1.392
  426    HA   ILE  48            HA      ILE  48  -2.038  -1.367  -1.367
  427    HB   ILE  48            HB      ILE  48  -3.322  -2.970  -2.970
  428   1HG1  ILE  48          HG12      ILE  48  -1.890  -1.460  -1.460
  429   2HG1  ILE  48          HG11      ILE  48  -1.261  -3.001  -3.001
  430   1HG2  ILE  48          HG23      ILE  48  -3.821  -0.498  -0.498
  431   2HG2  ILE  48          HG22      ILE  48  -3.205  -0.147  -0.147
  432   3HG2  ILE  48          HG21      ILE  48  -4.611  -1.194  -1.194
  433   1HD1  ILE  48          HD12      ILE  48  -4.158  -3.028  -3.028
  434   2HD1  ILE  48          HD11      ILE  48  -3.165  -2.729  -2.729
  435   3HD1  ILE  48          HD13      ILE  48  -2.915  -4.188  -4.188
  436    HA   PRO  49            HA      PRO  49   0.647  -4.834  -4.834
  437   1HB   PRO  49           HB2      PRO  49  -0.769  -5.794  -5.794
  438   2HB   PRO  49           HB1      PRO  49   0.450  -4.504  -4.504
  439   1HG   PRO  49           HG2      PRO  49  -2.555  -4.283  -4.283
  440   2HG   PRO  49           HG1      PRO  49  -1.350  -3.233  -3.233
  441   1HD   PRO  49           HD2      PRO  49  -2.647  -2.585  -2.585
  442   2HD   PRO  49           HD1      PRO  49  -1.120  -1.910  -1.910
  443    H    LYS  50            HN      LYS  50   0.415  -6.292  -6.292
  444    HA   LYS  50            HA      LYS  50  -1.732  -7.479  -7.479
  445   1HB   LYS  50           HB2      LYS  50   0.684  -7.656  -7.656
  446   2HB   LYS  50           HB1      LYS  50   0.846  -8.858  -8.858
  447   1HG   LYS  50           HG2      LYS  50  -0.870 -10.243 -10.243
  448   2HG   LYS  50           HG1      LYS  50  -0.929  -9.058  -9.058
  449   1HD   LYS  50           HD2      LYS  50   1.257  -9.520  -9.520
  450   2HD   LYS  50           HD1      LYS  50   1.715 -10.181 -10.181
  451   1HE   LYS  50           HE2      LYS  50  -0.462 -11.609 -11.609
  452   2HE   LYS  50           HE1      LYS  50   1.153 -11.748 -11.748
  453   1HZ   LYS  50           HZ2      LYS  50   0.684 -12.164 -12.164
  454   2HZ   LYS  50           HZ1      LYS  50   0.465 -13.427 -13.427
  455   3HZ   LYS  50           HZ3      LYS  50   1.986 -12.697 -12.697
  456    H    ASN  51            HN      ASN  51  -0.741  -8.236  -8.236
  457    HA   ASN  51            HA      ASN  51  -1.649 -10.837 -10.837
  458   1HB   ASN  51           HB2      ASN  51  -1.110  -8.668  -8.668
  459   2HB   ASN  51           HB1      ASN  51  -2.050  -9.987  -9.987
  460   1HD2  ASN  51          HD22      ASN  51   1.700 -10.958 -10.958
  461   2HD2  ASN  51          HD21      ASN  51   0.763  -9.834  -9.834
  462    H    TYR  52            HN      TYR  52  -3.291  -7.814  -7.814
  463    HA   TYR  52            HA      TYR  52  -5.921  -9.063  -9.063
  464   1HB   TYR  52           HB2      TYR  52  -4.845  -6.247  -6.247
  465   2HB   TYR  52           HB1      TYR  52  -6.569  -6.526  -6.526
  466    HD1  TYR  52           HD1      TYR  52  -3.595  -7.336  -7.336
  467    HD2  TYR  52           HD2      TYR  52  -7.815  -6.751  -6.751
  468    HE1  TYR  52           HE1      TYR  52  -3.769  -7.413  -7.413
  469    HE2  TYR  52           HE2      TYR  52  -7.979  -6.846  -6.846
  470    HH   TYR  52            HH      TYR  52  -6.201  -6.280  -6.280
  471    H    ILE  53            HN      ILE  53  -4.359  -9.405  -9.405
  472    HA   ILE  53            HA      ILE  53  -6.430  -8.627  -8.627
  473    HB   ILE  53            HB      ILE  53  -3.929  -7.755  -7.755
  474   1HG1  ILE  53          HG12      ILE  53  -5.008  -6.073  -6.073
  475   2HG1  ILE  53          HG11      ILE  53  -3.544  -7.055  -7.055
  476   1HG2  ILE  53          HG23      ILE  53  -6.401  -7.358  -7.358
  477   2HG2  ILE  53          HG22      ILE  53  -6.312  -6.012  -6.012
  478   3HG2  ILE  53          HG21      ILE  53  -5.208  -6.094  -6.094
  479   1HD1  ILE  53          HD12      ILE  53  -2.887  -5.820  -5.820
  480   2HD1  ILE  53          HD11      ILE  53  -4.081  -4.637  -4.637
  481   3HD1  ILE  53          HD13      ILE  53  -2.687  -4.997  -4.997
  482    H    GLU  54            HN      GLU  54  -5.686  -9.112  -9.112
  483    HA   GLU  54            HA      GLU  54  -3.734 -11.139 -11.139
  484   1HB   GLU  54           HB2      GLU  54  -6.547 -11.796 -11.796
  485   2HB   GLU  54           HB1      GLU  54  -5.844 -12.314 -12.314
  486   1HG   GLU  54           HG2      GLU  54  -3.887 -13.105 -13.105
  487   2HG   GLU  54           HG1      GLU  54  -5.296 -13.286 -13.286
  488    H    MET  55            HN      MET  55  -3.298 -11.383 -11.383
  489    HA   MET  55            HA      MET  55  -4.125  -8.949  -8.949
  490   1HB   MET  55           HB2      MET  55  -1.670  -9.903  -9.903
  491   2HB   MET  55           HB1      MET  55  -2.085 -10.841 -10.841
  492   1HG   MET  55           HG2      MET  55  -2.948  -8.131  -8.131
  493   2HG   MET  55           HG1      MET  55  -1.283  -8.090  -8.090
  494   1HE   MET  55           HE2      MET  55  -3.845  -9.063  -9.063
  495   2HE   MET  55           HE1      MET  55  -3.090  -9.439  -9.439
  496   3HE   MET  55           HE3      MET  55  -3.273 -10.700 -10.700
  497    H    LYS  56            HN      LYS  56  -5.907  -9.216  -9.216
  498    HA   LYS  56            HA      LYS  56  -6.113 -11.678 -11.678
  499   1HB   LYS  56           HB2      LYS  56  -8.040 -10.056 -10.056
  500   2HB   LYS  56           HB1      LYS  56  -8.576 -10.803 -10.803
  501   1HG   LYS  56           HG2      LYS  56  -7.404 -12.922 -12.922
  502   2HG   LYS  56           HG1      LYS  56  -7.521 -12.087 -12.087
  503   1HD   LYS  56           HD2      LYS  56  -9.887 -12.580 -12.580
  504   2HD   LYS  56           HD1      LYS  56  -9.465 -13.633 -13.633
  505   1HE   LYS  56           HE2      LYS  56  -9.465 -11.344 -11.344
  506   2HE   LYS  56           HE1      LYS  56 -10.550 -10.851 -10.851
  507   1HZ   LYS  56           HZ2      LYS  56 -11.691 -13.097 -13.097
  508   2HZ   LYS  56           HZ1      LYS  56 -10.905 -12.964 -12.964
  509   3HZ   LYS  56           HZ3      LYS  56 -11.993 -11.761 -11.761
  510    HA   PRO  57            HA      PRO  57  -6.253  -9.335  -9.335
  511   1HB   PRO  57           HB2      PRO  57  -7.579 -11.032 -11.032
  512   2HB   PRO  57           HB1      PRO  57  -5.886 -11.245 -11.245
  513   1HG   PRO  57           HG2      PRO  57  -8.276 -12.717 -12.717
  514   2HG   PRO  57           HG1      PRO  57  -6.594 -13.209 -13.209
  515   1HD   PRO  57           HD2      PRO  57  -8.096 -12.293 -12.293
  516   2HD   PRO  57           HD1      PRO  57  -6.347 -12.596 -12.596
  517    H    HIS  58            HN      HIS  58  -8.238  -9.201  -9.201
  518    HA   HIS  58            HA      HIS  58 -10.408  -7.801  -7.801
  519   1HB   HIS  58           HB2      HIS  58  -9.412  -7.848  -7.848
  520   2HB   HIS  58           HB1      HIS  58 -11.080  -7.361  -7.361
  521    HD1  HIS  58           HD1      HIS  58 -11.445  -5.235  -5.235
  522    HD2  HIS  58           HD2      HIS  58  -7.473  -5.968  -5.968
  523    HE1  HIS  58           HE1      HIS  58 -10.156  -3.127  -3.127
  524    HA   PRO  59            HA      PRO  59 -13.294 -11.079 -11.079
  525   1HB   PRO  59           HB2      PRO  59 -15.662  -9.704  -9.704
  526   2HB   PRO  59           HB1      PRO  59 -14.821  -9.929  -9.929
  527   1HG   PRO  59           HG2      PRO  59 -15.012  -7.472  -7.472
  528   2HG   PRO  59           HG1      PRO  59 -14.747  -7.615  -7.615
  529   1HD   PRO  59           HD2      PRO  59 -12.750  -7.081  -7.081
  530   2HD   PRO  59           HD1      PRO  59 -12.467  -7.536  -7.536
  531    H    GLU  60            HN      GLU  60 -14.823  -8.584  -8.584
  532    HA   GLU  60            HA      GLU  60 -14.182 -10.165 -10.165
  533   1HB   GLU  60           HB2      GLU  60 -16.790 -10.061 -10.061
  534   2HB   GLU  60           HB1      GLU  60 -16.880  -9.440  -9.440
  535   1HG   GLU  60           HG2      GLU  60 -15.334 -11.632 -11.632
  536   2HG   GLU  60           HG1      GLU  60 -16.296 -12.189 -12.189
  537    H    PHE  61            HN      PHE  61 -15.720  -8.773  -8.773
  538    HA   PHE  61            HA      PHE  61 -15.281  -5.887  -5.887
  539   1HB   PHE  61           HB2      PHE  61 -13.232  -7.226  -7.226
  540   2HB   PHE  61           HB1      PHE  61 -14.199  -6.912  -6.912
  541    HD1  PHE  61           HD2      PHE  61 -15.155  -4.446  -4.446
  542    HD2  PHE  61           HD1      PHE  61 -11.754  -5.576  -5.576
  543    HE1  PHE  61           HE2      PHE  61 -14.357  -2.098  -2.098
  544    HE2  PHE  61           HE1      PHE  61 -10.957  -3.229  -3.229
  545    HZ   PHE  61            HZ      PHE  61 -12.259  -1.489  -1.489
  546    H    ILE  62            HN      ILE  62 -17.678  -6.119  -6.119
  547    HA   ILE  62            HA      ILE  62 -18.688  -6.457  -6.457
  548    HB   ILE  62            HB      ILE  62 -19.741  -7.954  -7.954
  549   1HG1  ILE  62          HG12      ILE  62 -21.845  -5.882  -5.882
  550   2HG1  ILE  62          HG11      ILE  62 -21.032  -6.630  -6.630
  551   1HG2  ILE  62          HG22      ILE  62 -20.561  -5.381  -5.381
  552   2HG2  ILE  62          HG21      ILE  62 -21.106  -6.997  -6.997
  553   3HG2  ILE  62          HG23      ILE  62 -19.408  -6.561  -6.561
  554   1HD1  ILE  62          HD12      ILE  62 -21.548  -8.847  -8.847
  555   2HD1  ILE  62          HD11      ILE  62 -22.882  -7.840  -7.840
  556   3HD1  ILE  62          HD13      ILE  62 -22.702  -8.184  -8.184
  557    H    VAL  63            HN      VAL  63 -18.723  -4.326  -4.326
  558    HA   VAL  63            HA      VAL  63 -19.199  -2.036  -2.036
  559    HB   VAL  63            HB      VAL  63 -18.849  -1.994  -1.994
  560   1HG1  VAL  63          HG11      VAL  63 -18.772   0.051   0.051
  561   2HG1  VAL  63          HG13      VAL  63 -17.881   0.319   0.319
  562   3HG1  VAL  63          HG12      VAL  63 -19.633   0.118   0.118
  563   1HG2  VAL  63          HG23      VAL  63 -16.909  -2.341  -2.341
  564   2HG2  VAL  63          HG22      VAL  63 -16.808  -2.894  -2.894
  565   3HG2  VAL  63          HG21      VAL  63 -16.450  -1.214  -1.214
  566    H    THR  64            HN      THR  64 -20.862  -0.369  -0.369
  567    HA   THR  64            HA      THR  64 -23.168  -1.397  -1.397
  568    HB   THR  64            HB      THR  64 -24.579  -0.498  -0.498
  569    HG1  THR  64           HG1      THR  64 -23.525  -0.995  -0.995
  570   1HG2  THR  64          HG21      THR  64 -24.437  -2.835  -2.835
  571   2HG2  THR  64          HG23      THR  64 -23.299  -3.220  -3.220
  572   3HG2  THR  64          HG22      THR  64 -24.954  -2.754  -2.754
  573    H    ASP  65            HN      ASP  65 -22.008   1.275   1.275
  574    HA   ASP  65            HA      ASP  65 -23.107   3.174   3.174
  575   1HB   ASP  65           HB2      ASP  65 -24.370   3.139   3.139
  576   2HB   ASP  65           HB1      ASP  65 -22.896   3.722   3.722
  577   1H    SER   1           HT3      SER   1  -8.524 -15.198 -15.198
  578   2H    SER   1           HT2      SER   1  -7.423 -15.445 -15.445
  579   3H    SER   1           HT1      SER   1  -7.975 -13.878 -13.878
  580    HA   SER   1            HA      SER   1  -5.905 -13.858 -13.858
  581   1HB   SER   1           HB2      SER   1  -5.917 -16.513 -16.513
  582   2HB   SER   1           HB1      SER   1  -6.231 -16.494 -16.494
  583    HG   SER   1            HG      SER   1  -4.380 -15.046 -15.046
  584    HA   PRO   2            HA      PRO   2  -8.686 -12.955 -12.955
  585   1HB   PRO   2           HB2      PRO   2  -8.243 -10.242 -10.242
  586   2HB   PRO   2           HB1      PRO   2  -9.512 -11.020 -11.020
  587   1HG   PRO   2           HG2      PRO   2  -6.908  -9.871  -9.871
  588   2HG   PRO   2           HG1      PRO   2  -8.419 -10.074 -10.074
  589   1HD   PRO   2           HD2      PRO   2  -6.136 -11.743 -11.743
  590   2HD   PRO   2           HD1      PRO   2  -7.754 -12.108 -12.108
  591    H    LEU   3            HN      LEU   3  -7.228 -13.939 -13.939
  592    HA   LEU   3            HA      LEU   3  -4.707 -12.536 -12.536
  593   1HB   LEU   3           HB2      LEU   3  -4.815 -15.046 -15.046
  594   2HB   LEU   3           HB1      LEU   3  -5.838 -15.068 -15.068
  595    HG   LEU   3            HG      LEU   3  -3.839 -13.555 -13.555
  596   1HD1  LEU   3          HD11      LEU   3  -2.641 -13.712 -13.712
  597   2HD1  LEU   3          HD13      LEU   3  -2.456 -15.442 -15.442
  598   3HD1  LEU   3          HD12      LEU   3  -1.692 -14.281 -14.281
  599   1HD2  LEU   3          HD23      LEU   3  -4.321 -16.496 -16.496
  600   2HD2  LEU   3          HD22      LEU   3  -4.278 -15.416 -15.416
  601   3HD2  LEU   3          HD21      LEU   3  -2.773 -15.963 -15.963
  602    H    LEU   4            HN      LEU   4  -4.764 -10.962 -10.962
  603    HA   LEU   4            HA      LEU   4  -5.662 -11.194 -11.194
  604   1HB   LEU   4           HB2      LEU   4  -7.910 -10.946 -10.946
  605   2HB   LEU   4           HB1      LEU   4  -7.677  -9.335  -9.335
  606    HG   LEU   4            HG      LEU   4  -9.165 -10.631 -10.631
  607   1HD1  LEU   4          HD12      LEU   4  -6.966  -9.196  -9.196
  608   2HD1  LEU   4          HD11      LEU   4  -6.778 -10.703 -10.703
  609   3HD1  LEU   4          HD13      LEU   4  -8.264  -9.757  -9.757
  610   1HD2  LEU   4          HD22      LEU   4  -6.841 -12.578 -12.578
  611   2HD2  LEU   4          HD21      LEU   4  -8.394 -12.890 -12.890
  612   3HD2  LEU   4          HD23      LEU   4  -8.308 -12.643 -12.643
  613    HA   PRO   5            HA      PRO   5  -4.915  -6.561  -6.561
  614   1HB   PRO   5           HB2      PRO   5  -4.665  -5.758  -5.758
  615   2HB   PRO   5           HB1      PRO   5  -6.189  -5.728  -5.728
  616   1HG   PRO   5           HG2      PRO   5  -5.296  -7.648  -7.648
  617   2HG   PRO   5           HG1      PRO   5  -6.938  -7.147  -7.147
  618   1HD   PRO   5           HD2      PRO   5  -5.733  -9.570  -9.570
  619   2HD   PRO   5           HD1      PRO   5  -7.173  -8.871  -8.871
  620    H    LYS   6            HN      LYS   6  -2.991  -5.224  -5.224
  621    HA   LYS   6            HA      LYS   6  -0.682  -5.075  -5.075
  622   1HB   LYS   6           HB2      LYS   6  -1.483  -7.486  -7.486
  623   2HB   LYS   6           HB1      LYS   6   0.220  -7.429  -7.429
  624   1HG   LYS   6           HG2      LYS   6  -1.142  -5.039  -5.039
  625   2HG   LYS   6           HG1      LYS   6  -0.461  -6.321  -6.321
  626   1HD   LYS   6           HD2      LYS   6   1.462  -5.106  -5.106
  627   2HD   LYS   6           HD1      LYS   6   1.602  -5.875  -5.875
  628   1HE   LYS   6           HE2      LYS   6   1.095  -3.954  -3.954
  629   2HE   LYS   6           HE1      LYS   6  -0.105  -3.455  -3.455
  630   1HZ   LYS   6           HZ3      LYS   6   2.791  -3.408  -3.408
  631   2HZ   LYS   6           HZ2      LYS   6   2.015  -2.095  -2.095
  632   3HZ   LYS   6           HZ1      LYS   6   1.536  -2.596  -2.596
  633    H    LEU   7            HN      LEU   7   1.274  -5.724  -5.724
  634    HA   LEU   7            HA      LEU   7   0.811  -7.673  -7.673
  635   1HB   LEU   7           HB2      LEU   7   2.347  -5.090  -5.090
  636   2HB   LEU   7           HB1      LEU   7   2.757  -6.293  -6.293
  637    HG   LEU   7            HG      LEU   7   1.136  -4.616  -4.616
  638   1HD1  LEU   7          HD12      LEU   7   0.825  -7.481  -7.481
  639   2HD1  LEU   7          HD11      LEU   7  -0.765  -6.717  -6.717
  640   3HD1  LEU   7          HD13      LEU   7   0.494  -6.310  -6.310
  641   1HD2  LEU   7          HD21      LEU   7   0.036  -4.511  -4.511
  642   2HD2  LEU   7          HD23      LEU   7  -0.930  -4.184  -4.184
  643   3HD2  LEU   7          HD22      LEU   7  -1.009  -5.765  -5.765
  644    HA   PRO   8            HA      PRO   8   4.139  -9.539  -9.539
  645   1HB   PRO   8           HB2      PRO   8   3.352 -12.145 -12.145
  646   2HB   PRO   8           HB1      PRO   8   2.706 -11.107 -11.107
  647   1HG   PRO   8           HG2      PRO   8   1.407 -11.964 -11.964
  648   2HG   PRO   8           HG1      PRO   8   0.660 -11.491 -11.491
  649   1HD   PRO   8           HD2      PRO   8   0.878  -9.862  -9.862
  650   2HD   PRO   8           HD1      PRO   8   0.437  -9.311  -9.311
  651    HA   PRO   9            HA      PRO   9   6.736 -10.878 -10.878
  652   1HB   PRO   9           HB2      PRO   9   8.312 -12.803 -12.803
  653   2HB   PRO   9           HB1      PRO   9   8.480 -11.071 -11.071
  654   1HG   PRO   9           HG2      PRO   9   7.314 -13.207 -13.207
  655   2HG   PRO   9           HG1      PRO   9   8.038 -11.659 -11.659
  656   1HD   PRO   9           HD2      PRO   9   5.256 -12.233 -12.233
  657   2HD   PRO   9           HD1      PRO   9   5.992 -10.629 -10.629
  658    H    LYS  10            HN      LYS  10   4.699 -11.940 -11.940
  659    HA   LYS  10            HA      LYS  10   3.756 -13.734 -13.734
  660   1HB   LYS  10           HB2      LYS  10   6.409 -13.964 -13.964
  661   2HB   LYS  10           HB1      LYS  10   6.123 -15.474 -15.474
  662   1HG   LYS  10           HG2      LYS  10   4.078 -15.659 -15.659
  663   2HG   LYS  10           HG1      LYS  10   5.084 -14.591 -14.591
  664   1HD   LYS  10           HD2      LYS  10   6.988 -16.306 -16.306
  665   2HD   LYS  10           HD1      LYS  10   5.646 -17.396 -17.396
  666   1HE   LYS  10           HE2      LYS  10   5.922 -15.858 -15.858
  667   2HE   LYS  10           HE1      LYS  10   6.472 -17.520 -17.520
  668   1HZ   LYS  10           HZ3      LYS  10   3.697 -16.668 -16.668
  669   2HZ   LYS  10           HZ2      LYS  10   4.176 -17.231 -17.231
  670   3HZ   LYS  10           HZ1      LYS  10   4.290 -18.247 -18.247
  671    H    THR  11            HN      THR  11   2.111 -14.677 -14.677
  672    HA   THR  11            HA      THR  11   2.821 -16.658 -16.658
  673    HB   THR  11            HB      THR  11   0.421 -16.112 -16.112
  674    HG1  THR  11           HG1      THR  11  -0.483 -14.345 -14.345
  675   1HG2  THR  11          HG21      THR  11   2.776 -15.365 -15.365
  676   2HG2  THR  11          HG23      THR  11   2.279 -13.781 -13.781
  677   3HG2  THR  11          HG22      THR  11   1.311 -14.607 -14.607
  678    H    TYR  12            HN      TYR  12   2.876 -18.300 -18.300
  679    HA   TYR  12            HA      TYR  12   0.195 -18.944 -18.944
  680   1HB   TYR  12           HB2      TYR  12   2.068 -18.490 -18.490
  681   2HB   TYR  12           HB1      TYR  12   2.907 -19.894 -19.894
  682    HD1  TYR  12           HD1      TYR  12  -0.629 -19.119 -19.119
  683    HD2  TYR  12           HD2      TYR  12   2.725 -21.783 -21.783
  684    HE1  TYR  12           HE1      TYR  12  -1.954 -20.602 -20.602
  685    HE2  TYR  12           HE2      TYR  12   1.400 -23.267 -23.267
  686    HH   TYR  12            HH      TYR  12  -0.889 -23.765 -23.765
  687    H    LYS  13            HN      LYS  13  -0.321 -21.269 -21.269
  688    HA   LYS  13            HA      LYS  13   1.199 -23.075 -23.075
  689   1HB   LYS  13           HB2      LYS  13  -1.519 -21.969 -21.969
  690   2HB   LYS  13           HB1      LYS  13  -1.176 -23.643 -23.643
  691   1HG   LYS  13           HG2      LYS  13   1.005 -22.684 -22.684
  692   2HG   LYS  13           HG1      LYS  13   0.167 -21.133 -21.133
  693   1HD   LYS  13           HD2      LYS  13  -1.793 -22.354 -22.354
  694   2HD   LYS  13           HD1      LYS  13  -0.613 -23.612 -23.612
  695   1HE   LYS  13           HE2      LYS  13  -0.596 -22.145 -22.145
  696   2HE   LYS  13           HE1      LYS  13   0.857 -21.754 -21.754
  697   1HZ   LYS  13           HZ1      LYS  13  -1.646 -20.316 -20.316
  698   2HZ   LYS  13           HZ3      LYS  13  -0.716 -19.872 -19.872
  699   3HZ   LYS  13           HZ2      LYS  13  -0.039 -19.804 -19.804
  700    H    ARG  14            HN      ARG  14   0.977 -25.212 -25.212
  701    HA   ARG  14            HA      ARG  14  -0.168 -25.744 -25.744
  702   1HB   ARG  14           HB2      ARG  14   0.345 -28.134 -28.134
  703   2HB   ARG  14           HB1      ARG  14   1.716 -27.061 -27.061
  704   1HG   ARG  14           HG2      ARG  14   1.399 -27.087 -27.087
  705   2HG   ARG  14           HG1      ARG  14  -0.218 -27.778 -27.778
  706   1HD   ARG  14           HD2      ARG  14   0.978 -29.783 -29.783
  707   2HD   ARG  14           HD1      ARG  14   2.447 -29.124 -29.124
  708    HE   ARG  14            HE      ARG  14   0.081 -30.061 -30.061
  709   1HH1  ARG  14          HH11      ARG  14   1.498 -28.298 -28.298
  710   2HH1  ARG  14          HH12      ARG  14   2.783 -29.254 -29.254
  711   1HH2  ARG  14          HH21      ARG  14   2.563 -31.712 -31.712
  712   2HH2  ARG  14          HH22      ARG  14   3.386 -31.187 -31.187
  713    H    GLU  15            HN      GLU  15  -2.089 -26.826 -26.826
  714    HA   GLU  15            HA      GLU  15  -4.178 -26.802 -26.802
  715   1HB   GLU  15           HB2      GLU  15  -5.732 -27.184 -27.184
  716   2HB   GLU  15           HB1      GLU  15  -4.762 -25.721 -25.721
  717   1HG   GLU  15           HG2      GLU  15  -3.492 -26.592 -26.592
  718   2HG   GLU  15           HG1      GLU  15  -3.637 -28.247 -28.247

  Start of MODEL    3
    1   1H    GLY  -8           HT3      GLY  -8   5.355  -3.968  -3.968
    2   2H    GLY  -8           HT2      GLY  -8   3.976  -4.538  -4.538
    3   3H    GLY  -8           HT1      GLY  -8   5.064  -3.506  -3.506
    4   1HA   GLY  -8           HA1      GLY  -8   3.488  -2.044  -2.044
    5   2HA   GLY  -8           HA2      GLY  -8   2.933  -2.926  -2.926
    6    H    SER  -7            HN      SER  -7   3.163  -0.787  -0.787
    7    HA   SER  -7            HA      SER  -7   5.677   0.581   0.581
    8   1HB   SER  -7           HB2      SER  -7   5.134   1.357   1.357
    9   2HB   SER  -7           HB1      SER  -7   3.568   1.936   1.936
   10    HG   SER  -7            HG      SER  -7   6.156   2.904   2.904
   11    H    ARG  -6            HN      ARG  -6   4.925   0.221   0.221
   12    HA   ARG  -6            HA      ARG  -6   2.483   1.500   1.500
   13   1HB   ARG  -6           HB2      ARG  -6   4.832   0.533   0.533
   14   2HB   ARG  -6           HB1      ARG  -6   3.171   0.768   0.768
   15   1HG   ARG  -6           HG2      ARG  -6   2.638  -0.940  -0.940
   16   2HG   ARG  -6           HG1      ARG  -6   4.318  -1.414  -1.414
   17   1HD   ARG  -6           HD2      ARG  -6   2.488  -1.131  -1.131
   18   2HD   ARG  -6           HD1      ARG  -6   2.416  -2.593  -2.593
   19    HE   ARG  -6            HE      ARG  -6   5.143  -2.124  -2.124
   20   1HH1  ARG  -6          HH11      ARG  -6   2.863  -1.666  -1.666
   21   2HH1  ARG  -6          HH12      ARG  -6   3.285  -3.034  -3.034
   22   1HH2  ARG  -6          HH21      ARG  -6   5.406  -4.406  -4.406
   23   2HH2  ARG  -6          HH22      ARG  -6   4.725  -4.585  -4.585
   24    H    ARG  -5            HN      ARG  -5   2.262   3.582   3.582
   25    HA   ARG  -5            HA      ARG  -5   4.561   5.106   5.106
   26   1HB   ARG  -5           HB2      ARG  -5   3.224   5.726   5.726
   27   2HB   ARG  -5           HB1      ARG  -5   4.063   6.968   6.968
   28   1HG   ARG  -5           HG2      ARG  -5   5.981   5.120   5.120
   29   2HG   ARG  -5           HG1      ARG  -5   5.179   4.574   4.574
   30   1HD   ARG  -5           HD2      ARG  -5   6.363   6.158   6.158
   31   2HD   ARG  -5           HD1      ARG  -5   5.328   7.350   7.350
   32    HE   ARG  -5            HE      ARG  -5   7.182   7.954   7.954
   33   1HH1  ARG  -5          HH11      ARG  -5   8.074   6.248   6.248
   34   2HH1  ARG  -5          HH12      ARG  -5   9.404   5.353   5.353
   35   1HH2  ARG  -5          HH21      ARG  -5   8.659   6.152   6.152
   36   2HH2  ARG  -5          HH22      ARG  -5   9.734   5.297   5.297
   37    H    ALA  -4            HN      ALA  -4   1.414   5.971   5.971
   38    HA   ALA  -4            HA      ALA  -4   0.746   7.744   7.744
   39   1HB   ALA  -4           HB3      ALA  -4  -0.614   6.777   6.777
   40   2HB   ALA  -4           HB2      ALA  -4  -1.618   7.464   7.464
   41   3HB   ALA  -4           HB1      ALA  -4  -0.332   8.428   8.428
   42    H    SER  -3            HN      SER  -3  -1.023   4.854   4.854
   43    HA   SER  -3            HA      SER  -3  -1.165   3.748   3.748
   44   1HB   SER  -3           HB2      SER  -3  -3.803   4.367   4.367
   45   2HB   SER  -3           HB1      SER  -3  -3.464   4.006   4.006
   46    HG   SER  -3            HG      SER  -3  -3.510   6.116   6.116
   47    H    VAL  -2            HN      VAL  -2  -1.910   1.559   1.559
   48    HA   VAL  -2            HA      VAL  -2  -2.400   0.420   0.420
   49    HB   VAL  -2            HB      VAL  -2  -0.755  -0.888  -0.888
   50   1HG1  VAL  -2          HG11      VAL  -2  -1.991  -2.330  -2.330
   51   2HG1  VAL  -2          HG13      VAL  -2  -0.991  -1.585  -1.585
   52   3HG1  VAL  -2          HG12      VAL  -2  -0.241  -2.542  -2.542
   53   1HG2  VAL  -2          HG22      VAL  -2  -0.049   1.069   1.069
   54   2HG2  VAL  -2          HG21      VAL  -2   0.853   0.583   0.583
   55   3HG2  VAL  -2          HG23      VAL  -2   0.940  -0.391  -0.391
   56    H    GLY  -1            HN      GLY  -1  -2.687  -0.144  -0.144
   57   1HA   GLY  -1           HA2      GLY  -1  -5.256  -0.588  -0.588
   58   2HA   GLY  -1           HA1      GLY  -1  -4.937  -2.016  -2.016
   59    H    SER   0            HN      SER   0  -4.251  -0.444  -0.444
   60    HA   SER   0            HA      SER   0  -2.436  -2.407  -2.407
   61   1HB   SER   0           HB2      SER   0  -4.357  -1.027  -1.027
   62   2HB   SER   0           HB1      SER   0  -2.623  -1.276  -1.276
   63    HG   SER   0            HG      SER   0  -3.899   0.855   0.855
   64    H    MET   1            HN      MET   1  -3.282  -3.575  -3.575
   65    HA   MET   1            HA      MET   1  -5.667  -5.174  -5.174
   66   1HB   MET   1           HB2      MET   1  -3.064  -5.922  -5.922
   67   2HB   MET   1           HB1      MET   1  -4.505  -6.825  -6.825
   68   1HG   MET   1           HG2      MET   1  -4.864  -7.661  -7.661
   69   2HG   MET   1           HG1      MET   1  -4.007  -6.335  -6.335
   70   1HE   MET   1           HE1      MET   1  -1.891  -6.020  -6.020
   71   2HE   MET   1           HE3      MET   1  -0.554  -7.176  -7.176
   72   3HE   MET   1           HE2      MET   1  -1.900  -7.435  -7.435
   73    H    GLU   2            HN      GLU   2  -6.378  -6.410  -6.410
   74    HA   GLU   2            HA      GLU   2  -6.705  -4.231  -4.231
   75   1HB   GLU   2           HB2      GLU   2  -8.679  -5.437  -5.437
   76   2HB   GLU   2           HB1      GLU   2  -8.870  -6.156  -6.156
   77   1HG   GLU   2           HG2      GLU   2  -9.360  -4.118  -4.118
   78   2HG   GLU   2           HG1      GLU   2  -8.512  -3.191  -3.191
   79    H    ALA   3            HN      ALA   3  -7.570  -5.385  -5.385
   80    HA   ALA   3            HA      ALA   3  -6.559  -8.087  -8.087
   81   1HB   ALA   3           HB3      ALA   3  -5.114  -5.691  -5.691
   82   2HB   ALA   3           HB2      ALA   3  -5.245  -7.030  -7.030
   83   3HB   ALA   3           HB1      ALA   3  -4.510  -7.292  -7.292
   84    H    ILE   4            HN      ILE   4  -8.047  -9.012  -9.012
   85    HA   ILE   4            HA      ILE   4 -10.164  -7.724  -7.724
   86    HB   ILE   4            HB      ILE   4 -10.365  -9.950  -9.950
   87   1HG1  ILE   4          HG12      ILE   4 -10.594 -10.674 -10.674
   88   2HG1  ILE   4          HG11      ILE   4 -11.292  -9.096  -9.096
   89   1HG2  ILE   4          HG21      ILE   4  -7.861 -10.387 -10.387
   90   2HG2  ILE   4          HG23      ILE   4  -8.808 -11.209 -11.209
   91   3HG2  ILE   4          HG22      ILE   4  -8.979 -11.671 -11.671
   92   1HD1  ILE   4          HD13      ILE   4 -11.845 -11.466 -11.466
   93   2HD1  ILE   4          HD12      ILE   4 -12.778 -11.174 -11.174
   94   3HD1  ILE   4          HD11      ILE   4 -12.768  -9.977  -9.977
   95    H    ALA   5            HN      ALA   5 -10.277  -6.784  -6.784
   96    HA   ALA   5            HA      ALA   5  -8.109  -6.939  -6.939
   97   1HB   ALA   5           HB3      ALA   5 -10.820  -5.598  -5.598
   98   2HB   ALA   5           HB2      ALA   5  -9.889  -5.683  -5.683
   99   3HB   ALA   5           HB1      ALA   5  -9.226  -4.844  -4.844
  100    H    LYS   6            HN      LYS   6  -7.978  -9.005  -9.005
  101    HA   LYS   6            HA      LYS   6 -10.094 -10.834 -10.834
  102   1HB   LYS   6           HB2      LYS   6  -7.536 -10.638 -10.638
  103   2HB   LYS   6           HB1      LYS   6  -8.579 -12.056 -12.056
  104   1HG   LYS   6           HG2      LYS   6  -8.077 -12.382 -12.382
  105   2HG   LYS   6           HG1      LYS   6  -7.444 -10.750 -10.750
  106   1HD   LYS   6           HD2      LYS   6  -5.547 -12.199 -12.199
  107   2HD   LYS   6           HD1      LYS   6  -5.618 -11.393 -11.393
  108   1HE   LYS   6           HE2      LYS   6  -6.806 -13.365 -13.365
  109   2HE   LYS   6           HE1      LYS   6  -6.662 -14.173 -14.173
  110   1HZ   LYS   6           HZ1      LYS   6  -4.286 -13.121 -13.121
  111   2HZ   LYS   6           HZ3      LYS   6  -4.907 -14.654 -14.654
  112   3HZ   LYS   6           HZ2      LYS   6  -4.370 -14.317 -14.317
  113    H    TYR   7            HN      TYR   7  -9.100  -8.179  -8.179
  114    HA   TYR   7            HA      TYR   7 -11.452  -8.708  -8.708
  115   1HB   TYR   7           HB2      TYR   7  -8.747  -8.349  -8.349
  116   2HB   TYR   7           HB1      TYR   7 -10.257  -8.789  -8.789
  117    HD1  TYR   7           HD2      TYR   7  -7.557  -9.954  -9.954
  118    HD2  TYR   7           HD1      TYR   7 -11.061 -11.067 -11.067
  119    HE1  TYR   7           HE2      TYR   7  -7.006 -12.343 -12.343
  120    HE2  TYR   7           HE1      TYR   7 -10.516 -13.465 -13.465
  121    HH   TYR   7            HH      TYR   7  -7.785 -14.651 -14.651
  122    H    ASP   8            HN      ASP   8 -11.200  -6.995  -6.995
  123    HA   ASP   8            HA      ASP   8 -11.335  -4.403  -4.403
  124   1HB   ASP   8           HB2      ASP   8 -12.373  -5.647  -5.647
  125   2HB   ASP   8           HB1      ASP   8 -11.532  -4.164  -4.164
  126    H    PHE   9            HN      PHE   9 -10.221  -2.519  -2.519
  127    HA   PHE   9            HA      PHE   9  -8.011  -2.681  -2.681
  128   1HB   PHE   9           HB2      PHE   9  -7.380  -3.945  -3.945
  129   2HB   PHE   9           HB1      PHE   9  -6.556  -2.392  -2.392
  130    HD1  PHE   9           HD2      PHE   9  -7.336  -4.557  -4.557
  131    HD2  PHE   9           HD1      PHE   9  -4.289  -2.911  -2.911
  132    HE1  PHE   9           HE2      PHE   9  -5.584  -5.443  -5.443
  133    HE2  PHE   9           HE1      PHE   9  -2.540  -3.800  -3.800
  134    HZ   PHE   9            HZ      PHE   9  -3.188  -5.064  -5.064
  135    H    LYS  10            HN      LYS  10  -6.413  -0.755  -0.755
  136    HA   LYS  10            HA      LYS  10  -7.643   1.445   1.445
  137   1HB   LYS  10           HB2      LYS  10  -8.286   1.192   1.192
  138   2HB   LYS  10           HB1      LYS  10  -6.915   2.301   2.301
  139   1HG   LYS  10           HG2      LYS  10  -8.007   3.826   3.826
  140   2HG   LYS  10           HG1      LYS  10  -9.304   2.669   2.669
  141   1HD   LYS  10           HD2      LYS  10 -10.234   4.175   4.175
  142   2HD   LYS  10           HD1      LYS  10  -9.758   2.774   2.774
  143   1HE   LYS  10           HE2      LYS  10  -8.777   4.418   4.418
  144   2HE   LYS  10           HE1      LYS  10  -7.460   4.148   4.148
  145   1HZ   LYS  10           HZ3      LYS  10  -8.702   5.909   5.909
  146   2HZ   LYS  10           HZ2      LYS  10  -9.426   6.337   6.337
  147   3HZ   LYS  10           HZ1      LYS  10  -7.738   6.415   6.415
  148    H    ALA  11            HN      ALA  11  -6.243   3.358   3.358
  149    HA   ALA  11            HA      ALA  11  -3.589   2.576   2.576
  150   1HB   ALA  11           HB1      ALA  11  -5.055   4.661   4.661
  151   2HB   ALA  11           HB3      ALA  11  -4.192   5.436   5.436
  152   3HB   ALA  11           HB2      ALA  11  -3.290   4.730   4.730
  153    H    THR  12            HN      THR  12  -1.747   2.630   2.630
  154    HA   THR  12            HA      THR  12  -2.063   3.661   3.661
  155    HB   THR  12            HB      THR  12  -0.528   1.905   1.905
  156    HG1  THR  12           HG1      THR  12   0.462   0.602   0.602
  157   1HG2  THR  12          HG21      THR  12  -3.097   1.510   1.510
  158   2HG2  THR  12          HG23      THR  12  -2.376   0.367   0.367
  159   3HG2  THR  12          HG22      THR  12  -2.076   0.202   0.202
  160    H    ALA  13            HN      ALA  13  -1.223   5.324   5.324
  161    HA   ALA  13            HA      ALA  13   1.182   6.458   6.458
  162   1HB   ALA  13           HB2      ALA  13   1.504   4.516   4.516
  163   2HB   ALA  13           HB1      ALA  13   2.539   5.945   5.945
  164   3HB   ALA  13           HB3      ALA  13   2.544   4.768   4.768
  165    H    ASP  14            HN      ASP  14   2.176   7.915   7.915
  166    HA   ASP  14            HA      ASP  14  -0.046   9.503   9.503
  167   1HB   ASP  14           HB2      ASP  14   2.155  10.217  10.217
  168   2HB   ASP  14           HB1      ASP  14   2.848  10.068  10.068
  169    H    ASP  15            HN      ASP  15   1.404   6.836   6.836
  170    HA   ASP  15            HA      ASP  15   0.838   7.644   7.644
  171   1HB   ASP  15           HB2      ASP  15   3.468   6.894   6.894
  172   2HB   ASP  15           HB1      ASP  15   3.015   6.066   6.066
  173    H    GLU  16            HN      GLU  16  -0.433   5.914   5.914
  174    HA   GLU  16            HA      GLU  16  -0.235   3.266   3.266
  175   1HB   GLU  16           HB2      GLU  16   0.108   3.591   3.591
  176   2HB   GLU  16           HB1      GLU  16  -1.641   3.769   3.769
  177   1HG   GLU  16           HG2      GLU  16  -2.022   1.582   1.582
  178   2HG   GLU  16           HG1      GLU  16  -0.652   1.477   1.477
  179    H    LEU  17            HN      LEU  17  -2.513   2.106   2.106
  180    HA   LEU  17            HA      LEU  17  -4.595   4.086   4.086
  181   1HB   LEU  17           HB2      LEU  17  -3.610   3.094   3.094
  182   2HB   LEU  17           HB1      LEU  17  -3.930   1.482   1.482
  183    HG   LEU  17            HG      LEU  17  -6.353   1.971   1.971
  184   1HD1  LEU  17          HD13      LEU  17  -5.439   4.662   4.662
  185   2HD1  LEU  17          HD12      LEU  17  -6.400   4.257   4.257
  186   3HD1  LEU  17          HD11      LEU  17  -7.094   4.089   4.089
  187   1HD2  LEU  17          HD22      LEU  17  -4.951   1.112   1.112
  188   2HD2  LEU  17          HD21      LEU  17  -6.637   1.579   1.579
  189   3HD2  LEU  17          HD23      LEU  17  -5.344   2.688   2.688
  190    H    SER  18            HN      SER  18  -6.760   3.509   3.509
  191    HA   SER  18            HA      SER  18  -7.109   1.413   1.413
  192   1HB   SER  18           HB2      SER  18  -9.129   3.404   3.404
  193   2HB   SER  18           HB1      SER  18  -8.798   2.681   2.681
  194    HG   SER  18            HG      SER  18  -8.064   5.007   5.007
  195    H    PHE  19            HN      PHE  19  -9.183   0.195   0.195
  196    HA   PHE  19            HA      PHE  19 -10.866   0.167   0.167
  197   1HB   PHE  19           HB2      PHE  19 -10.088  -1.914  -1.914
  198   2HB   PHE  19           HB1      PHE  19  -8.895  -0.625  -0.625
  199    HD1  PHE  19           HD2      PHE  19  -9.839  -3.604  -3.604
  200    HD2  PHE  19           HD1      PHE  19  -6.698  -0.960  -0.960
  201    HE1  PHE  19           HE2      PHE  19  -8.157  -5.074  -5.074
  202    HE2  PHE  19           HE1      PHE  19  -5.021  -2.428  -2.428
  203    HZ   PHE  19            HZ      PHE  19  -5.751  -4.485  -4.485
  204    H    LYS  20            HN      LYS  20 -12.262  -1.835  -1.835
  205    HA   LYS  20            HA      LYS  20 -12.460  -2.943  -2.943
  206   1HB   LYS  20           HB2      LYS  20 -14.681  -2.560  -2.560
  207   2HB   LYS  20           HB1      LYS  20 -14.862  -3.047  -3.047
  208   1HG   LYS  20           HG2      LYS  20 -13.365  -0.542  -0.542
  209   2HG   LYS  20           HG1      LYS  20 -15.027  -0.460  -0.460
  210   1HD   LYS  20           HD2      LYS  20 -15.794  -0.347  -0.347
  211   2HD   LYS  20           HD1      LYS  20 -14.956  -1.839  -1.839
  212   1HE   LYS  20           HE2      LYS  20 -12.837  -0.458  -0.458
  213   2HE   LYS  20           HE1      LYS  20 -13.849   0.979   0.979
  214   1HZ   LYS  20           HZ3      LYS  20 -14.172  -1.149  -1.149
  215   2HZ   LYS  20           HZ2      LYS  20 -13.484   0.382   0.382
  216   3HZ   LYS  20           HZ1      LYS  20 -15.127   0.245   0.245
  217    H    ARG  21            HN      ARG  21 -13.928  -5.015  -5.015
  218    HA   ARG  21            HA      ARG  21 -12.458  -6.985  -6.985
  219   1HB   ARG  21           HB2      ARG  21 -13.540  -7.274  -7.274
  220   2HB   ARG  21           HB1      ARG  21 -15.094  -7.324  -7.324
  221   1HG   ARG  21           HG2      ARG  21 -14.639  -9.364  -9.364
  222   2HG   ARG  21           HG1      ARG  21 -12.891  -9.119  -9.119
  223   1HD   ARG  21           HD2      ARG  21 -12.717  -9.958  -9.958
  224   2HD   ARG  21           HD1      ARG  21 -14.198  -9.166  -9.166
  225    HE   ARG  21            HE      ARG  21 -15.426 -11.106 -11.106
  226   1HH1  ARG  21          HH21      ARG  21 -14.414 -11.795 -11.795
  227   2HH1  ARG  21          HH22      ARG  21 -13.447 -13.204 -13.204
  228   1HH2  ARG  21          HH11      ARG  21 -13.192 -12.685 -12.685
  229   2HH2  ARG  21          HH12      ARG  21 -12.756 -13.708 -13.708
  230    H    GLY  22            HN      GLY  22 -12.761  -6.976  -6.976
  231   1HA   GLY  22           HA2      GLY  22 -14.232  -7.908  -7.908
  232   2HA   GLY  22           HA1      GLY  22 -15.578  -7.075  -7.075
  233    H    ASP  23            HN      ASP  23 -13.096  -4.911  -4.911
  234    HA   ASP  23            HA      ASP  23 -14.029  -3.400  -3.400
  235   1HB   ASP  23           HB2      ASP  23 -12.604  -2.937  -2.937
  236   2HB   ASP  23           HB1      ASP  23 -12.112  -1.924  -1.924
  237    H    ILE  24            HN      ILE  24 -13.063  -4.563  -4.563
  238    HA   ILE  24            HA      ILE  24 -10.274  -5.269  -5.269
  239    HB   ILE  24            HB      ILE  24 -11.839  -4.797  -4.797
  240   1HG1  ILE  24          HG12      ILE  24 -12.138  -6.996  -6.996
  241   2HG1  ILE  24          HG11      ILE  24 -13.411  -6.086  -6.086
  242   1HG2  ILE  24          HG23      ILE  24  -9.286  -5.521  -5.521
  243   2HG2  ILE  24          HG22      ILE  24 -10.024  -7.104  -7.104
  244   3HG2  ILE  24          HG21      ILE  24 -10.239  -6.201  -6.201
  245   1HD1  ILE  24          HD13      ILE  24 -12.301  -7.247  -7.247
  246   2HD1  ILE  24          HD12      ILE  24 -11.879  -8.455  -8.455
  247   3HD1  ILE  24          HD11      ILE  24 -13.571  -8.030  -8.030
  248    H    LEU  25            HN      LEU  25  -8.576  -4.038  -4.038
  249    HA   LEU  25            HA      LEU  25  -8.942  -1.173  -1.173
  250   1HB   LEU  25           HB2      LEU  25  -6.435  -2.701  -2.701
  251   2HB   LEU  25           HB1      LEU  25  -6.655  -0.952  -0.952
  252    HG   LEU  25            HG      LEU  25  -8.722  -1.615  -1.615
  253   1HD1  LEU  25          HD13      LEU  25  -6.931  -4.014  -4.014
  254   2HD1  LEU  25          HD12      LEU  25  -7.649  -3.516  -3.516
  255   3HD1  LEU  25          HD11      LEU  25  -8.685  -3.932  -3.932
  256   1HD2  LEU  25          HD21      LEU  25  -6.389  -0.394  -0.394
  257   2HD2  LEU  25          HD23      LEU  25  -7.440  -0.831  -0.831
  258   3HD2  LEU  25          HD22      LEU  25  -6.065  -1.853  -1.853
  259    H    LYS  26            HN      LYS  26  -7.161  -0.101  -0.101
  260    HA   LYS  26            HA      LYS  26  -6.878  -1.739  -1.739
  261   1HB   LYS  26           HB2      LYS  26  -8.034   0.572   0.572
  262   2HB   LYS  26           HB1      LYS  26  -6.424   1.243   1.243
  263   1HG   LYS  26           HG2      LYS  26  -5.820  -0.342  -0.342
  264   2HG   LYS  26           HG1      LYS  26  -7.537  -0.140  -0.140
  265   1HD   LYS  26           HD2      LYS  26  -6.981   2.417   2.417
  266   2HD   LYS  26           HD1      LYS  26  -5.353   1.905   1.905
  267   1HE   LYS  26           HE2      LYS  26  -6.168   2.403   2.403
  268   2HE   LYS  26           HE1      LYS  26  -6.678   0.719   0.719
  269   1HZ   LYS  26           HZ2      LYS  26  -8.399   2.948   2.948
  270   2HZ   LYS  26           HZ1      LYS  26  -8.419   2.395   2.395
  271   3HZ   LYS  26           HZ3      LYS  26  -8.846   1.345   1.345
  272    H    VAL  27            HN      VAL  27  -4.875  -2.764  -2.764
  273    HA   VAL  27            HA      VAL  27  -2.717  -1.813  -1.813
  274    HB   VAL  27            HB      VAL  27  -2.313  -3.618  -3.618
  275   1HG1  VAL  27          HG12      VAL  27  -0.417  -2.689  -2.689
  276   2HG1  VAL  27          HG11      VAL  27  -1.069  -3.764  -3.764
  277   3HG1  VAL  27          HG13      VAL  27  -0.461  -4.431  -4.431
  278   1HG2  VAL  27          HG23      VAL  27  -3.535  -4.227  -4.227
  279   2HG2  VAL  27          HG22      VAL  27  -4.198  -4.603  -4.603
  280   3HG2  VAL  27          HG21      VAL  27  -2.786  -5.474  -5.474
  281    H    LEU  28            HN      LEU  28  -1.799   0.041   0.041
  282    HA   LEU  28            HA      LEU  28  -1.425   1.352   1.352
  283   1HB   LEU  28           HB2      LEU  28  -0.982   1.972   1.972
  284   2HB   LEU  28           HB1      LEU  28   0.050   2.813   2.813
  285    HG   LEU  28            HG      LEU  28  -1.824   3.851   3.851
  286   1HD1  LEU  28          HD12      LEU  28  -3.313   1.784   1.784
  287   2HD1  LEU  28          HD11      LEU  28  -3.695   2.235   2.235
  288   3HD1  LEU  28          HD13      LEU  28  -4.134   3.306   3.306
  289   1HD2  LEU  28          HD21      LEU  28  -2.032   3.790   3.790
  290   2HD2  LEU  28          HD23      LEU  28  -1.257   5.008   5.008
  291   3HD2  LEU  28          HD22      LEU  28  -3.013   4.880   4.880
  292    H    ASN  29            HN      ASN  29   0.597  -0.040  -0.040
  293    HA   ASN  29            HA      ASN  29   2.749  -0.465  -0.465
  294   1HB   ASN  29           HB2      ASN  29   3.138   1.564   1.564
  295   2HB   ASN  29           HB1      ASN  29   3.349   0.389   0.389
  296   1HD2  ASN  29          HD22      ASN  29   6.581   1.164   1.164
  297   2HD2  ASN  29          HD21      ASN  29   5.331   2.226   2.226
  298    H    GLU  30            HN      GLU  30   3.033  -2.631  -2.631
  299    HA   GLU  30            HA      GLU  30   2.521  -4.292  -4.292
  300   1HB   GLU  30           HB2      GLU  30   1.837  -4.708  -4.708
  301   2HB   GLU  30           HB1      GLU  30   3.384  -5.552  -5.552
  302   1HG   GLU  30           HG2      GLU  30   2.657  -6.966  -6.966
  303   2HG   GLU  30           HG1      GLU  30   1.203  -6.001  -6.001
  304    H    GLU  31            HN      GLU  31   4.192  -6.183  -6.183
  305    HA   GLU  31            HA      GLU  31   6.415  -6.849  -6.849
  306   1HB   GLU  31           HB2      GLU  31   7.297  -4.760  -4.760
  307   2HB   GLU  31           HB1      GLU  31   8.132  -6.242  -6.242
  308   1HG   GLU  31           HG2      GLU  31   5.747  -7.255  -7.255
  309   2HG   GLU  31           HG1      GLU  31   5.905  -5.848  -5.848
  310    H    CYS  32            HN      CYS  32   8.716  -5.481  -5.481
  311    HA   CYS  32            HA      CYS  32   9.853  -4.302  -4.302
  312   1HB   CYS  32           HB2      CYS  32   9.729  -1.934  -1.934
  313   2HB   CYS  32           HB1      CYS  32   9.407  -2.604  -2.604
  314    HG   CYS  32            HG      CYS  32   7.569  -0.756  -0.756
  315    H    ASP  33            HN      ASP  33   9.185  -2.318  -2.318
  316    HA   ASP  33            HA      ASP  33   8.356  -1.928  -1.928
  317   1HB   ASP  33           HB2      ASP  33   6.297  -1.581  -1.581
  318   2HB   ASP  33           HB1      ASP  33   5.973  -3.279  -3.279
  319    H    GLN  34            HN      GLN  34   7.631  -3.051  -3.051
  320    HA   GLN  34            HA      GLN  34   8.860  -5.685  -5.685
  321   1HB   GLN  34           HB2      GLN  34   7.764  -3.951  -3.951
  322   2HB   GLN  34           HB1      GLN  34   8.582  -5.494  -5.494
  323   1HG   GLN  34           HG2      GLN  34  10.638  -4.661  -4.661
  324   2HG   GLN  34           HG1      GLN  34   9.853  -3.215  -3.215
  325   1HE2  GLN  34          HE22      GLN  34  11.447  -2.935  -2.935
  326   2HE2  GLN  34          HE21      GLN  34  11.927  -4.012  -4.012
  327    H    ASN  35            HN      ASN  35   6.815  -6.268  -6.268
  328    HA   ASN  35            HA      ASN  35   5.032  -7.723  -7.723
  329   1HB   ASN  35           HB2      ASN  35   5.619  -7.972  -7.972
  330   2HB   ASN  35           HB1      ASN  35   4.059  -8.527  -8.527
  331   1HD2  ASN  35          HD22      ASN  35   7.415 -10.600 -10.600
  332   2HD2  ASN  35          HD21      ASN  35   7.519  -9.136  -9.136
  333    H    TRP  36            HN      TRP  36   4.567  -4.922  -4.922
  334    HA   TRP  36            HA      TRP  36   1.654  -4.993  -4.993
  335   1HB   TRP  36           HB2      TRP  36   3.329  -2.487  -2.487
  336   2HB   TRP  36           HB1      TRP  36   1.595  -2.662  -2.662
  337    HD1  TRP  36           HD1      TRP  36   4.633  -4.790  -4.790
  338    HE1  TRP  36           HE1      TRP  36   4.484  -5.182  -5.182
  339    HE3  TRP  36           HE3      TRP  36   0.406  -2.093  -2.093
  340    HZ2  TRP  36           HZ2      TRP  36   2.878  -4.452  -4.452
  341    HZ3  TRP  36           HZ3      TRP  36  -0.346  -1.927  -1.927
  342    HH2  TRP  36           HH2      TRP  36   0.872  -3.102  -3.102
  343    H    TYR  37            HN      TYR  37   0.416  -4.236  -4.236
  344    HA   TYR  37            HA      TYR  37   1.856  -3.360  -3.360
  345   1HB   TYR  37           HB2      TYR  37  -1.064  -4.048  -4.048
  346   2HB   TYR  37           HB1      TYR  37  -0.420  -3.490  -3.490
  347    HD1  TYR  37           HD2      TYR  37   2.026  -4.912  -4.912
  348    HD2  TYR  37           HD1      TYR  37  -1.596  -6.263  -6.263
  349    HE1  TYR  37           HE2      TYR  37   2.572  -7.254  -7.254
  350    HE2  TYR  37           HE1      TYR  37  -1.072  -8.590  -8.590
  351    HH   TYR  37            HH      TYR  37   0.714  -9.967  -9.967
  352    H    LYS  38            HN      LYS  38   1.745  -1.292  -1.292
  353    HA   LYS  38            HA      LYS  38   0.366   0.804   0.804
  354   1HB   LYS  38           HB2      LYS  38   2.498   1.225   1.225
  355   2HB   LYS  38           HB1      LYS  38   1.603   0.921   0.921
  356   1HG   LYS  38           HG2      LYS  38  -0.045   2.732   2.732
  357   2HG   LYS  38           HG1      LYS  38   1.441   3.243   3.243
  358   1HD   LYS  38           HD2      LYS  38   2.004   2.710   2.710
  359   2HD   LYS  38           HD1      LYS  38   0.626   3.806   3.806
  360   1HE   LYS  38           HE2      LYS  38   2.118   5.040   5.040
  361   2HE   LYS  38           HE1      LYS  38   3.440   4.208   4.208
  362   1HZ   LYS  38           HZ2      LYS  38   1.404   5.876   5.876
  363   2HZ   LYS  38           HZ1      LYS  38   2.943   6.433   6.433
  364   3HZ   LYS  38           HZ3      LYS  38   2.798   5.192   5.192
  365    H    ALA  39            HN      ALA  39  -1.660   1.794   1.794
  366    HA   ALA  39            HA      ALA  39  -2.868   0.961   0.961
  367   1HB   ALA  39           HB2      ALA  39  -3.848  -0.371  -0.371
  368   2HB   ALA  39           HB1      ALA  39  -4.667  -0.458  -0.458
  369   3HB   ALA  39           HB3      ALA  39  -3.061  -1.172  -1.172
  370    H    GLU  40            HN      GLU  40  -5.412   1.194   1.194
  371    HA   GLU  40            HA      GLU  40  -5.977   3.524   3.524
  372   1HB   GLU  40           HB2      GLU  40  -5.640   5.076   5.076
  373   2HB   GLU  40           HB1      GLU  40  -4.831   3.833   3.833
  374   1HG   GLU  40           HG2      GLU  40  -6.926   3.357   3.357
  375   2HG   GLU  40           HG1      GLU  40  -7.806   4.484   4.484
  376    H    LEU  41            HN      LEU  41  -7.933   3.647   3.647
  377    HA   LEU  41            HA      LEU  41  -9.942   1.876   1.876
  378   1HB   LEU  41           HB2      LEU  41  -9.503   2.817   2.817
  379   2HB   LEU  41           HB1      LEU  41 -11.174   2.545   2.545
  380    HG   LEU  41            HG      LEU  41  -9.071   0.533   0.533
  381   1HD1  LEU  41          HD13      LEU  41 -10.358   1.096   1.096
  382   2HD1  LEU  41          HD12      LEU  41 -10.027  -0.577  -0.577
  383   3HD1  LEU  41          HD11      LEU  41  -8.707   0.587   0.587
  384   1HD2  LEU  41          HD23      LEU  41 -11.404   0.549   0.549
  385   2HD2  LEU  41          HD22      LEU  41 -10.970  -0.935  -0.935
  386   3HD2  LEU  41          HD21      LEU  41 -12.005   0.266   0.266
  387    H    ASN  42            HN      ASN  42 -10.712   2.945   2.945
  388    HA   ASN  42            HA      ASN  42 -11.864   4.598   4.598
  389   1HB   ASN  42           HB2      ASN  42 -13.271   3.994   3.994
  390   2HB   ASN  42           HB1      ASN  42 -13.873   5.353   5.353
  391   1HD2  ASN  42          HD22      ASN  42 -14.929   1.707   1.707
  392   2HD2  ASN  42          HD21      ASN  42 -14.433   2.142   2.142
  393    H    GLY  43            HN      GLY  43  -9.705   5.800   5.800
  394   1HA   GLY  43           HA2      GLY  43  -9.701   8.429   8.429
  395   2HA   GLY  43           HA1      GLY  43 -10.906   8.401   8.401
  396    H    LYS  44            HN      LYS  44  -9.623   6.372   6.372
  397    HA   LYS  44            HA      LYS  44  -7.537   7.997   7.997
  398   1HB   LYS  44           HB2      LYS  44  -9.185   5.660   5.660
  399   2HB   LYS  44           HB1      LYS  44  -7.602   5.922   5.922
  400   1HG   LYS  44           HG2      LYS  44  -8.212   7.830   7.830
  401   2HG   LYS  44           HG1      LYS  44  -9.295   8.326   8.326
  402   1HD   LYS  44           HD2      LYS  44  -9.918   6.028   6.028
  403   2HD   LYS  44           HD1      LYS  44 -10.460   7.683   7.683
  404   1HE   LYS  44           HE2      LYS  44 -10.976   6.498   6.498
  405   2HE   LYS  44           HE1      LYS  44 -11.977   5.955   5.955
  406   1HZ   LYS  44           HZ1      LYS  44 -12.408   8.329   8.329
  407   2HZ   LYS  44           HZ3      LYS  44 -11.590   8.746   8.746
  408   3HZ   LYS  44           HZ2      LYS  44 -13.019   7.830   7.830
  409    H    ASP  45            HN      ASP  45  -5.681   6.608   6.608
  410    HA   ASP  45            HA      ASP  45  -4.932   4.389   4.389
  411   1HB   ASP  45           HB2      ASP  45  -3.626   5.298   5.298
  412   2HB   ASP  45           HB1      ASP  45  -4.775   6.601   6.601
  413    H    GLY  46            HN      GLY  46  -2.383   4.057   4.057
  414   1HA   GLY  46           HA2      GLY  46  -0.479   4.716   4.716
  415   2HA   GLY  46           HA1      GLY  46  -1.643   4.574   4.574
  416    H    PHE  47            HN      PHE  47   0.517   3.075   3.075
  417    HA   PHE  47            HA      PHE  47   0.526   0.482   0.482
  418   1HB   PHE  47           HB2      PHE  47   1.725   1.489   1.489
  419   2HB   PHE  47           HB1      PHE  47   2.024  -0.120  -0.120
  420    HD1  PHE  47           HD1      PHE  47   2.594  -0.049  -0.049
  421    HD2  PHE  47           HD2      PHE  47   3.323   3.097   3.097
  422    HE1  PHE  47           HE1      PHE  47   4.346   0.886   0.886
  423    HE2  PHE  47           HE2      PHE  47   5.074   4.031   4.031
  424    HZ   PHE  47            HZ      PHE  47   5.586   2.925   2.925
  425    H    ILE  48            HN      ILE  48  -0.115  -1.567  -1.567
  426    HA   ILE  48            HA      ILE  48  -1.849  -1.501  -1.501
  427    HB   ILE  48            HB      ILE  48  -3.462  -3.047  -3.047
  428   1HG1  ILE  48          HG12      ILE  48  -2.529  -1.838  -1.838
  429   2HG1  ILE  48          HG11      ILE  48  -1.572  -3.173  -3.173
  430   1HG2  ILE  48          HG22      ILE  48  -3.521  -0.388  -0.388
  431   2HG2  ILE  48          HG21      ILE  48  -3.481  -0.433  -0.433
  432   3HG2  ILE  48          HG23      ILE  48  -4.779  -1.248  -1.248
  433   1HD1  ILE  48          HD12      ILE  48  -4.487  -3.623  -3.623
  434   2HD1  ILE  48          HD11      ILE  48  -3.832  -3.470  -3.470
  435   3HD1  ILE  48          HD13      ILE  48  -3.198  -4.701  -4.701
  436    HA   PRO  49            HA      PRO  49   0.666  -5.080  -5.080
  437   1HB   PRO  49           HB2      PRO  49  -0.772  -6.290  -6.290
  438   2HB   PRO  49           HB1      PRO  49   0.341  -4.932  -4.932
  439   1HG   PRO  49           HG2      PRO  49  -2.662  -4.929  -4.929
  440   2HG   PRO  49           HG1      PRO  49  -1.565  -3.839  -3.839
  441   1HD   PRO  49           HD2      PRO  49  -2.860  -3.193  -3.193
  442   2HD   PRO  49           HD1      PRO  49  -1.466  -2.358  -2.358
  443    H    LYS  50            HN      LYS  50   0.634  -6.531  -6.531
  444    HA   LYS  50            HA      LYS  50  -1.430  -7.707  -7.707
  445   1HB   LYS  50           HB2      LYS  50   1.364  -8.364  -8.364
  446   2HB   LYS  50           HB1      LYS  50   0.402  -9.774  -9.774
  447   1HG   LYS  50           HG2      LYS  50  -0.277  -8.820  -8.820
  448   2HG   LYS  50           HG1      LYS  50   0.355  -7.232  -7.232
  449   1HD   LYS  50           HD2      LYS  50   2.457  -9.233  -9.233
  450   2HD   LYS  50           HD1      LYS  50   1.748  -9.275  -9.275
  451   1HE   LYS  50           HE2      LYS  50   1.982  -6.674  -6.674
  452   2HE   LYS  50           HE1      LYS  50   3.143  -7.018  -7.018
  453   1HZ   LYS  50           HZ3      LYS  50   3.317  -8.455  -8.455
  454   2HZ   LYS  50           HZ2      LYS  50   3.937  -6.877  -6.877
  455   3HZ   LYS  50           HZ1      LYS  50   4.541  -8.108  -8.108
  456    H    ASN  51            HN      ASN  51  -0.606  -8.587  -8.587
  457    HA   ASN  51            HA      ASN  51  -1.521 -11.177 -11.177
  458   1HB   ASN  51           HB2      ASN  51  -1.149  -9.037  -9.037
  459   2HB   ASN  51           HB1      ASN  51  -2.107 -10.379 -10.379
  460   1HD2  ASN  51          HD22      ASN  51   0.653 -12.566 -12.566
  461   2HD2  ASN  51          HD21      ASN  51  -1.031 -12.386 -12.386
  462    H    TYR  52            HN      TYR  52  -3.261  -8.193  -8.193
  463    HA   TYR  52            HA      TYR  52  -5.849  -9.607  -9.607
  464   1HB   TYR  52           HB2      TYR  52  -5.016  -6.721  -6.721
  465   2HB   TYR  52           HB1      TYR  52  -6.695  -7.184  -7.184
  466    HD1  TYR  52           HD2      TYR  52  -4.011  -9.091  -9.091
  467    HD2  TYR  52           HD1      TYR  52  -7.376  -6.487  -6.487
  468    HE1  TYR  52           HE2      TYR  52  -4.066  -9.377  -9.377
  469    HE2  TYR  52           HE1      TYR  52  -7.428  -6.752  -6.752
  470    HH   TYR  52            HH      TYR  52  -6.002  -7.397  -7.397
  471    H    ILE  53            HN      ILE  53  -4.214  -9.690  -9.690
  472    HA   ILE  53            HA      ILE  53  -6.166  -8.581  -8.581
  473    HB   ILE  53            HB      ILE  53  -3.520  -8.094  -8.094
  474   1HG1  ILE  53          HG12      ILE  53  -3.187  -7.531  -7.531
  475   2HG1  ILE  53          HG11      ILE  53  -2.791  -6.270  -6.270
  476   1HG2  ILE  53          HG22      ILE  53  -5.661  -7.351  -7.351
  477   2HG2  ILE  53          HG21      ILE  53  -5.834  -6.206  -6.206
  478   3HG2  ILE  53          HG23      ILE  53  -4.481  -6.059  -6.059
  479   1HD1  ILE  53          HD11      ILE  53  -5.544  -6.086  -6.086
  480   2HD1  ILE  53          HD13      ILE  53  -4.542  -6.136  -6.136
  481   3HD1  ILE  53          HD12      ILE  53  -4.249  -4.916  -4.916
  482    H    GLU  54            HN      GLU  54  -5.923  -9.301  -9.301
  483    HA   GLU  54            HA      GLU  54  -4.094 -11.433 -11.433
  484   1HB   GLU  54           HB2      GLU  54  -6.900 -11.885 -11.885
  485   2HB   GLU  54           HB1      GLU  54  -6.429 -12.364 -12.364
  486   1HG   GLU  54           HG2      GLU  54  -4.666 -13.184 -13.184
  487   2HG   GLU  54           HG1      GLU  54  -6.189 -14.048 -14.048
  488    H    MET  55            HN      MET  55  -3.879 -11.631 -11.631
  489    HA   MET  55            HA      MET  55  -4.724  -9.080  -9.080
  490   1HB   MET  55           HB2      MET  55  -2.933  -9.854  -9.854
  491   2HB   MET  55           HB1      MET  55  -2.425  -9.118  -9.118
  492   1HG   MET  55           HG2      MET  55  -1.822 -11.200 -11.200
  493   2HG   MET  55           HG1      MET  55  -2.722 -12.106 -12.106
  494   1HE   MET  55           HE1      MET  55  -0.274 -12.894 -12.894
  495   2HE   MET  55           HE3      MET  55   0.997 -12.993 -12.993
  496   3HE   MET  55           HE2      MET  55   1.001 -11.681 -11.681
  497    H    LYS  56            HN      LYS  56  -6.461  -9.183  -9.183
  498    HA   LYS  56            HA      LYS  56  -7.027 -11.610 -11.610
  499   1HB   LYS  56           HB2      LYS  56  -8.619  -9.407  -9.407
  500   2HB   LYS  56           HB1      LYS  56  -9.195 -10.175 -10.175
  501   1HG   LYS  56           HG2      LYS  56  -9.211 -12.343 -12.343
  502   2HG   LYS  56           HG1      LYS  56  -8.332 -11.727 -11.727
  503   1HD   LYS  56           HD2      LYS  56 -10.754 -12.014 -12.014
  504   2HD   LYS  56           HD1      LYS  56 -10.259 -10.328 -10.328
  505   1HE   LYS  56           HE2      LYS  56 -11.121  -9.874  -9.874
  506   2HE   LYS  56           HE1      LYS  56 -11.575 -11.570 -11.570
  507   1HZ   LYS  56           HZ3      LYS  56 -12.588 -10.096 -10.096
  508   2HZ   LYS  56           HZ2      LYS  56 -13.300  -9.801  -9.801
  509   3HZ   LYS  56           HZ1      LYS  56 -13.298 -11.371 -11.371
  510    HA   PRO  57            HA      PRO  57  -6.095  -9.708  -9.708
  511   1HB   PRO  57           HB2      PRO  57  -7.538 -11.238 -11.238
  512   2HB   PRO  57           HB1      PRO  57  -6.017 -11.755 -11.755
  513   1HG   PRO  57           HG2      PRO  57  -8.787 -12.555 -12.555
  514   2HG   PRO  57           HG1      PRO  57  -7.284 -13.425 -13.425
  515   1HD   PRO  57           HD2      PRO  57  -8.741 -12.037 -12.037
  516   2HD   PRO  57           HD1      PRO  57  -7.084 -12.655 -12.655
  517    H    HIS  58            HN      HIS  58  -7.626  -9.335  -9.335
  518    HA   HIS  58            HA      HIS  58 -10.076  -7.918  -7.918
  519   1HB   HIS  58           HB2      HIS  58  -9.537  -6.065  -6.065
  520   2HB   HIS  58           HB1      HIS  58  -8.344  -6.214  -6.214
  521    HD1  HIS  58           HD1      HIS  58  -8.839  -7.051  -7.051
  522    HD2  HIS  58           HD2      HIS  58  -5.751  -6.842  -6.842
  523    HE1  HIS  58           HE1      HIS  58  -6.681  -7.331  -7.331
  524    HA   PRO  59            HA      PRO  59 -11.671 -10.234 -10.234
  525   1HB   PRO  59           HB2      PRO  59 -14.214  -9.187  -9.187
  526   2HB   PRO  59           HB1      PRO  59 -13.677 -10.410 -10.410
  527   1HG   PRO  59           HG2      PRO  59 -14.173  -7.500  -7.500
  528   2HG   PRO  59           HG1      PRO  59 -14.227  -8.834  -8.834
  529   1HD   PRO  59           HD2      PRO  59 -12.100  -6.975  -6.975
  530   2HD   PRO  59           HD1      PRO  59 -12.053  -8.475  -8.475
  531    H    GLU  60            HN      GLU  60 -13.384  -7.113  -7.113
  532    HA   GLU  60            HA      GLU  60 -11.930  -6.548  -6.548
  533   1HB   GLU  60           HB2      GLU  60 -14.889  -6.749  -6.749
  534   2HB   GLU  60           HB1      GLU  60 -14.287  -5.606  -5.606
  535   1HG   GLU  60           HG2      GLU  60 -13.205  -8.392  -8.392
  536   2HG   GLU  60           HG1      GLU  60 -14.843  -8.129  -8.129
  537    H    PHE  61            HN      PHE  61 -12.699  -4.160  -4.160
  538    HA   PHE  61            HA      PHE  61 -11.762  -2.399  -2.399
  539   1HB   PHE  61           HB2      PHE  61 -12.917  -2.023  -2.023
  540   2HB   PHE  61           HB1      PHE  61 -12.746  -0.624  -0.624
  541    HD1  PHE  61           HD1      PHE  61 -10.478  -0.066  -0.066
  542    HD2  PHE  61           HD2      PHE  61 -11.025  -3.015  -3.015
  543    HE1  PHE  61           HE1      PHE  61  -8.060   0.048   0.048
  544    HE2  PHE  61           HE2      PHE  61  -8.607  -2.901  -2.901
  545    HZ   PHE  61            HZ      PHE  61  -7.125  -1.370  -1.370
  546    H    ILE  62            HN      ILE  62 -14.845  -1.765  -1.765
  547    HA   ILE  62            HA      ILE  62 -16.329  -1.929  -1.929
  548    HB   ILE  62            HB      ILE  62 -16.364   0.637   0.637
  549   1HG1  ILE  62          HG12      ILE  62 -14.881   0.053   0.053
  550   2HG1  ILE  62          HG11      ILE  62 -14.120   0.313   0.313
  551   1HG2  ILE  62          HG23      ILE  62 -18.309  -0.176  -0.176
  552   2HG2  ILE  62          HG22      ILE  62 -17.220   0.233   0.233
  553   3HG2  ILE  62          HG21      ILE  62 -17.729   1.480   1.480
  554   1HD1  ILE  62          HD13      ILE  62 -15.907   2.346   2.346
  555   2HD1  ILE  62          HD12      ILE  62 -14.146   2.363   2.363
  556   3HD1  ILE  62          HD11      ILE  62 -14.953   2.587   2.587
  557    H    VAL  63            HN      VAL  63 -17.682  -3.501  -3.501
  558    HA   VAL  63            HA      VAL  63 -19.679  -2.487  -2.487
  559    HB   VAL  63            HB      VAL  63 -17.899  -3.387  -3.387
  560   1HG1  VAL  63          HG13      VAL  63 -17.392  -5.188  -5.188
  561   2HG1  VAL  63          HG12      VAL  63 -18.410  -6.177  -6.177
  562   3HG1  VAL  63          HG11      VAL  63 -16.935  -5.451  -5.451
  563   1HG2  VAL  63          HG22      VAL  63 -20.535  -3.787  -3.787
  564   2HG2  VAL  63          HG21      VAL  63 -19.379  -4.444  -4.444
  565   3HG2  VAL  63          HG23      VAL  63 -20.033  -5.474  -5.474
  566    H    THR  64            HN      THR  64 -20.100  -3.060  -3.060
  567    HA   THR  64            HA      THR  64 -22.085  -5.193  -5.193
  568    HB   THR  64            HB      THR  64 -19.798  -5.537  -5.537
  569    HG1  THR  64           HG1      THR  64 -18.819  -6.472  -6.472
  570   1HG2  THR  64          HG22      THR  64 -22.390  -6.899  -6.899
  571   2HG2  THR  64          HG21      THR  64 -21.013  -7.924  -7.924
  572   3HG2  THR  64          HG23      THR  64 -21.535  -6.667  -6.667
  573    H    ASP  65            HN      ASP  65 -23.601  -3.680  -3.680
  574    HA   ASP  65            HA      ASP  65 -23.710  -3.163  -3.163
  575   1HB   ASP  65           HB2      ASP  65 -22.096  -1.377  -1.377
  576   2HB   ASP  65           HB1      ASP  65 -23.653  -0.588  -0.588
  577   1H    SER   1           HT3      SER   1  -5.706 -15.027 -15.027
  578   2H    SER   1           HT2      SER   1  -5.326 -15.981 -15.981
  579   3H    SER   1           HT1      SER   1  -4.605 -14.457 -14.457
  580    HA   SER   1            HA      SER   1  -3.043 -15.189 -15.189
  581   1HB   SER   1           HB2      SER   1  -3.952 -17.427 -17.427
  582   2HB   SER   1           HB1      SER   1  -3.036 -17.934 -17.934
  583    HG   SER   1            HG      SER   1  -1.920 -17.252 -17.252
  584    HA   PRO   2            HA      PRO   2  -5.107 -18.089 -18.089
  585   1HB   PRO   2           HB2      PRO   2  -7.670 -18.974 -18.974
  586   2HB   PRO   2           HB1      PRO   2  -6.224 -19.853 -19.853
  587   1HG   PRO   2           HG2      PRO   2  -8.152 -18.272 -18.272
  588   2HG   PRO   2           HG1      PRO   2  -7.104 -19.614 -19.614
  589   1HD   PRO   2           HD2      PRO   2  -6.623 -16.859 -16.859
  590   2HD   PRO   2           HD1      PRO   2  -5.457 -18.180 -18.180
  591    H    LEU   3            HN      LEU   3  -7.180 -15.777 -15.777
  592    HA   LEU   3            HA      LEU   3  -8.952 -15.119 -15.119
  593   1HB   LEU   3           HB2      LEU   3  -8.328 -14.115 -14.115
  594   2HB   LEU   3           HB1      LEU   3  -8.364 -12.751 -12.751
  595    HG   LEU   3            HG      LEU   3 -10.550 -14.775 -14.775
  596   1HD1  LEU   3          HD11      LEU   3 -10.231 -14.266 -14.266
  597   2HD1  LEU   3          HD13      LEU   3 -10.579 -12.580 -12.580
  598   3HD1  LEU   3          HD12      LEU   3 -11.807 -13.816 -13.816
  599   1HD2  LEU   3          HD21      LEU   3 -10.350 -11.755 -11.755
  600   2HD2  LEU   3          HD23      LEU   3 -10.461 -12.907 -12.907
  601   3HD2  LEU   3          HD22      LEU   3 -11.834 -12.677 -12.677
  602    H    LEU   4            HN      LEU   4  -8.554 -12.329 -12.329
  603    HA   LEU   4            HA      LEU   4  -6.861 -12.264 -12.264
  604   1HB   LEU   4           HB2      LEU   4  -7.761 -10.043 -10.043
  605   2HB   LEU   4           HB1      LEU   4  -6.859  -9.742  -9.742
  606    HG   LEU   4            HG      LEU   4  -9.239 -11.523 -11.523
  607   1HD1  LEU   4          HD12      LEU   4  -9.327  -8.688  -8.688
  608   2HD1  LEU   4          HD11      LEU   4 -10.442  -9.134  -9.134
  609   3HD1  LEU   4          HD13      LEU   4 -10.495  -9.986  -9.986
  610   1HD2  LEU   4          HD23      LEU   4  -7.706 -10.838 -10.838
  611   2HD2  LEU   4          HD22      LEU   4  -9.412 -10.473 -10.473
  612   3HD2  LEU   4          HD21      LEU   4  -8.297  -9.190  -9.190
  613    HA   PRO   5            HA      PRO   5  -3.003 -12.307 -12.307
  614   1HB   PRO   5           HB2      PRO   5  -1.382 -13.131 -13.131
  615   2HB   PRO   5           HB1      PRO   5  -2.371 -14.232 -14.232
  616   1HG   PRO   5           HG2      PRO   5  -2.787 -13.324 -13.324
  617   2HG   PRO   5           HG1      PRO   5  -3.378 -14.789 -14.789
  618   1HD   PRO   5           HD2      PRO   5  -4.874 -12.414 -12.414
  619   2HD   PRO   5           HD1      PRO   5  -5.388 -13.800 -13.800
  620    H    LYS   6            HN      LYS   6  -4.031  -9.837  -9.837
  621    HA   LYS   6            HA      LYS   6  -3.215  -7.857  -7.857
  622   1HB   LYS   6           HB2      LYS   6  -1.454  -6.808  -6.808
  623   2HB   LYS   6           HB1      LYS   6  -2.684  -7.583  -7.583
  624   1HG   LYS   6           HG2      LYS   6  -1.261  -9.444  -9.444
  625   2HG   LYS   6           HG1      LYS   6  -0.104  -8.965  -8.965
  626   1HD   LYS   6           HD2      LYS   6   0.848  -7.348  -7.348
  627   2HD   LYS   6           HD1      LYS   6  -0.681  -6.939  -6.939
  628   1HE   LYS   6           HE2      LYS   6   0.970  -9.425  -9.425
  629   2HE   LYS   6           HE1      LYS   6   0.862  -8.010  -8.010
  630   1HZ   LYS   6           HZ2      LYS   6  -1.682  -8.493  -8.493
  631   2HZ   LYS   6           HZ1      LYS   6  -1.151 -10.067 -10.067
  632   3HZ   LYS   6           HZ3      LYS   6  -0.728  -9.347  -9.347
  633    H    LEU   7            HN      LEU   7   0.012  -7.493  -7.493
  634    HA   LEU   7            HA      LEU   7   0.539  -8.856  -8.856
  635   1HB   LEU   7           HB2      LEU   7   0.956  -6.096  -6.096
  636   2HB   LEU   7           HB1      LEU   7   2.318  -6.788  -6.788
  637    HG   LEU   7            HG      LEU   7   0.687  -5.603  -5.603
  638   1HD1  LEU   7          HD13      LEU   7   2.105  -7.791  -7.791
  639   2HD1  LEU   7          HD12      LEU   7   0.499  -8.487  -8.487
  640   3HD1  LEU   7          HD11      LEU   7   1.003  -7.110  -7.110
  641   1HD2  LEU   7          HD22      LEU   7  -1.269  -6.732  -6.732
  642   2HD2  LEU   7          HD21      LEU   7  -1.542  -6.133  -6.133
  643   3HD2  LEU   7          HD23      LEU   7  -1.248  -7.852  -7.852
  644    HA   PRO   8            HA      PRO   8   3.799 -10.368 -10.368
  645   1HB   PRO   8           HB2      PRO   8   3.275 -13.045 -13.045
  646   2HB   PRO   8           HB1      PRO   8   2.434 -12.006 -12.006
  647   1HG   PRO   8           HG2      PRO   8   1.385 -13.225 -13.225
  648   2HG   PRO   8           HG1      PRO   8   0.497 -12.569 -12.569
  649   1HD   PRO   8           HD2      PRO   8   1.004 -11.285 -11.285
  650   2HD   PRO   8           HD1      PRO   8   0.109 -10.646 -10.646
  651    HA   PRO   9            HA      PRO   9   6.518 -11.805 -11.805
  652   1HB   PRO   9           HB2      PRO   9   8.194 -13.544 -13.544
  653   2HB   PRO   9           HB1      PRO   9   8.283 -11.784 -11.784
  654   1HG   PRO   9           HG2      PRO   9   7.224 -13.812 -13.812
  655   2HG   PRO   9           HG1      PRO   9   7.883 -12.200 -12.200
  656   1HD   PRO   9           HD2      PRO   9   5.132 -12.898 -12.898
  657   2HD   PRO   9           HD1      PRO   9   5.796 -11.251 -11.251
  658    H    LYS  10            HN      LYS  10   7.701 -14.345 -14.345
  659    HA   LYS  10            HA      LYS  10   5.572 -16.378 -16.378
  660   1HB   LYS  10           HB2      LYS  10   5.214 -14.940 -14.940
  661   2HB   LYS  10           HB1      LYS  10   6.667 -15.730 -15.730
  662   1HG   LYS  10           HG2      LYS  10   4.845 -17.067 -17.067
  663   2HG   LYS  10           HG1      LYS  10   5.540 -17.949 -17.949
  664   1HD   LYS  10           HD2      LYS  10   3.765 -16.486 -16.486
  665   2HD   LYS  10           HD1      LYS  10   2.936 -16.496 -16.496
  666   1HE   LYS  10           HE2      LYS  10   2.156 -18.547 -18.547
  667   2HE   LYS  10           HE1      LYS  10   3.809 -19.151 -19.151
  668   1HZ   LYS  10           HZ1      LYS  10   2.709 -17.895 -17.895
  669   2HZ   LYS  10           HZ3      LYS  10   2.637 -19.564 -19.564
  670   3HZ   LYS  10           HZ2      LYS  10   4.144 -18.790 -18.790
  671    H    THR  11            HN      THR  11   6.363 -18.514 -18.514
  672    HA   THR  11            HA      THR  11   9.309 -18.723 -18.723
  673    HB   THR  11            HB      THR  11   7.689 -20.168 -20.168
  674    HG1  THR  11           HG1      THR  11   9.827 -18.326 -18.326
  675   1HG2  THR  11          HG22      THR  11   9.980 -21.068 -21.068
  676   2HG2  THR  11          HG21      THR  11  10.590 -20.375 -20.375
  677   3HG2  THR  11          HG23      THR  11   9.378 -21.655 -21.655
  678    H    TYR  12            HN      TYR  12   7.091 -21.409 -21.409
  679    HA   TYR  12            HA      TYR  12   6.728 -22.152 -22.152
  680   1HB   TYR  12           HB2      TYR  12   8.780 -23.511 -23.511
  681   2HB   TYR  12           HB1      TYR  12   7.920 -24.437 -24.437
  682    HD1  TYR  12           HD2      TYR  12   7.649 -22.870 -22.870
  683    HD2  TYR  12           HD1      TYR  12  10.877 -22.799 -22.799
  684    HE1  TYR  12           HE2      TYR  12   9.158 -21.955 -21.955
  685    HE2  TYR  12           HE1      TYR  12  12.385 -21.883 -21.883
  686    HH   TYR  12            HH      TYR  12  12.188 -20.610 -20.610
  687    H    LYS  13            HN      LYS  13   4.617 -21.787 -21.787
  688    HA   LYS  13            HA      LYS  13   3.813 -24.456 -24.456
  689   1HB   LYS  13           HB2      LYS  13   3.220 -21.669 -21.669
  690   2HB   LYS  13           HB1      LYS  13   2.082 -22.976 -22.976
  691   1HG   LYS  13           HG2      LYS  13   4.385 -24.203 -24.203
  692   2HG   LYS  13           HG1      LYS  13   4.817 -22.533 -22.533
  693   1HD   LYS  13           HD2      LYS  13   2.376 -22.556 -22.556
  694   2HD   LYS  13           HD1      LYS  13   2.744 -24.276 -24.276
  695   1HE   LYS  13           HE2      LYS  13   4.664 -22.117 -22.117
  696   2HE   LYS  13           HE1      LYS  13   3.458 -22.825 -22.825
  697   1HZ   LYS  13           HZ2      LYS  13   5.394 -24.464 -24.464
  698   2HZ   LYS  13           HZ1      LYS  13   5.723 -23.883 -23.883
  699   3HZ   LYS  13           HZ3      LYS  13   4.423 -24.943 -24.943
  700    H    ARG  14            HN      ARG  14   2.088 -21.464 -21.464
  701    HA   ARG  14            HA      ARG  14   0.481 -23.149 -23.149
  702   1HB   ARG  14           HB2      ARG  14  -0.432 -21.741 -21.741
  703   2HB   ARG  14           HB1      ARG  14  -0.939 -20.770 -20.770
  704   1HG   ARG  14           HG2      ARG  14  -2.708 -22.222 -22.222
  705   2HG   ARG  14           HG1      ARG  14  -1.578 -23.250 -23.250
  706   1HD   ARG  14           HD2      ARG  14  -0.830 -24.030 -24.030
  707   2HD   ARG  14           HD1      ARG  14  -2.397 -23.392 -23.392
  708    HE   ARG  14            HE      ARG  14  -1.987 -25.672 -25.672
  709   1HH1  ARG  14          HH21      ARG  14  -4.246 -25.652 -25.652
  710   2HH1  ARG  14          HH22      ARG  14  -5.540 -25.741 -25.741
  711   1HH2  ARG  14          HH11      ARG  14  -3.550 -24.889 -24.889
  712   2HH2  ARG  14          HH12      ARG  14  -5.146 -25.309 -25.309
  713    H    GLU  15            HN      GLU  15  -0.511 -21.820 -21.820
  714    HA   GLU  15            HA      GLU  15   1.053 -19.369 -19.369
  715   1HB   GLU  15           HB2      GLU  15   0.961 -21.941 -21.941
  716   2HB   GLU  15           HB1      GLU  15   1.044 -20.424 -20.424
  717   1HG   GLU  15           HG2      GLU  15   3.290 -20.573 -20.573
  718   2HG   GLU  15           HG1      GLU  15   2.949 -20.032 -20.032

  Start of MODEL    4
    1   1H    GLY  -8           HT1      GLY  -8  12.990  -6.616  -6.616
    2   2H    GLY  -8           HT3      GLY  -8  12.763  -6.148  -6.148
    3   3H    GLY  -8           HT2      GLY  -8  11.827  -7.401  -7.401
    4   1HA   GLY  -8           HA1      GLY  -8  10.975  -5.607  -5.607
    5   2HA   GLY  -8           HA2      GLY  -8  10.283  -5.564  -5.564
    6    H    SER  -7            HN      SER  -7  10.030  -3.261  -3.261
    7    HA   SER  -7            HA      SER  -7  12.254  -1.550  -1.550
    8   1HB   SER  -7           HB2      SER  -7  10.614  -2.574  -2.574
    9   2HB   SER  -7           HB1      SER  -7  10.321  -0.844  -0.844
   10    HG   SER  -7            HG      SER  -7  12.525  -2.191  -2.191
   11    H    ARG  -6            HN      ARG  -6  11.717  -0.382  -0.382
   12    HA   ARG  -6            HA      ARG  -6   9.003   0.499   0.499
   13   1HB   ARG  -6           HB2      ARG  -6  11.701   0.891   0.891
   14   2HB   ARG  -6           HB1      ARG  -6  10.495   2.134   2.134
   15   1HG   ARG  -6           HG2      ARG  -6   9.690  -0.737  -0.737
   16   2HG   ARG  -6           HG1      ARG  -6  10.681  -0.019  -0.019
   17   1HD   ARG  -6           HD2      ARG  -6   8.667   0.649   0.649
   18   2HD   ARG  -6           HD1      ARG  -6   8.830   1.946   1.946
   19    HE   ARG  -6            HE      ARG  -6   7.399   0.580   0.580
   20   1HH1  ARG  -6          HH11      ARG  -6   7.735  -1.966  -1.966
   21   2HH1  ARG  -6          HH12      ARG  -6   6.176  -2.068  -2.068
   22   1HH2  ARG  -6          HH21      ARG  -6   5.310   1.207   1.207
   23   2HH2  ARG  -6          HH22      ARG  -6   4.805  -0.270  -0.270
   24    H    ARG  -5            HN      ARG  -5   8.099   1.881   1.881
   25    HA   ARG  -5            HA      ARG  -5   9.590   4.402   4.402
   26   1HB   ARG  -5           HB2      ARG  -5   8.466   2.422   2.422
   27   2HB   ARG  -5           HB1      ARG  -5   8.202   4.124   4.124
   28   1HG   ARG  -5           HG2      ARG  -5  10.817   4.216   4.216
   29   2HG   ARG  -5           HG1      ARG  -5  10.733   2.572   2.572
   30   1HD   ARG  -5           HD2      ARG  -5   9.318   3.916   3.916
   31   2HD   ARG  -5           HD1      ARG  -5  10.478   5.153   5.153
   32    HE   ARG  -5            HE      ARG  -5  12.284   3.532   3.532
   33   1HH1  ARG  -5          HH21      ARG  -5  10.778   1.002   1.002
   34   2HH1  ARG  -5          HH22      ARG  -5  10.488   0.785   0.785
   35   1HH2  ARG  -5          HH11      ARG  -5  11.175   4.086   4.086
   36   2HH2  ARG  -5          HH12      ARG  -5  10.714   2.530   2.530
   37    H    ALA  -4            HN      ALA  -4   6.398   3.067   3.067
   38    HA   ALA  -4            HA      ALA  -4   4.973   4.820   4.820
   39   1HB   ALA  -4           HB3      ALA  -4   5.007   5.465   5.465
   40   2HB   ALA  -4           HB2      ALA  -4   3.827   6.118   6.118
   41   3HB   ALA  -4           HB1      ALA  -4   5.537   6.511   6.511
   42    H    SER  -3            HN      SER  -3   4.235   2.561   2.561
   43    HA   SER  -3            HA      SER  -3   2.380   1.493   1.493
   44   1HB   SER  -3           HB2      SER  -3   2.289  -0.441  -0.441
   45   2HB   SER  -3           HB1      SER  -3   3.715  -0.276  -0.276
   46    HG   SER  -3            HG      SER  -3   4.124  -0.500  -0.500
   47    H    VAL  -2            HN      VAL  -2   0.402   0.315   0.315
   48    HA   VAL  -2            HA      VAL  -2  -0.642   1.808   1.808
   49    HB   VAL  -2            HB      VAL  -2  -1.035   3.447   3.447
   50   1HG1  VAL  -2          HG13      VAL  -2  -1.294   1.380   1.380
   51   2HG1  VAL  -2          HG12      VAL  -2  -3.003   1.628   1.628
   52   3HG1  VAL  -2          HG11      VAL  -2  -2.048   2.940   2.940
   53   1HG2  VAL  -2          HG23      VAL  -2  -3.503   2.027   2.027
   54   2HG2  VAL  -2          HG22      VAL  -2  -2.684   3.411   3.411
   55   3HG2  VAL  -2          HG21      VAL  -2  -3.547   3.596   3.596
   56    H    GLY  -1            HN      GLY  -1  -1.678   0.229   0.229
   57   1HA   GLY  -1           HA2      GLY  -1  -3.914  -1.200  -1.200
   58   2HA   GLY  -1           HA1      GLY  -1  -2.632  -2.187  -2.187
   59    H    SER   0            HN      SER   0  -4.199  -1.238  -1.238
   60    HA   SER   0            HA      SER   0  -2.232  -2.844  -2.844
   61   1HB   SER   0           HB2      SER   0  -4.165  -0.679  -0.679
   62   2HB   SER   0           HB1      SER   0  -3.221  -1.656  -1.656
   63    HG   SER   0            HG      SER   0  -2.483   0.519   0.519
   64    H    MET   1            HN      MET   1  -3.383  -3.915  -3.915
   65    HA   MET   1            HA      MET   1  -5.955  -5.124  -5.124
   66   1HB   MET   1           HB2      MET   1  -3.470  -6.353  -6.353
   67   2HB   MET   1           HB1      MET   1  -5.010  -7.078  -7.078
   68   1HG   MET   1           HG2      MET   1  -5.510  -7.741  -7.741
   69   2HG   MET   1           HG1      MET   1  -4.642  -6.399  -6.399
   70   1HE   MET   1           HE1      MET   1  -2.370  -5.965  -5.965
   71   2HE   MET   1           HE3      MET   1  -1.076  -7.129  -7.129
   72   3HE   MET   1           HE2      MET   1  -1.635  -6.861  -6.861
   73    H    GLU   2            HN      GLU   2  -6.691  -6.508  -6.508
   74    HA   GLU   2            HA      GLU   2  -6.863  -4.342  -4.342
   75   1HB   GLU   2           HB2      GLU   2  -8.915  -5.494  -5.494
   76   2HB   GLU   2           HB1      GLU   2  -9.056  -6.251  -6.251
   77   1HG   GLU   2           HG2      GLU   2  -9.417  -4.202  -4.202
   78   2HG   GLU   2           HG1      GLU   2  -8.709  -3.274  -3.274
   79    H    ALA   3            HN      ALA   3  -7.716  -5.501  -5.501
   80    HA   ALA   3            HA      ALA   3  -6.684  -8.188  -8.188
   81   1HB   ALA   3           HB3      ALA   3  -5.409  -5.797  -5.797
   82   2HB   ALA   3           HB2      ALA   3  -5.201  -7.439  -7.439
   83   3HB   ALA   3           HB1      ALA   3  -4.661  -7.021  -7.021
   84    H    ILE   4            HN      ILE   4  -8.279  -9.057  -9.057
   85    HA   ILE   4            HA      ILE   4 -10.336  -7.776  -7.776
   86    HB   ILE   4            HB      ILE   4 -10.661  -9.931  -9.931
   87   1HG1  ILE   4          HG12      ILE   4 -10.701 -10.912 -10.912
   88   2HG1  ILE   4          HG11      ILE   4 -11.366  -9.285  -9.285
   89   1HG2  ILE   4          HG22      ILE   4  -8.141 -10.506 -10.506
   90   2HG2  ILE   4          HG21      ILE   4  -9.339 -11.787 -11.787
   91   3HG2  ILE   4          HG23      ILE   4  -8.857 -11.258 -11.258
   92   1HD1  ILE   4          HD11      ILE   4 -12.150 -11.595 -11.595
   93   2HD1  ILE   4          HD13      ILE   4 -13.044 -11.084 -11.084
   94   3HD1  ILE   4          HD12      ILE   4 -12.885  -9.993  -9.993
   95    H    ALA   5            HN      ALA   5 -10.382  -6.848  -6.848
   96    HA   ALA   5            HA      ALA   5  -8.259  -7.203  -7.203
   97   1HB   ALA   5           HB3      ALA   5 -10.890  -5.686  -5.686
   98   2HB   ALA   5           HB2      ALA   5  -9.821  -5.758  -5.758
   99   3HB   ALA   5           HB1      ALA   5  -9.259  -5.013  -5.013
  100    H    LYS   6            HN      LYS   6  -8.315  -9.195  -9.195
  101    HA   LYS   6            HA      LYS   6 -10.633 -10.821 -10.821
  102   1HB   LYS   6           HB2      LYS   6  -8.027 -10.880 -10.880
  103   2HB   LYS   6           HB1      LYS   6  -9.206 -12.190 -12.190
  104   1HG   LYS   6           HG2      LYS   6  -8.760 -12.600 -12.600
  105   2HG   LYS   6           HG1      LYS   6  -8.037 -11.012 -11.012
  106   1HD   LYS   6           HD2      LYS   6  -6.258 -12.646 -12.646
  107   2HD   LYS   6           HD1      LYS   6  -6.163 -11.700 -11.700
  108   1HE   LYS   6           HE2      LYS   6  -7.606 -13.537 -13.537
  109   2HE   LYS   6           HE1      LYS   6  -7.265 -14.496 -14.496
  110   1HZ   LYS   6           HZ2      LYS   6  -4.866 -14.085 -14.085
  111   2HZ   LYS   6           HZ1      LYS   6  -5.306 -13.400 -13.400
  112   3HZ   LYS   6           HZ3      LYS   6  -5.643 -15.032 -15.032
  113    H    TYR   7            HN      TYR   7  -9.270  -8.265  -8.265
  114    HA   TYR   7            HA      TYR   7 -11.606  -8.502  -8.502
  115   1HB   TYR   7           HB2      TYR   7  -8.832  -8.272  -8.272
  116   2HB   TYR   7           HB1      TYR   7 -10.343  -8.589  -8.589
  117    HD1  TYR   7           HD1      TYR   7  -7.897 -10.003 -10.003
  118    HD2  TYR   7           HD2      TYR   7 -11.175 -10.817 -10.817
  119    HE1  TYR   7           HE1      TYR   7  -7.476 -12.424 -12.424
  120    HE2  TYR   7           HE2      TYR   7 -10.770 -13.255 -13.255
  121    HH   TYR   7            HH      TYR   7  -7.991 -14.544 -14.544
  122    H    ASP   8            HN      ASP   8 -11.114  -6.694  -6.694
  123    HA   ASP   8            HA      ASP   8 -10.895  -4.219  -4.219
  124   1HB   ASP   8           HB2      ASP   8 -12.133  -3.194  -3.194
  125   2HB   ASP   8           HB1      ASP   8 -12.867  -4.776  -4.776
  126    H    PHE   9            HN      PHE   9  -9.806  -2.352  -2.352
  127    HA   PHE   9            HA      PHE   9  -7.915  -2.500  -2.500
  128   1HB   PHE   9           HB2      PHE   9  -7.037  -4.046  -4.046
  129   2HB   PHE   9           HB1      PHE   9  -6.116  -2.548  -2.548
  130    HD1  PHE   9           HD1      PHE   9  -7.419  -4.453  -4.453
  131    HD2  PHE   9           HD2      PHE   9  -3.980  -2.980  -2.980
  132    HE1  PHE   9           HE1      PHE   9  -5.951  -5.232  -5.232
  133    HE2  PHE   9           HE2      PHE   9  -2.514  -3.754  -3.754
  134    HZ   PHE   9            HZ      PHE   9  -3.498  -4.879  -4.879
  135    H    LYS  10            HN      LYS  10  -6.234  -0.640  -0.640
  136    HA   LYS  10            HA      LYS  10  -7.310   1.465   1.465
  137   1HB   LYS  10           HB2      LYS  10  -7.027   3.142   3.142
  138   2HB   LYS  10           HB1      LYS  10  -8.077   1.857   1.857
  139   1HG   LYS  10           HG2      LYS  10  -6.114   0.804   0.804
  140   2HG   LYS  10           HG1      LYS  10  -5.117   2.158   2.158
  141   1HD   LYS  10           HD2      LYS  10  -6.725   3.700   3.700
  142   2HD   LYS  10           HD1      LYS  10  -7.487   2.263   2.263
  143   1HE   LYS  10           HE2      LYS  10  -5.654   1.754   1.754
  144   2HE   LYS  10           HE1      LYS  10  -4.517   2.551   2.551
  145   1HZ   LYS  10           HZ2      LYS  10  -6.551   4.024   4.024
  146   2HZ   LYS  10           HZ1      LYS  10  -4.976   3.735   3.735
  147   3HZ   LYS  10           HZ3      LYS  10  -5.215   4.663   4.663
  148    H    ALA  11            HN      ALA  11  -5.704   3.404   3.404
  149    HA   ALA  11            HA      ALA  11  -3.286   2.355   2.355
  150   1HB   ALA  11           HB1      ALA  11  -4.444   5.071   5.071
  151   2HB   ALA  11           HB3      ALA  11  -2.725   4.924   4.924
  152   3HB   ALA  11           HB2      ALA  11  -3.936   4.285   4.285
  153    H    THR  12            HN      THR  12  -1.348   2.068   2.068
  154    HA   THR  12            HA      THR  12  -1.177   3.130   3.130
  155    HB   THR  12            HB      THR  12   0.304   1.242   1.242
  156    HG1  THR  12           HG1      THR  12   1.014  -0.074  -0.074
  157   1HG2  THR  12          HG22      THR  12  -2.217   0.402   0.402
  158   2HG2  THR  12          HG21      THR  12  -1.320  -0.605  -0.605
  159   3HG2  THR  12          HG23      THR  12  -2.103   0.874   0.874
  160    H    ALA  13            HN      ALA  13  -0.464   4.836   4.836
  161    HA   ALA  13            HA      ALA  13   2.167   5.658   5.658
  162   1HB   ALA  13           HB2      ALA  13   1.971   3.826   3.826
  163   2HB   ALA  13           HB1      ALA  13   3.077   5.200   5.200
  164   3HB   ALA  13           HB3      ALA  13   3.268   3.997   3.997
  165    H    ASP  14            HN      ASP  14   3.036   7.185   7.185
  166    HA   ASP  14            HA      ASP  14   0.885   9.061   9.061
  167   1HB   ASP  14           HB2      ASP  14   3.311   9.433   9.433
  168   2HB   ASP  14           HB1      ASP  14   3.712   9.365   9.365
  169    H    ASP  15            HN      ASP  15   1.888   6.404   6.404
  170    HA   ASP  15            HA      ASP  15   0.932   7.488   7.488
  171   1HB   ASP  15           HB2      ASP  15   3.637   6.403   6.403
  172   2HB   ASP  15           HB1      ASP  15   2.870   5.949   5.949
  173    H    GLU  16            HN      GLU  16  -0.132   5.685   5.685
  174    HA   GLU  16            HA      GLU  16  -0.202   3.087   3.087
  175   1HB   GLU  16           HB2      GLU  16   0.243   3.454   3.454
  176   2HB   GLU  16           HB1      GLU  16  -1.504   3.546   3.546
  177   1HG   GLU  16           HG2      GLU  16  -1.664   1.323   1.323
  178   2HG   GLU  16           HG1      GLU  16  -0.818   1.331   1.331
  179    H    LEU  17            HN      LEU  17  -2.548   2.040   2.040
  180    HA   LEU  17            HA      LEU  17  -4.569   4.095   4.095
  181   1HB   LEU  17           HB2      LEU  17  -3.690   3.063   3.063
  182   2HB   LEU  17           HB1      LEU  17  -4.098   1.470   1.470
  183    HG   LEU  17            HG      LEU  17  -6.499   2.192   2.192
  184   1HD1  LEU  17          HD11      LEU  17  -5.473   4.747   4.747
  185   2HD1  LEU  17          HD13      LEU  17  -6.078   4.410   4.410
  186   3HD1  LEU  17          HD12      LEU  17  -7.163   4.310   4.310
  187   1HD2  LEU  17          HD21      LEU  17  -4.890   1.485   1.485
  188   2HD2  LEU  17          HD23      LEU  17  -6.608   1.173   1.173
  189   3HD2  LEU  17          HD22      LEU  17  -6.095   2.657   2.657
  190    H    SER  18            HN      SER  18  -6.572   3.817   3.817
  191    HA   SER  18            HA      SER  18  -6.916   1.586   1.586
  192   1HB   SER  18           HB2      SER  18  -8.782   3.802   3.802
  193   2HB   SER  18           HB1      SER  18  -8.390   2.929   2.929
  194    HG   SER  18            HG      SER  18  -7.464   5.207   5.207
  195    H    PHE  19            HN      PHE  19  -8.255  -0.111  -0.111
  196    HA   PHE  19            HA      PHE  19 -10.456   0.333   0.333
  197   1HB   PHE  19           HB2      PHE  19  -9.986  -1.957  -1.957
  198   2HB   PHE  19           HB1      PHE  19  -8.699  -0.797  -0.797
  199    HD1  PHE  19           HD1      PHE  19  -9.683  -3.740  -3.740
  200    HD2  PHE  19           HD2      PHE  19  -6.544  -0.932  -0.932
  201    HE1  PHE  19           HE1      PHE  19  -8.058  -5.209  -5.209
  202    HE2  PHE  19           HE2      PHE  19  -4.920  -2.399  -2.399
  203    HZ   PHE  19            HZ      PHE  19  -5.674  -4.538  -4.538
  204    H    LYS  20            HN      LYS  20 -11.891  -1.769  -1.769
  205    HA   LYS  20            HA      LYS  20 -12.230  -2.619  -2.619
  206   1HB   LYS  20           HB2      LYS  20 -14.384  -2.124  -2.124
  207   2HB   LYS  20           HB1      LYS  20 -14.639  -2.594  -2.594
  208   1HG   LYS  20           HG2      LYS  20 -13.116  -0.118  -0.118
  209   2HG   LYS  20           HG1      LYS  20 -14.864  -0.109  -0.109
  210   1HD   LYS  20           HD2      LYS  20 -14.293  -1.302  -1.302
  211   2HD   LYS  20           HD1      LYS  20 -12.706  -0.571  -0.571
  212   1HE   LYS  20           HE2      LYS  20 -13.848   1.646   1.646
  213   2HE   LYS  20           HE1      LYS  20 -15.367   0.872   0.872
  214   1HZ   LYS  20           HZ1      LYS  20 -12.994   0.664   0.664
  215   2HZ   LYS  20           HZ3      LYS  20 -14.010   2.019   2.019
  216   3HZ   LYS  20           HZ2      LYS  20 -14.634   0.472   0.472
  217    H    ARG  21            HN      ARG  21 -13.841  -4.601  -4.601
  218    HA   ARG  21            HA      ARG  21 -12.504  -6.710  -6.710
  219   1HB   ARG  21           HB2      ARG  21 -13.474  -6.989  -6.989
  220   2HB   ARG  21           HB1      ARG  21 -15.083  -6.730  -6.730
  221   1HG   ARG  21           HG2      ARG  21 -14.947  -8.734  -8.734
  222   2HG   ARG  21           HG1      ARG  21 -13.225  -8.930  -8.930
  223   1HD   ARG  21           HD2      ARG  21 -13.973  -8.904  -8.904
  224   2HD   ARG  21           HD1      ARG  21 -15.581  -9.242  -9.242
  225    HE   ARG  21            HE      ARG  21 -13.264 -11.029 -11.029
  226   1HH1  ARG  21          HH21      ARG  21 -15.773 -10.785 -10.785
  227   2HH1  ARG  21          HH22      ARG  21 -16.525 -12.292 -12.292
  228   1HH2  ARG  21          HH11      ARG  21 -14.543 -12.838 -12.838
  229   2HH2  ARG  21          HH12      ARG  21 -15.828 -13.454 -13.454
  230    H    GLY  22            HN      GLY  22 -12.850  -6.879  -6.879
  231   1HA   GLY  22           HA2      GLY  22 -14.348  -7.685  -7.685
  232   2HA   GLY  22           HA1      GLY  22 -15.668  -6.824  -6.824
  233    H    ASP  23            HN      ASP  23 -12.921  -4.865  -4.865
  234    HA   ASP  23            HA      ASP  23 -13.918  -3.306  -3.306
  235   1HB   ASP  23           HB2      ASP  23 -12.992  -2.649  -2.649
  236   2HB   ASP  23           HB1      ASP  23 -11.760  -2.080  -2.080
  237    H    ILE  24            HN      ILE  24 -12.990  -4.303  -4.303
  238    HA   ILE  24            HA      ILE  24 -10.251  -5.215  -5.215
  239    HB   ILE  24            HB      ILE  24 -11.789  -4.521  -4.521
  240   1HG1  ILE  24          HG12      ILE  24 -12.225  -6.832  -6.832
  241   2HG1  ILE  24          HG11      ILE  24 -13.438  -5.753  -5.753
  242   1HG2  ILE  24          HG21      ILE  24  -9.300  -5.449  -5.449
  243   2HG2  ILE  24          HG23      ILE  24 -10.148  -6.986  -6.986
  244   3HG2  ILE  24          HG22      ILE  24 -10.292  -5.979  -5.979
  245   1HD1  ILE  24          HD13      ILE  24 -12.551  -6.785  -6.785
  246   2HD1  ILE  24          HD12      ILE  24 -12.101  -8.119  -8.119
  247   3HD1  ILE  24          HD11      ILE  24 -13.784  -7.604  -7.604
  248    H    LEU  25            HN      LEU  25  -8.444  -4.199  -4.199
  249    HA   LEU  25            HA      LEU  25  -8.683  -1.246  -1.246
  250   1HB   LEU  25           HB2      LEU  25  -6.058  -2.671  -2.671
  251   2HB   LEU  25           HB1      LEU  25  -6.490  -1.023  -1.023
  252    HG   LEU  25            HG      LEU  25  -6.364  -2.164  -2.164
  253   1HD1  LEU  25          HD12      LEU  25  -9.176  -1.789  -1.789
  254   2HD1  LEU  25          HD11      LEU  25  -8.895  -2.560  -2.560
  255   3HD1  LEU  25          HD13      LEU  25  -8.276  -0.947  -0.947
  256   1HD2  LEU  25          HD21      LEU  25  -6.747  -4.460  -4.460
  257   2HD2  LEU  25          HD23      LEU  25  -6.723  -4.376  -4.376
  258   3HD2  LEU  25          HD22      LEU  25  -8.263  -4.355  -4.355
  259    H    LYS  26            HN      LYS  26  -7.058  -0.230  -0.230
  260    HA   LYS  26            HA      LYS  26  -6.843  -1.986  -1.986
  261   1HB   LYS  26           HB2      LYS  26  -8.023   0.482   0.482
  262   2HB   LYS  26           HB1      LYS  26  -6.384   0.944   0.944
  263   1HG   LYS  26           HG2      LYS  26  -7.564  -1.348  -1.348
  264   2HG   LYS  26           HG1      LYS  26  -8.257   0.240   0.240
  265   1HD   LYS  26           HD2      LYS  26  -5.299   0.172   0.172
  266   2HD   LYS  26           HD1      LYS  26  -6.018  -0.732  -0.732
  267   1HE   LYS  26           HE2      LYS  26  -5.542   1.680   1.680
  268   2HE   LYS  26           HE1      LYS  26  -7.230   1.218   1.218
  269   1HZ   LYS  26           HZ3      LYS  26  -6.204   2.434   2.434
  270   2HZ   LYS  26           HZ2      LYS  26  -6.830   3.358   3.358
  271   3HZ   LYS  26           HZ1      LYS  26  -7.820   2.236   2.236
  272    H    VAL  27            HN      VAL  27  -4.835  -2.931  -2.931
  273    HA   VAL  27            HA      VAL  27  -2.586  -2.001  -2.001
  274    HB   VAL  27            HB      VAL  27  -2.487  -3.552  -3.552
  275   1HG1  VAL  27          HG13      VAL  27  -0.379  -2.514  -2.514
  276   2HG1  VAL  27          HG12      VAL  27  -0.612  -3.937  -3.937
  277   3HG1  VAL  27          HG11      VAL  27  -0.315  -4.127  -4.127
  278   1HG2  VAL  27          HG22      VAL  27  -2.991  -4.390  -4.390
  279   2HG2  VAL  27          HG21      VAL  27  -3.990  -4.727  -4.727
  280   3HG2  VAL  27          HG23      VAL  27  -2.427  -5.523  -5.523
  281    H    LEU  28            HN      LEU  28  -1.634  -0.129  -0.129
  282    HA   LEU  28            HA      LEU  28  -1.522   1.395   1.395
  283   1HB   LEU  28           HB2      LEU  28  -1.312   1.934   1.934
  284   2HB   LEU  28           HB1      LEU  28  -0.104   2.791   2.791
  285    HG   LEU  28            HG      LEU  28  -1.885   3.703   3.703
  286   1HD1  LEU  28          HD12      LEU  28  -3.440   1.715   1.715
  287   2HD1  LEU  28          HD11      LEU  28  -3.828   2.522   2.522
  288   3HD1  LEU  28          HD13      LEU  28  -4.197   3.310   3.310
  289   1HD2  LEU  28          HD23      LEU  28  -2.204   4.084   4.084
  290   2HD2  LEU  28          HD22      LEU  28  -1.157   5.010   5.010
  291   3HD2  LEU  28          HD21      LEU  28  -2.907   5.160   5.160
  292    H    ASN  29            HN      ASN  29   0.598  -0.072  -0.072
  293    HA   ASN  29            HA      ASN  29   2.665  -0.543  -0.543
  294   1HB   ASN  29           HB2      ASN  29   2.783   1.948   1.948
  295   2HB   ASN  29           HB1      ASN  29   3.656   1.142   1.142
  296   1HD2  ASN  29          HD22      ASN  29   5.327   1.323   1.323
  297   2HD2  ASN  29          HD21      ASN  29   3.684   1.697   1.697
  298    H    GLU  30            HN      GLU  30   4.731  -1.412  -1.412
  299    HA   GLU  30            HA      GLU  30   3.891  -2.921  -2.921
  300   1HB   GLU  30           HB2      GLU  30   5.101  -3.890  -3.890
  301   2HB   GLU  30           HB1      GLU  30   5.656  -4.643  -4.643
  302   1HG   GLU  30           HG2      GLU  30   3.419  -5.301  -5.301
  303   2HG   GLU  30           HG1      GLU  30   2.729  -4.337  -4.337
  304    H    GLU  31            HN      GLU  31   5.052  -0.680  -0.680
  305    HA   GLU  31            HA      GLU  31   8.003  -1.042  -1.042
  306   1HB   GLU  31           HB2      GLU  31   6.136   1.282   1.282
  307   2HB   GLU  31           HB1      GLU  31   7.748   1.336   1.336
  308   1HG   GLU  31           HG2      GLU  31   8.748   0.879   0.879
  309   2HG   GLU  31           HG1      GLU  31   7.138   0.817   0.817
  310    H    CYS  32            HN      CYS  32   8.818  -0.018  -0.018
  311    HA   CYS  32            HA      CYS  32   9.012  -0.385  -0.385
  312   1HB   CYS  32           HB2      CYS  32   6.377   0.334   0.334
  313   2HB   CYS  32           HB1      CYS  32   6.210  -1.246  -1.246
  314    HG   CYS  32            HG      CYS  32   7.167   1.290   1.290
  315    H    ASP  33            HN      ASP  33   7.839  -2.263  -2.263
  316    HA   ASP  33            HA      ASP  33   9.244  -4.571  -4.571
  317   1HB   ASP  33           HB2      ASP  33   7.521  -3.771  -3.771
  318   2HB   ASP  33           HB1      ASP  33   6.475  -4.896  -4.896
  319    H    GLN  34            HN      GLN  34   8.549  -6.799  -6.799
  320    HA   GLN  34            HA      GLN  34   7.211  -6.739  -6.739
  321   1HB   GLN  34           HB2      GLN  34   8.624  -8.989  -8.989
  322   2HB   GLN  34           HB1      GLN  34   7.984  -9.093  -9.093
  323   1HG   GLN  34           HG2      GLN  34  10.049  -7.063  -7.063
  324   2HG   GLN  34           HG1      GLN  34  10.433  -8.569  -8.569
  325   1HE2  GLN  34          HE22      GLN  34   9.900  -5.635  -5.635
  326   2HE2  GLN  34          HE21      GLN  34  10.761  -5.712  -5.712
  327    H    ASN  35            HN      ASN  35   5.838  -6.593  -6.593
  328    HA   ASN  35            HA      ASN  35   3.916  -8.793  -8.793
  329   1HB   ASN  35           HB2      ASN  35   4.605  -7.402  -7.402
  330   2HB   ASN  35           HB1      ASN  35   3.400  -8.683  -8.683
  331   1HD2  ASN  35          HD22      ASN  35   5.885 -11.263 -11.263
  332   2HD2  ASN  35          HD21      ASN  35   4.308 -10.825 -10.825
  333    H    TRP  36            HN      TRP  36   4.308  -5.436  -5.436
  334    HA   TRP  36            HA      TRP  36   1.366  -5.040  -5.040
  335   1HB   TRP  36           HB2      TRP  36   3.392  -2.893  -2.893
  336   2HB   TRP  36           HB1      TRP  36   1.643  -2.819  -2.819
  337    HD1  TRP  36           HD1      TRP  36   4.364  -5.361  -5.361
  338    HE1  TRP  36           HE1      TRP  36   4.018  -5.710  -5.710
  339    HE3  TRP  36           HE3      TRP  36   0.323  -2.258  -2.258
  340    HZ2  TRP  36           HZ2      TRP  36   2.349  -4.808  -4.808
  341    HZ3  TRP  36           HZ3      TRP  36  -0.555  -2.016  -2.016
  342    HH2  TRP  36           HH2      TRP  36   0.436  -3.292  -3.292
  343    H    TYR  37            HN      TYR  37   0.524  -3.769  -3.769
  344    HA   TYR  37            HA      TYR  37   2.517  -2.967  -2.967
  345   1HB   TYR  37           HB2      TYR  37  -0.324  -3.620  -3.620
  346   2HB   TYR  37           HB1      TYR  37   1.121  -3.684  -3.684
  347    HD1  TYR  37           HD2      TYR  37   2.964  -5.403  -5.403
  348    HD2  TYR  37           HD1      TYR  37  -1.314  -5.632  -5.632
  349    HE1  TYR  37           HE2      TYR  37   3.072  -7.851  -7.851
  350    HE2  TYR  37           HE1      TYR  37  -1.232  -8.068  -8.068
  351    HH   TYR  37            HH      TYR  37   1.460  -9.862  -9.862
  352    H    LYS  38            HN      LYS  38   2.182  -0.980  -0.980
  353    HA   LYS  38            HA      LYS  38   0.522   1.022   1.022
  354   1HB   LYS  38           HB2      LYS  38   2.490   1.539   1.539
  355   2HB   LYS  38           HB1      LYS  38   1.571   0.951   0.951
  356   1HG   LYS  38           HG2      LYS  38  -0.214   2.627   2.627
  357   2HG   LYS  38           HG1      LYS  38   0.871   3.288   3.288
  358   1HD   LYS  38           HD2      LYS  38   2.053   2.910   2.910
  359   2HD   LYS  38           HD1      LYS  38   0.804   4.154   4.154
  360   1HE   LYS  38           HE2      LYS  38   2.133   4.873   4.873
  361   2HE   LYS  38           HE1      LYS  38   3.466   4.014   4.014
  362   1HZ   LYS  38           HZ1      LYS  38   1.865   6.040   6.040
  363   2HZ   LYS  38           HZ3      LYS  38   3.213   6.473   6.473
  364   3HZ   LYS  38           HZ2      LYS  38   3.401   5.430   5.430
  365    H    ALA  39            HN      ALA  39  -1.617   1.762   1.762
  366    HA   ALA  39            HA      ALA  39  -2.910   0.454   0.454
  367   1HB   ALA  39           HB2      ALA  39  -2.823  -1.459  -1.459
  368   2HB   ALA  39           HB1      ALA  39  -3.700  -0.517  -0.517
  369   3HB   ALA  39           HB3      ALA  39  -4.502  -0.950  -0.950
  370    H    GLU  40            HN      GLU  40  -5.377   0.499   0.499
  371    HA   GLU  40            HA      GLU  40  -5.952   3.308   3.308
  372   1HB   GLU  40           HB2      GLU  40  -5.766   2.104   2.104
  373   2HB   GLU  40           HB1      GLU  40  -7.468   1.792   1.792
  374   1HG   GLU  40           HG2      GLU  40  -7.446   3.818   3.818
  375   2HG   GLU  40           HG1      GLU  40  -7.689   4.260   4.260
  376    H    LEU  41            HN      LEU  41  -8.153   3.734   3.734
  377    HA   LEU  41            HA      LEU  41 -10.001   1.600   1.600
  378   1HB   LEU  41           HB2      LEU  41  -8.784   3.358   3.358
  379   2HB   LEU  41           HB1      LEU  41 -10.517   3.011   3.011
  380    HG   LEU  41            HG      LEU  41  -8.551   0.838   0.838
  381   1HD1  LEU  41          HD13      LEU  41  -8.405   2.387   2.387
  382   2HD1  LEU  41          HD12      LEU  41  -9.511   1.101   1.101
  383   3HD1  LEU  41          HD11      LEU  41  -7.898   0.703   0.703
  384   1HD2  LEU  41          HD22      LEU  41 -11.336   1.032   1.032
  385   2HD2  LEU  41          HD21      LEU  41 -10.880   0.350   0.350
  386   3HD2  LEU  41          HD23      LEU  41 -10.414  -0.466  -0.466
  387    H    ASN  42            HN      ASN  42 -11.204   2.158   2.158
  388    HA   ASN  42            HA      ASN  42 -12.768   3.379   3.379
  389   1HB   ASN  42           HB2      ASN  42 -13.301   3.748   3.748
  390   2HB   ASN  42           HB1      ASN  42 -14.221   4.748   4.748
  391   1HD2  ASN  42          HD22      ASN  42 -15.603   1.710   1.710
  392   2HD2  ASN  42          HD21      ASN  42 -14.782   3.111   3.111
  393    H    GLY  43            HN      GLY  43 -10.157   4.897   4.897
  394   1HA   GLY  43           HA2      GLY  43 -10.170   7.135   7.135
  395   2HA   GLY  43           HA1      GLY  43 -11.172   7.693   7.693
  396    H    LYS  44            HN      LYS  44  -9.714   6.394   6.394
  397    HA   LYS  44            HA      LYS  44  -7.498   8.203   8.203
  398   1HB   LYS  44           HB2      LYS  44  -8.966   6.310   6.310
  399   2HB   LYS  44           HB1      LYS  44  -7.315   6.751   6.751
  400   1HG   LYS  44           HG2      LYS  44  -7.814   9.030   9.030
  401   2HG   LYS  44           HG1      LYS  44  -9.327   8.857   8.857
  402   1HD   LYS  44           HD2      LYS  44  -9.801   9.134   9.134
  403   2HD   LYS  44           HD1      LYS  44 -10.254   7.509   7.509
  404   1HE   LYS  44           HE2      LYS  44  -7.939   6.763   6.763
  405   2HE   LYS  44           HE1      LYS  44  -7.785   8.342   8.342
  406   1HZ   LYS  44           HZ2      LYS  44 -10.163   6.679   6.679
  407   2HZ   LYS  44           HZ1      LYS  44  -8.725   6.373   6.373
  408   3HZ   LYS  44           HZ3      LYS  44  -9.477   7.887   7.887
  409    H    ASP  45            HN      ASP  45  -5.651   6.851   6.851
  410    HA   ASP  45            HA      ASP  45  -5.030   4.445   4.445
  411   1HB   ASP  45           HB2      ASP  45  -3.298   5.256   5.256
  412   2HB   ASP  45           HB1      ASP  45  -4.539   6.489   6.489
  413    H    GLY  46            HN      GLY  46  -2.478   4.007   4.007
  414   1HA   GLY  46           HA2      GLY  46  -0.794   4.616   4.616
  415   2HA   GLY  46           HA1      GLY  46  -2.146   4.402   4.402
  416    H    PHE  47            HN      PHE  47   0.250   2.909   2.909
  417    HA   PHE  47            HA      PHE  47   0.120   0.323   0.323
  418   1HB   PHE  47           HB2      PHE  47   1.524   1.315   1.315
  419   2HB   PHE  47           HB1      PHE  47   1.703  -0.331  -0.331
  420    HD1  PHE  47           HD1      PHE  47   2.332   3.238   3.238
  421    HD2  PHE  47           HD2      PHE  47   2.904  -0.799  -0.799
  422    HE1  PHE  47           HE1      PHE  47   4.014   4.025   4.025
  423    HE2  PHE  47           HE2      PHE  47   4.587  -0.012  -0.012
  424    HZ   PHE  47            HZ      PHE  47   5.142   2.402   2.402
  425    H    ILE  48            HN      ILE  48  -0.370  -1.771  -1.771
  426    HA   ILE  48            HA      ILE  48  -2.073  -1.590  -1.590
  427    HB   ILE  48            HB      ILE  48  -3.795  -3.047  -3.047
  428   1HG1  ILE  48          HG12      ILE  48  -2.348  -2.172  -2.172
  429   2HG1  ILE  48          HG11      ILE  48  -2.243  -3.792  -3.792
  430   1HG2  ILE  48          HG22      ILE  48  -4.016  -0.554  -0.554
  431   2HG2  ILE  48          HG21      ILE  48  -3.365  -0.369  -0.369
  432   3HG2  ILE  48          HG23      ILE  48  -4.902  -1.199  -1.199
  433   1HD1  ILE  48          HD13      ILE  48  -4.944  -3.455  -3.455
  434   2HD1  ILE  48          HD12      ILE  48  -4.458  -2.510  -2.510
  435   3HD1  ILE  48          HD11      ILE  48  -4.016  -4.213  -4.213
  436    HA   PRO  49            HA      PRO  49   0.305  -5.278  -5.278
  437   1HB   PRO  49           HB2      PRO  49  -1.202  -6.348  -6.348
  438   2HB   PRO  49           HB1      PRO  49  -0.020  -5.047  -5.047
  439   1HG   PRO  49           HG2      PRO  49  -3.022  -4.875  -4.875
  440   2HG   PRO  49           HG1      PRO  49  -1.888  -3.864  -3.864
  441   1HD   PRO  49           HD2      PRO  49  -3.055  -3.080  -3.080
  442   2HD   PRO  49           HD1      PRO  49  -1.574  -2.410  -2.410
  443    H    LYS  50            HN      LYS  50   0.099  -6.704  -6.704
  444    HA   LYS  50            HA      LYS  50  -2.167  -7.766  -7.766
  445   1HB   LYS  50           HB2      LYS  50   0.085  -7.935  -7.935
  446   2HB   LYS  50           HB1      LYS  50   0.554  -8.987  -8.987
  447   1HG   LYS  50           HG2      LYS  50  -1.608 -10.330 -10.330
  448   2HG   LYS  50           HG1      LYS  50  -0.854  -9.633  -9.633
  449   1HD   LYS  50           HD2      LYS  50   1.377 -10.464 -10.464
  450   2HD   LYS  50           HD1      LYS  50   0.399 -11.430 -11.430
  451   1HE   LYS  50           HE2      LYS  50  -0.765 -12.470 -12.470
  452   2HE   LYS  50           HE1      LYS  50   0.293 -11.570 -11.570
  453   1HZ   LYS  50           HZ1      LYS  50   2.179 -12.635 -12.635
  454   2HZ   LYS  50           HZ3      LYS  50   1.017 -13.702 -13.702
  455   3HZ   LYS  50           HZ2      LYS  50   1.302 -13.641 -13.641
  456    H    ASN  51            HN      ASN  51  -0.967  -8.712  -8.712
  457    HA   ASN  51            HA      ASN  51  -1.897 -11.304 -11.304
  458   1HB   ASN  51           HB2      ASN  51  -1.280  -9.199  -9.199
  459   2HB   ASN  51           HB1      ASN  51  -2.193 -10.538 -10.538
  460   1HD2  ASN  51          HD22      ASN  51   1.574 -11.167 -11.167
  461   2HD2  ASN  51          HD21      ASN  51   0.661  -9.808  -9.808
  462    H    TYR  52            HN      TYR  52  -3.586  -8.313  -8.313
  463    HA   TYR  52            HA      TYR  52  -6.146  -9.709  -9.709
  464   1HB   TYR  52           HB2      TYR  52  -5.294  -6.812  -6.812
  465   2HB   TYR  52           HB1      TYR  52  -6.974  -7.273  -7.273
  466    HD1  TYR  52           HD1      TYR  52  -4.227  -9.179  -9.179
  467    HD2  TYR  52           HD2      TYR  52  -7.437  -6.389  -6.389
  468    HE1  TYR  52           HE1      TYR  52  -4.065  -9.324  -9.324
  469    HE2  TYR  52           HE2      TYR  52  -7.281  -6.541  -6.541
  470    HH   TYR  52            HH      TYR  52  -5.378  -8.935  -8.935
  471    H    ILE  53            HN      ILE  53  -4.779  -9.948  -9.948
  472    HA   ILE  53            HA      ILE  53  -6.813  -8.927  -8.927
  473    HB   ILE  53            HB      ILE  53  -4.158  -8.244  -8.244
  474   1HG1  ILE  53          HG12      ILE  53  -5.537  -6.441  -6.441
  475   2HG1  ILE  53          HG11      ILE  53  -4.117  -7.410  -7.410
  476   1HG2  ILE  53          HG23      ILE  53  -6.933  -7.306  -7.306
  477   2HG2  ILE  53          HG22      ILE  53  -5.665  -6.121  -6.121
  478   3HG2  ILE  53          HG21      ILE  53  -5.710  -7.579  -7.579
  479   1HD1  ILE  53          HD12      ILE  53  -3.755  -5.904  -5.904
  480   2HD1  ILE  53          HD11      ILE  53  -4.149  -4.852  -4.852
  481   3HD1  ILE  53          HD13      ILE  53  -2.762  -5.922  -5.922
  482    H    GLU  54            HN      GLU  54  -6.224  -9.464  -9.464
  483    HA   GLU  54            HA      GLU  54  -4.491 -11.668 -11.668
  484   1HB   GLU  54           HB2      GLU  54  -7.311 -12.057 -12.057
  485   2HB   GLU  54           HB1      GLU  54  -6.832 -12.532 -12.532
  486   1HG   GLU  54           HG2      GLU  54  -4.902 -13.807 -13.807
  487   2HG   GLU  54           HG1      GLU  54  -5.830 -13.602 -13.602
  488    H    MET  55            HN      MET  55  -4.256 -12.016 -12.016
  489    HA   MET  55            HA      MET  55  -4.686  -9.442  -9.442
  490   1HB   MET  55           HB2      MET  55  -2.443 -10.786 -10.786
  491   2HB   MET  55           HB1      MET  55  -3.089 -11.684 -11.684
  492   1HG   MET  55           HG2      MET  55  -3.387  -9.586  -9.586
  493   2HG   MET  55           HG1      MET  55  -2.771  -8.671  -8.671
  494   1HE   MET  55           HE3      MET  55  -1.480  -7.531  -7.531
  495   2HE   MET  55           HE2      MET  55   0.221  -7.847  -7.847
  496   3HE   MET  55           HE1      MET  55  -0.402  -8.051  -8.051
  497    H    LYS  56            HN      LYS  56  -6.534  -9.299  -9.299
  498    HA   LYS  56            HA      LYS  56  -7.399 -11.620 -11.620
  499   1HB   LYS  56           HB2      LYS  56  -8.754  -9.301  -9.301
  500   2HB   LYS  56           HB1      LYS  56  -9.392  -9.941  -9.941
  501   1HG   LYS  56           HG2      LYS  56  -9.073 -12.258 -12.258
  502   2HG   LYS  56           HG1      LYS  56  -9.150 -11.259 -11.259
  503   1HD   LYS  56           HD2      LYS  56 -11.223 -10.795 -10.795
  504   2HD   LYS  56           HD1      LYS  56 -11.357 -12.272 -12.272
  505   1HE   LYS  56           HE2      LYS  56 -11.507 -11.066 -11.066
  506   2HE   LYS  56           HE1      LYS  56 -10.970  -9.565  -9.565
  507   1HZ   LYS  56           HZ1      LYS  56 -13.494 -10.989 -10.989
  508   2HZ   LYS  56           HZ3      LYS  56 -13.387  -9.650  -9.650
  509   3HZ   LYS  56           HZ2      LYS  56 -12.993  -9.485  -9.485
  510    HA   PRO  57            HA      PRO  57  -6.291  -9.893  -9.893
  511   1HB   PRO  57           HB2      PRO  57  -8.232 -10.816 -10.816
  512   2HB   PRO  57           HB1      PRO  57  -6.879 -11.789 -11.789
  513   1HG   PRO  57           HG2      PRO  57  -9.713 -11.774 -11.774
  514   2HG   PRO  57           HG1      PRO  57  -8.540 -13.079 -13.079
  515   1HD   PRO  57           HD2      PRO  57  -9.323 -11.557 -11.557
  516   2HD   PRO  57           HD1      PRO  57  -7.854 -12.553 -12.553
  517    H    HIS  58            HN      HIS  58  -7.722  -8.955  -8.955
  518    HA   HIS  58            HA      HIS  58  -9.777  -7.062  -7.062
  519   1HB   HIS  58           HB2      HIS  58  -7.666  -5.926  -5.926
  520   2HB   HIS  58           HB1      HIS  58  -7.086  -6.087  -6.087
  521    HD1  HIS  58           HD1      HIS  58 -10.692  -5.284  -5.284
  522    HD2  HIS  58           HD2      HIS  58  -7.153  -3.233  -3.233
  523    HE1  HIS  58           HE1      HIS  58 -11.365  -2.947  -2.947
  524    HA   PRO  59            HA      PRO  59 -10.178  -8.378  -8.378
  525   1HB   PRO  59           HB2      PRO  59 -12.902  -8.726  -8.726
  526   2HB   PRO  59           HB1      PRO  59 -11.741  -9.987  -9.987
  527   1HG   PRO  59           HG2      PRO  59 -13.471  -8.307  -8.307
  528   2HG   PRO  59           HG1      PRO  59 -12.806  -9.924  -9.924
  529   1HD   PRO  59           HD2      PRO  59 -11.797  -7.498  -7.498
  530   2HD   PRO  59           HD1      PRO  59 -10.965  -9.068  -9.068
  531    H    GLU  60            HN      GLU  60 -11.375  -7.312  -7.312
  532    HA   GLU  60            HA      GLU  60 -13.077  -5.049  -5.049
  533   1HB   GLU  60           HB2      GLU  60 -10.657  -4.322  -4.322
  534   2HB   GLU  60           HB1      GLU  60 -10.381  -4.080  -4.080
  535   1HG   GLU  60           HG2      GLU  60 -12.697  -2.834  -2.834
  536   2HG   GLU  60           HG1      GLU  60 -12.330  -2.694  -2.694
  537    H    PHE  61            HN      PHE  61 -13.948  -6.393  -6.393
  538    HA   PHE  61            HA      PHE  61 -12.439  -6.294  -6.294
  539   1HB   PHE  61           HB2      PHE  61 -13.971  -8.277  -8.277
  540   2HB   PHE  61           HB1      PHE  61 -15.140  -7.511  -7.511
  541    HD1  PHE  61           HD1      PHE  61 -11.637  -8.829  -8.829
  542    HD2  PHE  61           HD2      PHE  61 -15.125  -8.006  -8.006
  543    HE1  PHE  61           HE1      PHE  61 -10.585  -9.957  -9.957
  544    HE2  PHE  61           HE2      PHE  61 -14.073  -9.135  -9.135
  545    HZ   PHE  61            HZ      PHE  61 -11.802 -10.110 -10.110
  546    H    ILE  62            HN      ILE  62 -15.761  -5.573  -5.573
  547    HA   ILE  62            HA      ILE  62 -17.248  -3.892  -3.892
  548    HB   ILE  62            HB      ILE  62 -14.836  -2.601  -2.601
  549   1HG1  ILE  62          HG12      ILE  62 -17.345  -1.252  -1.252
  550   2HG1  ILE  62          HG11      ILE  62 -17.175  -1.856  -1.856
  551   1HG2  ILE  62          HG22      ILE  62 -14.933  -2.926  -2.926
  552   2HG2  ILE  62          HG21      ILE  62 -15.756  -1.384  -1.384
  553   3HG2  ILE  62          HG23      ILE  62 -14.121  -1.591  -1.591
  554   1HD1  ILE  62          HD12      ILE  62 -14.972  -0.143  -0.143
  555   2HD1  ILE  62          HD11      ILE  62 -16.501   0.655   0.655
  556   3HD1  ILE  62          HD13      ILE  62 -15.648  -0.239  -0.239
  557    H    VAL  63            HN      VAL  63 -16.510  -6.245  -6.245
  558    HA   VAL  63            HA      VAL  63 -18.036  -5.304  -5.304
  559    HB   VAL  63            HB      VAL  63 -15.383  -6.750  -6.750
  560   1HG1  VAL  63          HG11      VAL  63 -17.402  -5.675  -5.675
  561   2HG1  VAL  63          HG13      VAL  63 -15.767  -6.165  -6.165
  562   3HG1  VAL  63          HG12      VAL  63 -16.897  -7.352  -7.352
  563   1HG2  VAL  63          HG21      VAL  63 -16.186  -3.856  -3.856
  564   2HG2  VAL  63          HG23      VAL  63 -14.846  -4.510  -4.510
  565   3HG2  VAL  63          HG22      VAL  63 -14.778  -4.531  -4.531
  566    H    THR  64            HN      THR  64 -19.740  -6.682  -6.682
  567    HA   THR  64            HA      THR  64 -20.927  -8.702  -8.702
  568    HB   THR  64            HB      THR  64 -18.607 -10.154 -10.154
  569    HG1  THR  64           HG1      THR  64 -20.314  -8.318  -8.318
  570   1HG2  THR  64          HG23      THR  64 -21.608 -10.237 -10.237
  571   2HG2  THR  64          HG22      THR  64 -20.672 -10.933 -10.933
  572   3HG2  THR  64          HG21      THR  64 -20.470 -11.545 -11.545
  573    H    ASP  65            HN      ASP  65 -19.527  -7.987  -7.987
  574    HA   ASP  65            HA      ASP  65 -18.753  -8.884  -8.884
  575   1HB   ASP  65           HB2      ASP  65 -20.096 -11.204 -11.204
  576   2HB   ASP  65           HB1      ASP  65 -19.165 -11.495 -11.495
  577   1H    SER   1           HT2      SER   1 -16.092  -9.105  -9.105
  578   2H    SER   1           HT1      SER   1 -17.338 -10.230 -10.230
  579   3H    SER   1           HT3      SER   1 -17.246  -8.844  -8.844
  580    HA   SER   1            HA      SER   1 -15.675  -9.667  -9.667
  581   1HB   SER   1           HB2      SER   1 -16.118 -12.425 -12.425
  582   2HB   SER   1           HB1      SER   1 -16.290 -11.769 -11.769
  583    HG   SER   1            HG      SER   1 -18.340 -12.014 -12.014
  584    HA   PRO   2            HA      PRO   2 -12.469 -12.006 -12.006
  585   1HB   PRO   2           HB2      PRO   2 -12.960 -12.417 -12.417
  586   2HB   PRO   2           HB1      PRO   2 -13.397 -13.577 -13.577
  587   1HG   PRO   2           HG2      PRO   2 -15.169 -11.754 -11.754
  588   2HG   PRO   2           HG1      PRO   2 -15.562 -13.285 -13.285
  589   1HD   PRO   2           HD2      PRO   2 -16.134 -10.683 -10.683
  590   2HD   PRO   2           HD1      PRO   2 -16.270 -12.202 -12.202
  591    H    LEU   3            HN      LEU   3 -10.745 -11.212 -11.212
  592    HA   LEU   3            HA      LEU   3 -11.243  -8.691  -8.691
  593   1HB   LEU   3           HB2      LEU   3 -10.555  -8.472  -8.472
  594   2HB   LEU   3           HB1      LEU   3  -8.965  -8.475  -8.475
  595    HG   LEU   3            HG      LEU   3 -11.079  -6.765  -6.765
  596   1HD1  LEU   3          HD13      LEU   3  -9.750  -6.254  -6.254
  597   2HD1  LEU   3          HD12      LEU   3 -10.283  -4.927  -4.927
  598   3HD1  LEU   3          HD11      LEU   3 -11.455  -6.095  -6.095
  599   1HD2  LEU   3          HD22      LEU   3  -8.600  -7.135  -7.135
  600   2HD2  LEU   3          HD21      LEU   3  -9.231  -5.489  -5.489
  601   3HD2  LEU   3          HD23      LEU   3  -8.214  -6.065  -6.065
  602    H    LEU   4            HN      LEU   4  -9.630  -8.308  -8.308
  603    HA   LEU   4            HA      LEU   4  -8.104 -10.596 -10.596
  604   1HB   LEU   4           HB2      LEU   4  -8.144  -7.696  -7.696
  605   2HB   LEU   4           HB1      LEU   4  -7.032  -8.856  -8.856
  606    HG   LEU   4            HG      LEU   4  -9.308 -10.283 -10.283
  607   1HD1  LEU   4          HD13      LEU   4 -10.090  -7.367  -7.367
  608   2HD1  LEU   4          HD12      LEU   4 -11.036  -8.558  -8.558
  609   3HD1  LEU   4          HD11      LEU   4 -10.839  -8.717  -8.717
  610   1HD2  LEU   4          HD23      LEU   4  -7.645  -9.500  -9.500
  611   2HD2  LEU   4          HD22      LEU   4  -9.317  -9.709  -9.709
  612   3HD2  LEU   4          HD21      LEU   4  -8.689  -8.093  -8.093
  613    HA   PRO   5            HA      PRO   5  -4.423  -9.954  -9.954
  614   1HB   PRO   5           HB2      PRO   5  -2.598 -11.271 -11.271
  615   2HB   PRO   5           HB1      PRO   5  -3.789 -12.097 -12.097
  616   1HG   PRO   5           HG2      PRO   5  -3.776 -11.762 -11.762
  617   2HG   PRO   5           HG1      PRO   5  -4.527 -13.032 -13.032
  618   1HD   PRO   5           HD2      PRO   5  -5.870 -10.824 -10.824
  619   2HD   PRO   5           HD1      PRO   5  -6.533 -11.917 -11.917
  620    H    LYS   6            HN      LYS   6  -1.821  -9.591  -9.591
  621    HA   LYS   6            HA      LYS   6  -1.887  -6.852  -6.852
  622   1HB   LYS   6           HB2      LYS   6   0.504  -8.597  -8.597
  623   2HB   LYS   6           HB1      LYS   6   0.511  -6.846  -6.846
  624   1HG   LYS   6           HG2      LYS   6  -0.591  -6.462  -6.462
  625   2HG   LYS   6           HG1      LYS   6  -1.376  -8.040  -8.040
  626   1HD   LYS   6           HD2      LYS   6   0.420  -9.095  -9.095
  627   2HD   LYS   6           HD1      LYS   6   1.591  -8.050  -8.050
  628   1HE   LYS   6           HE2      LYS   6   1.694  -7.468  -7.468
  629   2HE   LYS   6           HE1      LYS   6   0.776  -6.179  -6.179
  630   1HZ   LYS   6           HZ2      LYS   6  -0.483  -8.536  -8.536
  631   2HZ   LYS   6           HZ1      LYS   6  -0.221  -7.061  -7.061
  632   3HZ   LYS   6           HZ3      LYS   6  -1.250  -7.121  -7.121
  633    H    LEU   7            HN      LEU   7   0.604  -6.887  -6.887
  634    HA   LEU   7            HA      LEU   7  -0.209  -8.432  -8.432
  635   1HB   LEU   7           HB2      LEU   7   0.227  -5.601  -5.601
  636   2HB   LEU   7           HB1      LEU   7   1.423  -6.220  -6.220
  637    HG   LEU   7            HG      LEU   7  -0.622  -5.480  -5.480
  638   1HD1  LEU   7          HD12      LEU   7   0.250  -8.335  -8.335
  639   2HD1  LEU   7          HD11      LEU   7  -1.196  -7.922  -7.922
  640   3HD1  LEU   7          HD13      LEU   7   0.334  -7.128  -7.128
  641   1HD2  LEU   7          HD23      LEU   7  -2.086  -6.149  -6.149
  642   2HD2  LEU   7          HD22      LEU   7  -2.760  -6.373  -6.373
  643   3HD2  LEU   7          HD21      LEU   7  -2.107  -7.754  -7.754
  644    HA   PRO   8            HA      PRO   8   4.133  -9.721  -9.721
  645   1HB   PRO   8           HB2      PRO   8   3.640 -12.387 -12.387
  646   2HB   PRO   8           HB1      PRO   8   3.466 -11.199 -11.199
  647   1HG   PRO   8           HG2      PRO   8   1.338 -12.681 -12.681
  648   2HG   PRO   8           HG1      PRO   8   1.232 -11.788 -11.788
  649   1HD   PRO   8           HD2      PRO   8   0.432 -10.900 -10.900
  650   2HD   PRO   8           HD1      PRO   8   0.193 -10.078 -10.078
  651    HA   PRO   9            HA      PRO   9   3.685 -11.353 -11.353
  652   1HB   PRO   9           HB2      PRO   9   5.646  -9.803  -9.803
  653   2HB   PRO   9           HB1      PRO   9   3.957  -9.279  -9.279
  654   1HG   PRO   9           HG2      PRO   9   6.328  -8.441  -8.441
  655   2HG   PRO   9           HG1      PRO   9   4.870  -7.522  -7.522
  656   1HD   PRO   9           HD2      PRO   9   5.332  -8.752  -8.752
  657   2HD   PRO   9           HD1      PRO   9   3.760  -8.252  -8.252
  658    H    LYS  10            HN      LYS  10   5.034 -13.007 -13.007
  659    HA   LYS  10            HA      LYS  10   7.859 -13.137 -13.137
  660   1HB   LYS  10           HB2      LYS  10   6.282 -14.106 -14.106
  661   2HB   LYS  10           HB1      LYS  10   7.407 -15.311 -15.311
  662   1HG   LYS  10           HG2      LYS  10   8.571 -12.612 -12.612
  663   2HG   LYS  10           HG1      LYS  10   8.080 -13.289 -13.289
  664   1HD   LYS  10           HD2      LYS  10  10.129 -14.296 -14.296
  665   2HD   LYS  10           HD1      LYS  10   9.294 -15.456 -15.456
  666   1HE   LYS  10           HE2      LYS  10  10.930 -14.942 -14.942
  667   2HE   LYS  10           HE1      LYS  10   9.940 -13.516 -13.516
  668   1HZ   LYS  10           HZ1      LYS  10  11.207 -12.350 -12.350
  669   2HZ   LYS  10           HZ3      LYS  10  12.208 -13.708 -13.708
  670   3HZ   LYS  10           HZ2      LYS  10  12.185 -12.848 -12.848
  671    H    THR  11            HN      THR  11   5.980 -16.089 -16.089
  672    HA   THR  11            HA      THR  11   5.600 -16.774 -16.774
  673    HB   THR  11            HB      THR  11   7.733 -18.349 -18.349
  674    HG1  THR  11           HG1      THR  11   9.172 -17.292 -17.292
  675   1HG2  THR  11          HG23      THR  11   6.407 -18.461 -18.461
  676   2HG2  THR  11          HG22      THR  11   8.121 -18.870 -18.870
  677   3HG2  THR  11          HG21      THR  11   6.956 -19.777 -19.777
  678    H    TYR  12            HN      TYR  12   3.508 -17.387 -17.387
  679    HA   TYR  12            HA      TYR  12   3.357 -20.030 -20.030
  680   1HB   TYR  12           HB2      TYR  12   2.295 -17.524 -17.524
  681   2HB   TYR  12           HB1      TYR  12   1.624 -19.115 -19.115
  682    HD1  TYR  12           HD1      TYR  12   3.635 -20.980 -20.980
  683    HD2  TYR  12           HD2      TYR  12   3.897 -16.781 -16.781
  684    HE1  TYR  12           HE1      TYR  12   5.513 -21.419 -21.419
  685    HE2  TYR  12           HE2      TYR  12   5.775 -17.218 -17.218
  686    HH   TYR  12            HH      TYR  12   6.457 -20.033 -20.033
  687    H    LYS  13            HN      LYS  13   1.469 -21.116 -21.116
  688    HA   LYS  13            HA      LYS  13  -0.349 -19.619 -19.619
  689   1HB   LYS  13           HB2      LYS  13   0.430 -22.545 -22.545
  690   2HB   LYS  13           HB1      LYS  13  -0.903 -21.950 -21.950
  691   1HG   LYS  13           HG2      LYS  13   1.600 -20.422 -20.422
  692   2HG   LYS  13           HG1      LYS  13   1.721 -22.108 -22.108
  693   1HD   LYS  13           HD2      LYS  13   0.860 -21.300 -21.300
  694   2HD   LYS  13           HD1      LYS  13  -0.674 -21.463 -21.463
  695   1HE   LYS  13           HE2      LYS  13  -0.350 -19.086 -19.086
  696   2HE   LYS  13           HE1      LYS  13   1.007 -18.963 -18.963
  697   1HZ   LYS  13           HZ2      LYS  13  -1.760 -19.702 -19.702
  698   2HZ   LYS  13           HZ1      LYS  13  -1.100 -18.144 -18.144
  699   3HZ   LYS  13           HZ3      LYS  13  -0.448 -19.431 -19.431
  700    H    ARG  14            HN      ARG  14  -2.447 -19.397 -19.397
  701    HA   ARG  14            HA      ARG  14  -3.670 -21.381 -21.381
  702   1HB   ARG  14           HB2      ARG  14  -2.451 -19.267 -19.267
  703   2HB   ARG  14           HB1      ARG  14  -4.049 -18.579 -18.579
  704   1HG   ARG  14           HG2      ARG  14  -4.982 -20.756 -20.756
  705   2HG   ARG  14           HG1      ARG  14  -3.343 -21.041 -21.041
  706   1HD   ARG  14           HD2      ARG  14  -3.671 -18.466 -18.466
  707   2HD   ARG  14           HD1      ARG  14  -5.341 -19.028 -19.028
  708    HE   ARG  14            HE      ARG  14  -3.090 -20.365 -20.365
  709   1HH1  ARG  14          HH11      ARG  14  -4.714 -22.195 -22.195
  710   2HH1  ARG  14          HH12      ARG  14  -5.933 -21.538 -21.538
  711   1HH2  ARG  14          HH21      ARG  14  -5.371 -18.258 -18.258
  712   2HH2  ARG  14          HH22      ARG  14  -6.304 -19.310 -19.310
  713    H    GLU  15            HN      GLU  15  -5.942 -21.382 -21.382
  714    HA   GLU  15            HA      GLU  15  -7.038 -19.651 -19.651
  715   1HB   GLU  15           HB2      GLU  15  -7.477 -22.439 -22.439
  716   2HB   GLU  15           HB1      GLU  15  -8.971 -21.557 -21.557
  717   1HG   GLU  15           HG2      GLU  15  -6.673 -21.443 -21.443
  718   2HG   GLU  15           HG1      GLU  15  -7.834 -22.770 -22.770

  Start of MODEL    5
    1   1H    GLY  -8           HT3      GLY  -8  10.953   5.109   5.109
    2   2H    GLY  -8           HT2      GLY  -8  11.512   3.506   3.506
    3   3H    GLY  -8           HT1      GLY  -8  10.270   4.001   4.001
    4   1HA   GLY  -8           HA1      GLY  -8   9.124   3.053   3.053
    5   2HA   GLY  -8           HA2      GLY  -8  10.239   3.411   3.411
    6    H    SER  -7            HN      SER  -7   8.204   4.612   4.612
    7    HA   SER  -7            HA      SER  -7   6.513   6.285   6.285
    8   1HB   SER  -7           HB2      SER  -7   5.299   6.552   6.552
    9   2HB   SER  -7           HB1      SER  -7   6.843   7.344   7.344
   10    HG   SER  -7            HG      SER  -7   7.673   6.130   6.130
   11    H    ARG  -6            HN      ARG  -6   5.384   4.116   4.116
   12    HA   ARG  -6            HA      ARG  -6   3.604   2.588   2.588
   13   1HB   ARG  -6           HB2      ARG  -6   4.540   2.252   2.252
   14   2HB   ARG  -6           HB1      ARG  -6   3.299   1.241   1.241
   15   1HG   ARG  -6           HG2      ARG  -6   5.225   1.097   1.097
   16   2HG   ARG  -6           HG1      ARG  -6   6.228   1.287   1.287
   17   1HD   ARG  -6           HD2      ARG  -6   5.721  -0.787  -0.787
   18   2HD   ARG  -6           HD1      ARG  -6   4.017  -0.630  -0.630
   19    HE   ARG  -6            HE      ARG  -6   6.011  -1.960  -1.960
   20   1HH1  ARG  -6          HH21      ARG  -6   5.725  -0.206  -0.206
   21   2HH1  ARG  -6          HH22      ARG  -6   4.194  -0.553  -0.553
   22   1HH2  ARG  -6          HH11      ARG  -6   2.969  -2.276  -2.276
   23   2HH2  ARG  -6          HH12      ARG  -6   2.635  -1.723  -1.723
   24    H    ARG  -5            HN      ARG  -5   1.758   3.785   3.785
   25    HA   ARG  -5            HA      ARG  -5   0.334   4.751   4.751
   26   1HB   ARG  -5           HB2      ARG  -5  -0.654   6.538   6.538
   27   2HB   ARG  -5           HB1      ARG  -5   1.078   6.711   6.711
   28   1HG   ARG  -5           HG2      ARG  -5   1.551   6.455   6.455
   29   2HG   ARG  -5           HG1      ARG  -5   0.544   5.014   5.014
   30   1HD   ARG  -5           HD2      ARG  -5  -0.783   6.320   6.320
   31   2HD   ARG  -5           HD1      ARG  -5  -1.357   6.979   6.979
   32    HE   ARG  -5            HE      ARG  -5   0.703   8.625   8.625
   33   1HH1  ARG  -5          HH11      ARG  -5  -2.267   8.612   8.612
   34   2HH1  ARG  -5          HH12      ARG  -5  -1.861   9.369   9.369
   35   1HH2  ARG  -5          HH21      ARG  -5   1.561   9.042   9.042
   36   2HH2  ARG  -5          HH22      ARG  -5   0.306   9.612   9.612
   37    H    ALA  -4            HN      ALA  -4  -0.979   2.880   2.880
   38    HA   ALA  -4            HA      ALA  -4  -2.717   2.333   2.333
   39   1HB   ALA  -4           HB3      ALA  -4  -1.853   0.605   0.605
   40   2HB   ALA  -4           HB2      ALA  -4  -3.205   0.160   0.160
   41   3HB   ALA  -4           HB1      ALA  -4  -1.586   0.327   0.327
   42    H    SER  -3            HN      SER  -3  -3.301   1.583   1.583
   43    HA   SER  -3            HA      SER  -3  -5.143   3.684   3.684
   44   1HB   SER  -3           HB2      SER  -3  -6.568   2.808   2.808
   45   2HB   SER  -3           HB1      SER  -3  -6.358   1.158   1.158
   46    HG   SER  -3            HG      SER  -3  -7.874   3.266   3.266
   47    H    VAL  -2            HN      VAL  -2  -5.713   0.195   0.195
   48    HA   VAL  -2            HA      VAL  -2  -5.774   0.608   0.608
   49    HB   VAL  -2            HB      VAL  -2  -7.362  -0.943  -0.943
   50   1HG1  VAL  -2          HG11      VAL  -2  -4.820  -2.391  -2.391
   51   2HG1  VAL  -2          HG13      VAL  -2  -6.404  -3.166  -3.166
   52   3HG1  VAL  -2          HG12      VAL  -2  -6.086  -1.782  -1.782
   53   1HG2  VAL  -2          HG22      VAL  -2  -6.483  -1.315  -1.315
   54   2HG2  VAL  -2          HG21      VAL  -2  -7.182  -2.729  -2.729
   55   3HG2  VAL  -2          HG23      VAL  -2  -5.430  -2.553  -2.553
   56    H    GLY  -1            HN      GLY  -1  -4.425  -0.772  -0.772
   57   1HA   GLY  -1           HA2      GLY  -1  -2.004  -2.013  -2.013
   58   2HA   GLY  -1           HA1      GLY  -1  -1.683  -0.416  -0.416
   59    H    SER   0            HN      SER   0  -3.049  -0.141  -0.141
   60    HA   SER   0            HA      SER   0  -1.846  -1.942  -1.942
   61   1HB   SER   0           HB2      SER   0  -3.969   0.185   0.185
   62   2HB   SER   0           HB1      SER   0  -3.498  -0.800  -0.800
   63    HG   SER   0            HG      SER   0  -1.314  -0.122  -0.122
   64    H    MET   1            HN      MET   1  -3.025  -3.285  -3.285
   65    HA   MET   1            HA      MET   1  -5.439  -4.557  -4.557
   66   1HB   MET   1           HB2      MET   1  -3.009  -5.695  -5.695
   67   2HB   MET   1           HB1      MET   1  -4.547  -6.519  -6.519
   68   1HG   MET   1           HG2      MET   1  -4.830  -7.033  -7.033
   69   2HG   MET   1           HG1      MET   1  -3.799  -5.711  -5.711
   70   1HE   MET   1           HE3      MET   1  -4.029  -8.777  -8.777
   71   2HE   MET   1           HE2      MET   1  -2.864  -7.829  -7.829
   72   3HE   MET   1           HE1      MET   1  -2.369  -9.359  -9.359
   73    H    GLU   2            HN      GLU   2  -6.341  -6.040  -6.040
   74    HA   GLU   2            HA      GLU   2  -6.858  -3.956  -3.956
   75   1HB   GLU   2           HB2      GLU   2  -8.638  -5.376  -5.376
   76   2HB   GLU   2           HB1      GLU   2  -8.784  -6.126  -6.126
   77   1HG   GLU   2           HG2      GLU   2  -9.480  -4.134  -4.134
   78   2HG   GLU   2           HG1      GLU   2  -8.791  -3.132  -3.132
   79    H    ALA   3            HN      ALA   3  -7.662  -5.225  -5.225
   80    HA   ALA   3            HA      ALA   3  -6.356  -7.770  -7.770
   81   1HB   ALA   3           HB1      ALA   3  -5.328  -5.233  -5.233
   82   2HB   ALA   3           HB3      ALA   3  -5.004  -6.812  -6.812
   83   3HB   ALA   3           HB2      ALA   3  -4.449  -6.450  -6.450
   84    H    ILE   4            HN      ILE   4  -7.797  -8.810  -8.810
   85    HA   ILE   4            HA      ILE   4  -9.984  -7.641  -7.641
   86    HB   ILE   4            HB      ILE   4 -10.110  -9.824  -9.824
   87   1HG1  ILE   4          HG12      ILE   4 -10.348 -10.694 -10.694
   88   2HG1  ILE   4          HG11      ILE   4 -11.083  -9.117  -9.117
   89   1HG2  ILE   4          HG23      ILE   4  -7.602 -10.235 -10.235
   90   2HG2  ILE   4          HG22      ILE   4  -8.548 -11.160 -11.160
   91   3HG2  ILE   4          HG21      ILE   4  -8.673 -11.519 -11.519
   92   1HD1  ILE   4          HD12      ILE   4 -11.556 -11.394 -11.394
   93   2HD1  ILE   4          HD11      ILE   4 -12.500 -11.235 -11.235
   94   3HD1  ILE   4          HD13      ILE   4 -12.534  -9.954  -9.954
   95    H    ALA   5            HN      ALA   5 -10.070  -6.743  -6.743
   96    HA   ALA   5            HA      ALA   5  -7.912  -7.038  -7.038
   97   1HB   ALA   5           HB1      ALA   5 -10.576  -5.599  -5.599
   98   2HB   ALA   5           HB3      ALA   5  -9.642  -5.769  -5.769
   99   3HB   ALA   5           HB2      ALA   5  -8.956  -4.905  -4.905
  100    H    LYS   6            HN      LYS   6  -7.889  -9.122  -9.122
  101    HA   LYS   6            HA      LYS   6 -10.097 -10.862 -10.862
  102   1HB   LYS   6           HB2      LYS   6  -7.534 -10.841 -10.841
  103   2HB   LYS   6           HB1      LYS   6  -8.638 -12.206 -12.206
  104   1HG   LYS   6           HG2      LYS   6  -8.095 -12.532 -12.532
  105   2HG   LYS   6           HG1      LYS   6  -7.515 -10.882 -10.882
  106   1HD   LYS   6           HD2      LYS   6  -5.558 -12.230 -12.230
  107   2HD   LYS   6           HD1      LYS   6  -5.662 -11.485 -11.485
  108   1HE   LYS   6           HE2      LYS   6  -6.152 -13.467 -13.467
  109   2HE   LYS   6           HE1      LYS   6  -7.062 -14.088 -14.088
  110   1HZ   LYS   6           HZ2      LYS   6  -4.121 -13.761 -13.761
  111   2HZ   LYS   6           HZ1      LYS   6  -4.859 -15.187 -15.187
  112   3HZ   LYS   6           HZ3      LYS   6  -5.102 -14.676 -14.676
  113    H    TYR   7            HN      TYR   7  -8.928  -8.356  -8.356
  114    HA   TYR   7            HA      TYR   7 -11.278  -8.919  -8.919
  115   1HB   TYR   7           HB2      TYR   7  -8.598  -8.473  -8.473
  116   2HB   TYR   7           HB1      TYR   7 -10.053  -9.147  -9.147
  117    HD1  TYR   7           HD2      TYR   7 -10.887 -11.414 -11.414
  118    HD2  TYR   7           HD1      TYR   7  -6.917  -9.870  -9.870
  119    HE1  TYR   7           HE2      TYR   7 -10.063 -13.692 -13.692
  120    HE2  TYR   7           HE1      TYR   7  -6.083 -12.134 -12.134
  121    HH   TYR   7            HH      TYR   7  -8.096 -14.676 -14.676
  122    H    ASP   8            HN      ASP   8 -10.975  -7.246  -7.246
  123    HA   ASP   8            HA      ASP   8 -11.227  -4.616  -4.616
  124   1HB   ASP   8           HB2      ASP   8 -12.180  -5.939  -5.939
  125   2HB   ASP   8           HB1      ASP   8 -11.369  -4.446  -4.446
  126    H    PHE   9            HN      PHE   9 -10.159  -2.726  -2.726
  127    HA   PHE   9            HA      PHE   9  -7.945  -2.767  -2.767
  128   1HB   PHE   9           HB2      PHE   9  -7.219  -4.071  -4.071
  129   2HB   PHE   9           HB1      PHE   9  -6.603  -2.441  -2.441
  130    HD1  PHE   9           HD1      PHE   9  -6.976  -4.541  -4.541
  131    HD2  PHE   9           HD2      PHE   9  -4.303  -2.459  -2.459
  132    HE1  PHE   9           HE1      PHE   9  -5.076  -5.038  -5.038
  133    HE2  PHE   9           HE2      PHE   9  -2.407  -2.950  -2.950
  134    HZ   PHE   9            HZ      PHE   9  -2.795  -4.240  -4.240
  135    H    LYS  10            HN      LYS  10  -6.459  -0.748  -0.748
  136    HA   LYS  10            HA      LYS  10  -7.885   1.378   1.378
  137   1HB   LYS  10           HB2      LYS  10  -8.379   1.120   1.120
  138   2HB   LYS  10           HB1      LYS  10  -6.993   2.211   2.211
  139   1HG   LYS  10           HG2      LYS  10  -8.336   3.461   3.461
  140   2HG   LYS  10           HG1      LYS  10  -9.718   2.627   2.627
  141   1HD   LYS  10           HD2      LYS  10  -9.705   4.554   4.554
  142   2HD   LYS  10           HD1      LYS  10  -8.663   3.520   3.520
  143   1HE   LYS  10           HE2      LYS  10  -6.705   4.480   4.480
  144   2HE   LYS  10           HE1      LYS  10  -7.844   5.703   5.703
  145   1HZ   LYS  10           HZ1      LYS  10  -8.314   6.255   6.255
  146   2HZ   LYS  10           HZ3      LYS  10  -7.158   5.124   5.124
  147   3HZ   LYS  10           HZ2      LYS  10  -6.675   6.489   6.489
  148    H    ALA  11            HN      ALA  11  -6.598   3.341   3.341
  149    HA   ALA  11            HA      ALA  11  -3.919   2.668   2.668
  150   1HB   ALA  11           HB3      ALA  11  -5.391   4.499   4.499
  151   2HB   ALA  11           HB2      ALA  11  -4.926   5.480   5.480
  152   3HB   ALA  11           HB1      ALA  11  -3.691   4.895   4.895
  153    H    THR  12            HN      THR  12  -2.064   2.864   2.864
  154    HA   THR  12            HA      THR  12  -2.424   3.973   3.973
  155    HB   THR  12            HB      THR  12  -0.580   2.572   2.572
  156    HG1  THR  12           HG1      THR  12   0.721   1.579   1.579
  157   1HG2  THR  12          HG21      THR  12  -2.470   1.113   1.113
  158   2HG2  THR  12          HG23      THR  12  -1.431   0.314   0.314
  159   3HG2  THR  12          HG22      THR  12  -2.703   1.411   1.411
  160    H    ALA  13            HN      ALA  13   0.063   3.798   3.798
  161    HA   ALA  13            HA      ALA  13   1.556   6.054   6.054
  162   1HB   ALA  13           HB1      ALA  13   1.715   4.392   4.392
  163   2HB   ALA  13           HB3      ALA  13   2.577   5.932   5.932
  164   3HB   ALA  13           HB2      ALA  13   2.942   4.655   4.655
  165    H    ASP  14            HN      ASP  14   1.960   7.957   7.957
  166    HA   ASP  14            HA      ASP  14  -0.437   9.380   9.380
  167   1HB   ASP  14           HB2      ASP  14   2.020  10.065  10.065
  168   2HB   ASP  14           HB1      ASP  14   2.164  10.165  10.165
  169    H    ASP  15            HN      ASP  15   1.433   7.253   7.253
  170    HA   ASP  15            HA      ASP  15  -0.122   8.043   8.043
  171   1HB   ASP  15           HB2      ASP  15   2.363   8.511   8.511
  172   2HB   ASP  15           HB1      ASP  15   2.595   6.764   6.764
  173    H    GLU  16            HN      GLU  16  -0.958   6.157   6.157
  174    HA   GLU  16            HA      GLU  16  -0.584   3.541   3.541
  175   1HB   GLU  16           HB2      GLU  16  -0.213   3.877   3.877
  176   2HB   GLU  16           HB1      GLU  16  -1.965   4.009   4.009
  177   1HG   GLU  16           HG2      GLU  16  -2.297   1.798   1.798
  178   2HG   GLU  16           HG1      GLU  16  -0.968   1.712   1.712
  179    H    LEU  17            HN      LEU  17  -2.693   2.172   2.172
  180    HA   LEU  17            HA      LEU  17  -4.910   3.922   3.922
  181   1HB   LEU  17           HB2      LEU  17  -3.543   1.958   1.958
  182   2HB   LEU  17           HB1      LEU  17  -5.013   1.131   1.131
  183    HG   LEU  17            HG      LEU  17  -4.995   3.831   3.831
  184   1HD1  LEU  17          HD12      LEU  17  -5.106   1.019   1.019
  185   2HD1  LEU  17          HD11      LEU  17  -5.927   2.330   2.330
  186   3HD1  LEU  17          HD13      LEU  17  -4.184   2.398   2.398
  187   1HD2  LEU  17          HD21      LEU  17  -7.058   1.986   1.986
  188   2HD2  LEU  17          HD23      LEU  17  -7.099   3.741   3.741
  189   3HD2  LEU  17          HD22      LEU  17  -7.416   2.710   2.710
  190    H    SER  18            HN      SER  18  -7.003   3.519   3.519
  191    HA   SER  18            HA      SER  18  -7.348   1.646   1.646
  192   1HB   SER  18           HB2      SER  18  -9.287   3.687   3.687
  193   2HB   SER  18           HB1      SER  18  -8.953   3.066   3.066
  194    HG   SER  18            HG      SER  18  -7.795   4.824   4.824
  195    H    PHE  19            HN      PHE  19  -8.976   0.032   0.032
  196    HA   PHE  19            HA      PHE  19 -10.925   0.109   0.109
  197   1HB   PHE  19           HB2      PHE  19 -10.119  -1.919  -1.919
  198   2HB   PHE  19           HB1      PHE  19  -8.942  -0.613  -0.613
  199    HD1  PHE  19           HD1      PHE  19  -9.815  -3.705  -3.705
  200    HD2  PHE  19           HD2      PHE  19  -6.750  -0.873  -0.873
  201    HE1  PHE  19           HE1      PHE  19  -8.107  -5.168  -5.168
  202    HE2  PHE  19           HE2      PHE  19  -5.045  -2.331  -2.331
  203    HZ   PHE  19            HZ      PHE  19  -5.724  -4.480  -4.480
  204    H    LYS  20            HN      LYS  20 -12.265  -1.926  -1.926
  205    HA   LYS  20            HA      LYS  20 -12.380  -3.083  -3.083
  206   1HB   LYS  20           HB2      LYS  20 -14.639  -2.788  -2.788
  207   2HB   LYS  20           HB1      LYS  20 -14.774  -3.255  -3.255
  208   1HG   LYS  20           HG2      LYS  20 -13.348  -0.756  -0.756
  209   2HG   LYS  20           HG1      LYS  20 -14.857  -0.636  -0.636
  210   1HD   LYS  20           HD2      LYS  20 -16.142  -1.331  -1.331
  211   2HD   LYS  20           HD1      LYS  20 -14.666  -1.656  -1.656
  212   1HE   LYS  20           HE2      LYS  20 -14.849   0.466   0.466
  213   2HE   LYS  20           HE1      LYS  20 -14.327   0.975   0.975
  214   1HZ   LYS  20           HZ1      LYS  20 -16.679   0.954   0.954
  215   2HZ   LYS  20           HZ3      LYS  20 -17.125   0.597   0.597
  216   3HZ   LYS  20           HZ2      LYS  20 -16.365   2.074   2.074
  217    H    ARG  21            HN      ARG  21 -13.799  -5.189  -5.189
  218    HA   ARG  21            HA      ARG  21 -12.265  -7.107  -7.107
  219   1HB   ARG  21           HB2      ARG  21 -13.329  -7.459  -7.459
  220   2HB   ARG  21           HB1      ARG  21 -14.901  -7.464  -7.464
  221   1HG   ARG  21           HG2      ARG  21 -14.520  -9.500  -9.500
  222   2HG   ARG  21           HG1      ARG  21 -12.769  -9.277  -9.277
  223   1HD   ARG  21           HD2      ARG  21 -12.565 -10.399 -10.399
  224   2HD   ARG  21           HD1      ARG  21 -13.657  -9.269  -9.269
  225    HE   ARG  21            HE      ARG  21 -14.473 -11.829 -11.829
  226   1HH1  ARG  21          HH11      ARG  21 -15.793  -8.846  -8.846
  227   2HH1  ARG  21          HH12      ARG  21 -17.040  -9.482  -9.482
  228   1HH2  ARG  21          HH21      ARG  21 -15.819 -12.726 -12.726
  229   2HH2  ARG  21          HH22      ARG  21 -17.055 -11.675 -11.675
  230    H    GLY  22            HN      GLY  22 -12.538  -6.912  -6.912
  231   1HA   GLY  22           HA2      GLY  22 -13.949  -7.931  -7.931
  232   2HA   GLY  22           HA1      GLY  22 -15.335  -7.165  -7.165
  233    H    ASP  23            HN      ASP  23 -12.808  -4.982  -4.982
  234    HA   ASP  23            HA      ASP  23 -13.855  -3.406  -3.406
  235   1HB   ASP  23           HB2      ASP  23 -12.343  -3.012  -3.012
  236   2HB   ASP  23           HB1      ASP  23 -11.846  -1.988  -1.988
  237    H    ILE  24            HN      ILE  24 -12.984  -4.544  -4.544
  238    HA   ILE  24            HA      ILE  24 -10.169  -5.176  -5.176
  239    HB   ILE  24            HB      ILE  24 -11.934  -4.830  -4.830
  240   1HG1  ILE  24          HG12      ILE  24 -11.899  -7.049  -7.049
  241   2HG1  ILE  24          HG11      ILE  24 -13.297  -6.181  -6.181
  242   1HG2  ILE  24          HG22      ILE  24  -9.315  -5.403  -5.403
  243   2HG2  ILE  24          HG21      ILE  24  -9.948  -7.026  -7.026
  244   3HG2  ILE  24          HG23      ILE  24 -10.318  -6.128  -6.128
  245   1HD1  ILE  24          HD12      ILE  24 -12.173  -7.310  -7.310
  246   2HD1  ILE  24          HD11      ILE  24 -11.967  -8.558  -8.558
  247   3HD1  ILE  24          HD13      ILE  24 -13.576  -7.928  -7.928
  248    H    LEU  25            HN      LEU  25  -8.552  -3.891  -3.891
  249    HA   LEU  25            HA      LEU  25  -9.078  -1.065  -1.065
  250   1HB   LEU  25           HB2      LEU  25  -6.484  -2.405  -2.405
  251   2HB   LEU  25           HB1      LEU  25  -6.840  -0.675  -0.675
  252    HG   LEU  25            HG      LEU  25  -8.871  -1.545  -1.545
  253   1HD1  LEU  25          HD12      LEU  25  -6.777  -3.677  -3.677
  254   2HD1  LEU  25          HD11      LEU  25  -7.537  -3.233  -3.233
  255   3HD1  LEU  25          HD13      LEU  25  -8.526  -3.825  -3.825
  256   1HD2  LEU  25          HD22      LEU  25  -7.189   0.172   0.172
  257   2HD2  LEU  25          HD21      LEU  25  -7.493  -0.922  -0.922
  258   3HD2  LEU  25          HD23      LEU  25  -6.033  -1.104  -1.104
  259    H    LYS  26            HN      LYS  26  -7.125  -0.054  -0.054
  260    HA   LYS  26            HA      LYS  26  -6.830  -1.727  -1.727
  261   1HB   LYS  26           HB2      LYS  26  -7.029   1.263   1.263
  262   2HB   LYS  26           HB1      LYS  26  -6.428   0.572   0.572
  263   1HG   LYS  26           HG2      LYS  26  -8.696  -0.896  -0.896
  264   2HG   LYS  26           HG1      LYS  26  -9.185   0.623   0.623
  265   1HD   LYS  26           HD2      LYS  26  -8.074   1.669   1.669
  266   2HD   LYS  26           HD1      LYS  26  -8.424   0.077   0.077
  267   1HE   LYS  26           HE2      LYS  26 -10.481   0.949   0.949
  268   2HE   LYS  26           HE1      LYS  26 -10.781   0.649   0.649
  269   1HZ   LYS  26           HZ3      LYS  26  -9.855   2.916   2.916
  270   2HZ   LYS  26           HZ2      LYS  26  -9.876   3.175   3.175
  271   3HZ   LYS  26           HZ1      LYS  26 -11.328   2.896   2.896
  272    H    VAL  27            HN      VAL  27  -4.828  -2.705  -2.705
  273    HA   VAL  27            HA      VAL  27  -2.677  -1.412  -1.412
  274    HB   VAL  27            HB      VAL  27  -3.025  -3.920  -3.920
  275   1HG1  VAL  27          HG11      VAL  27  -3.103  -3.542  -3.542
  276   2HG1  VAL  27          HG13      VAL  27  -1.345  -3.604  -3.604
  277   3HG1  VAL  27          HG12      VAL  27  -2.317  -4.982  -4.982
  278   1HG2  VAL  27          HG21      VAL  27  -0.418  -2.449  -2.449
  279   2HG2  VAL  27          HG23      VAL  27  -1.079  -3.328  -3.328
  280   3HG2  VAL  27          HG22      VAL  27  -0.435  -4.213  -4.213
  281    H    LEU  28            HN      LEU  28  -1.849   0.424   0.424
  282    HA   LEU  28            HA      LEU  28  -1.518   1.065   1.065
  283   1HB   LEU  28           HB2      LEU  28  -0.213   2.656   2.656
  284   2HB   LEU  28           HB1      LEU  28  -0.924   3.228   3.228
  285    HG   LEU  28            HG      LEU  28  -2.987   1.996   1.996
  286   1HD1  LEU  28          HD13      LEU  28  -1.316   4.119   4.119
  287   2HD1  LEU  28          HD12      LEU  28  -2.945   3.673   3.673
  288   3HD1  LEU  28          HD11      LEU  28  -1.642   2.487   2.487
  289   1HD2  LEU  28          HD21      LEU  28  -2.779   4.027   4.027
  290   2HD2  LEU  28          HD23      LEU  28  -4.168   3.802   3.802
  291   3HD2  LEU  28          HD22      LEU  28  -2.894   4.938   4.938
  292    H    ASN  29            HN      ASN  29   0.407  -0.035  -0.035
  293    HA   ASN  29            HA      ASN  29   2.689  -0.409  -0.409
  294   1HB   ASN  29           HB2      ASN  29   2.944   1.566   1.566
  295   2HB   ASN  29           HB1      ASN  29   3.187   0.305   0.305
  296   1HD2  ASN  29          HD22      ASN  29   6.495   1.257   1.257
  297   2HD2  ASN  29          HD21      ASN  29   5.271   2.167   2.167
  298    H    GLU  30            HN      GLU  30   3.218  -2.508  -2.508
  299    HA   GLU  30            HA      GLU  30   2.653  -4.223  -4.223
  300   1HB   GLU  30           HB2      GLU  30   2.974  -5.244  -5.244
  301   2HB   GLU  30           HB1      GLU  30   2.245  -6.069  -6.069
  302   1HG   GLU  30           HG2      GLU  30   0.241  -5.330  -5.330
  303   2HG   GLU  30           HG1      GLU  30   0.747  -3.711  -3.711
  304    H    GLU  31            HN      GLU  31   4.892  -2.966  -2.966
  305    HA   GLU  31            HA      GLU  31   7.105  -4.599  -4.599
  306   1HB   GLU  31           HB2      GLU  31   6.980  -1.875  -1.875
  307   2HB   GLU  31           HB1      GLU  31   8.510  -2.739  -2.739
  308   1HG   GLU  31           HG2      GLU  31   6.758  -2.511  -2.511
  309   2HG   GLU  31           HG1      GLU  31   7.693  -1.100  -1.100
  310    H    CYS  32            HN      CYS  32   8.937  -5.026  -5.026
  311    HA   CYS  32            HA      CYS  32   7.841  -6.501  -6.501
  312   1HB   CYS  32           HB2      CYS  32  10.660  -5.778  -5.778
  313   2HB   CYS  32           HB1      CYS  32  10.306  -6.687  -6.687
  314    HG   CYS  32            HG      CYS  32   8.929  -8.326  -8.326
  315    H    ASP  33            HN      ASP  33   8.327  -6.074  -6.074
  316    HA   ASP  33            HA      ASP  33   9.357  -3.662  -3.662
  317   1HB   ASP  33           HB2      ASP  33   6.974  -3.208  -3.208
  318   2HB   ASP  33           HB1      ASP  33   6.443  -3.816  -3.816
  319    H    GLN  34            HN      GLN  34   7.570  -3.631  -3.631
  320    HA   GLN  34            HA      GLN  34   8.683  -6.033  -6.033
  321   1HB   GLN  34           HB2      GLN  34   7.955  -5.006  -5.006
  322   2HB   GLN  34           HB1      GLN  34   9.071  -3.998  -3.998
  323   1HG   GLN  34           HG2      GLN  34   7.462  -2.466  -2.466
  324   2HG   GLN  34           HG1      GLN  34   6.175  -3.667  -3.667
  325   1HE2  GLN  34          HE22      GLN  34   7.370  -2.522  -2.522
  326   2HE2  GLN  34          HE21      GLN  34   8.543  -2.921  -2.921
  327    H    ASN  35            HN      ASN  35   6.650  -6.609  -6.609
  328    HA   ASN  35            HA      ASN  35   4.825  -8.013  -8.013
  329   1HB   ASN  35           HB2      ASN  35   5.225  -7.996  -7.996
  330   2HB   ASN  35           HB1      ASN  35   3.672  -8.524  -8.524
  331   1HD2  ASN  35          HD22      ASN  35   6.825 -10.639 -10.639
  332   2HD2  ASN  35          HD21      ASN  35   6.854  -8.942  -8.942
  333    H    TRP  36            HN      TRP  36   4.575  -5.076  -5.076
  334    HA   TRP  36            HA      TRP  36   1.599  -4.996  -4.996
  335   1HB   TRP  36           HB2      TRP  36   3.332  -2.548  -2.548
  336   2HB   TRP  36           HB1      TRP  36   1.573  -2.654  -2.654
  337    HD1  TRP  36           HD1      TRP  36   4.416  -4.852  -4.852
  338    HE1  TRP  36           HE1      TRP  36   4.075  -5.069  -5.069
  339    HE3  TRP  36           HE3      TRP  36   0.226  -1.945  -1.945
  340    HZ2  TRP  36           HZ2      TRP  36   2.354  -4.128  -4.128
  341    HZ3  TRP  36           HZ3      TRP  36  -0.689  -1.607  -1.607
  342    HH2  TRP  36           HH2      TRP  36   0.354  -2.701  -2.701
  343    H    TYR  37            HN      TYR  37   0.559  -4.185  -4.185
  344    HA   TYR  37            HA      TYR  37   2.201  -3.554  -3.554
  345   1HB   TYR  37           HB2      TYR  37  -0.772  -3.907  -3.907
  346   2HB   TYR  37           HB1      TYR  37  -0.092  -3.401  -3.401
  347    HD1  TYR  37           HD1      TYR  37   2.260  -5.075  -5.075
  348    HD2  TYR  37           HD2      TYR  37  -1.567  -6.044  -6.044
  349    HE1  TYR  37           HE1      TYR  37   2.556  -7.447  -7.447
  350    HE2  TYR  37           HE2      TYR  37  -1.280  -8.406  -8.406
  351    HH   TYR  37            HH      TYR  37   0.207  -9.576  -9.576
  352    H    LYS  38            HN      LYS  38   1.035  -1.809  -1.809
  353    HA   LYS  38            HA      LYS  38   0.368   0.602   0.602
  354   1HB   LYS  38           HB2      LYS  38   2.561   0.587   0.587
  355   2HB   LYS  38           HB1      LYS  38   1.433   0.745   0.745
  356   1HG   LYS  38           HG2      LYS  38   0.464   2.601   2.601
  357   2HG   LYS  38           HG1      LYS  38   2.207   2.718   2.718
  358   1HD   LYS  38           HD2      LYS  38   1.757   2.549   2.549
  359   2HD   LYS  38           HD1      LYS  38   0.614   3.732   3.732
  360   1HE   LYS  38           HE2      LYS  38   2.559   4.786   4.786
  361   2HE   LYS  38           HE1      LYS  38   3.623   3.733   3.733
  362   1HZ   LYS  38           HZ1      LYS  38   2.634   4.667   4.667
  363   2HZ   LYS  38           HZ3      LYS  38   1.720   5.738   5.738
  364   3HZ   LYS  38           HZ2      LYS  38   3.415   5.848   5.848
  365    H    ALA  39            HN      ALA  39  -1.745   1.284   1.284
  366    HA   ALA  39            HA      ALA  39  -2.933   0.768   0.768
  367   1HB   ALA  39           HB2      ALA  39  -3.107  -1.394  -1.394
  368   2HB   ALA  39           HB1      ALA  39  -4.108  -0.566  -0.566
  369   3HB   ALA  39           HB3      ALA  39  -4.668  -0.708  -0.708
  370    H    GLU  40            HN      GLU  40  -5.476   1.065   1.065
  371    HA   GLU  40            HA      GLU  40  -5.891   3.369   3.369
  372   1HB   GLU  40           HB2      GLU  40  -5.550   4.920   4.920
  373   2HB   GLU  40           HB1      GLU  40  -4.878   3.656   3.656
  374   1HG   GLU  40           HG2      GLU  40  -7.075   3.340   3.340
  375   2HG   GLU  40           HG1      GLU  40  -7.822   4.468   4.468
  376    H    LEU  41            HN      LEU  41  -7.806   3.499   3.499
  377    HA   LEU  41            HA      LEU  41  -9.938   1.811   1.811
  378   1HB   LEU  41           HB2      LEU  41  -9.369   2.793   2.793
  379   2HB   LEU  41           HB1      LEU  41 -11.066   2.569   2.569
  380    HG   LEU  41            HG      LEU  41  -9.033   0.481   0.481
  381   1HD1  LEU  41          HD12      LEU  41  -8.867   0.986   0.986
  382   2HD1  LEU  41          HD11      LEU  41 -10.612   0.779   0.779
  383   3HD1  LEU  41          HD13      LEU  41  -9.595  -0.598  -0.598
  384   1HD2  LEU  41          HD22      LEU  41 -11.401   0.589   0.589
  385   2HD2  LEU  41          HD21      LEU  41 -10.951  -0.925  -0.925
  386   3HD2  LEU  41          HD23      LEU  41 -11.964   0.249   0.249
  387    H    ASN  42            HN      ASN  42 -10.710   2.891   2.891
  388    HA   ASN  42            HA      ASN  42 -11.873   4.562   4.562
  389   1HB   ASN  42           HB2      ASN  42 -13.195   3.993   3.993
  390   2HB   ASN  42           HB1      ASN  42 -13.812   5.355   5.355
  391   1HD2  ASN  42          HD22      ASN  42 -15.046   1.768   1.768
  392   2HD2  ASN  42          HD21      ASN  42 -14.542   2.237   2.237
  393    H    GLY  43            HN      GLY  43  -9.631   5.745   5.745
  394   1HA   GLY  43           HA2      GLY  43  -9.627   8.376   8.376
  395   2HA   GLY  43           HA1      GLY  43 -10.780   8.362   8.362
  396    H    LYS  44            HN      LYS  44  -9.414   6.276   6.276
  397    HA   LYS  44            HA      LYS  44  -7.265   7.896   7.896
  398   1HB   LYS  44           HB2      LYS  44  -8.931   5.628   5.628
  399   2HB   LYS  44           HB1      LYS  44  -7.307   5.867   5.867
  400   1HG   LYS  44           HG2      LYS  44  -7.772   8.001   8.001
  401   2HG   LYS  44           HG1      LYS  44  -9.195   8.183   8.183
  402   1HD   LYS  44           HD2      LYS  44  -9.942   7.770   7.770
  403   2HD   LYS  44           HD1      LYS  44 -10.301   6.344   6.344
  404   1HE   LYS  44           HE2      LYS  44  -9.289   5.381   5.381
  405   2HE   LYS  44           HE1      LYS  44  -7.920   5.569   5.569
  406   1HZ   LYS  44           HZ2      LYS  44  -8.639   7.725   7.725
  407   2HZ   LYS  44           HZ1      LYS  44  -7.704   6.408   6.408
  408   3HZ   LYS  44           HZ3      LYS  44  -7.140   7.396   7.396
  409    H    ASP  45            HN      ASP  45  -5.386   6.518   6.518
  410    HA   ASP  45            HA      ASP  45  -4.758   4.216   4.216
  411   1HB   ASP  45           HB2      ASP  45  -3.651   5.022   5.022
  412   2HB   ASP  45           HB1      ASP  45  -4.670   6.415   6.415
  413    H    GLY  46            HN      GLY  46  -2.190   3.923   3.923
  414   1HA   GLY  46           HA2      GLY  46  -0.179   4.659   4.659
  415   2HA   GLY  46           HA1      GLY  46  -1.249   4.670   4.670
  416    H    PHE  47            HN      PHE  47   0.588   3.199   3.199
  417    HA   PHE  47            HA      PHE  47   0.901   0.583   0.583
  418   1HB   PHE  47           HB2      PHE  47   1.461   1.564   1.564
  419   2HB   PHE  47           HB1      PHE  47   2.057   0.054   0.054
  420    HD1  PHE  47           HD1      PHE  47   3.164   0.418   0.418
  421    HD2  PHE  47           HD2      PHE  47   2.941   3.350   3.350
  422    HE1  PHE  47           HE1      PHE  47   5.079   1.633   1.633
  423    HE2  PHE  47           HE2      PHE  47   4.856   4.566   4.566
  424    HZ   PHE  47            HZ      PHE  47   5.925   3.707   3.707
  425    H    ILE  48            HN      ILE  48   0.148  -1.457  -1.457
  426    HA   ILE  48            HA      ILE  48  -2.039  -1.367  -1.367
  427    HB   ILE  48            HB      ILE  48  -3.438  -2.828  -2.828
  428   1HG1  ILE  48          HG12      ILE  48  -1.452  -1.849  -1.849
  429   2HG1  ILE  48          HG11      ILE  48  -1.577  -3.510  -3.510
  430   1HG2  ILE  48          HG22      ILE  48  -3.389  -0.141  -0.141
  431   2HG2  ILE  48          HG21      ILE  48  -3.041  -0.275  -0.275
  432   3HG2  ILE  48          HG23      ILE  48  -4.518  -0.975  -0.975
  433   1HD1  ILE  48          HD11      ILE  48  -4.199  -2.817  -2.817
  434   2HD1  ILE  48          HD13      ILE  48  -3.182  -2.143  -2.143
  435   3HD1  ILE  48          HD12      ILE  48  -3.101  -3.863  -3.863
  436    HA   PRO  49            HA      PRO  49   0.413  -4.917  -4.917
  437   1HB   PRO  49           HB2      PRO  49  -1.222  -6.011  -6.011
  438   2HB   PRO  49           HB1      PRO  49  -0.080  -4.678  -4.678
  439   1HG   PRO  49           HG2      PRO  49  -3.069  -4.582  -4.582
  440   2HG   PRO  49           HG1      PRO  49  -2.005  -3.496  -3.496
  441   1HD   PRO  49           HD2      PRO  49  -3.082  -2.900  -2.900
  442   2HD   PRO  49           HD1      PRO  49  -1.706  -2.094  -2.094
  443    H    LYS  50            HN      LYS  50   0.475  -6.373  -6.373
  444    HA   LYS  50            HA      LYS  50  -1.492  -7.539  -7.539
  445   1HB   LYS  50           HB2      LYS  50   1.145  -7.663  -7.663
  446   2HB   LYS  50           HB1      LYS  50   0.824  -9.210  -9.210
  447   1HG   LYS  50           HG2      LYS  50  -0.330 -10.036 -10.036
  448   2HG   LYS  50           HG1      LYS  50  -0.557  -8.418  -8.418
  449   1HD   LYS  50           HD2      LYS  50   1.572  -8.354  -8.354
  450   2HD   LYS  50           HD1      LYS  50   2.276  -9.240  -9.240
  451   1HE   LYS  50           HE2      LYS  50   1.483 -11.342 -11.342
  452   2HE   LYS  50           HE1      LYS  50   0.506 -10.539 -10.539
  453   1HZ   LYS  50           HZ2      LYS  50   2.764  -9.538  -9.538
  454   2HZ   LYS  50           HZ1      LYS  50   3.428 -10.854 -10.854
  455   3HZ   LYS  50           HZ3      LYS  50   2.380 -11.128 -11.128
  456    H    ASN  51            HN      ASN  51  -0.842  -8.405  -8.405
  457    HA   ASN  51            HA      ASN  51  -1.751 -11.024 -11.024
  458   1HB   ASN  51           HB2      ASN  51  -1.295  -8.990  -8.990
  459   2HB   ASN  51           HB1      ASN  51  -2.286 -10.326 -10.326
  460   1HD2  ASN  51          HD22      ASN  51   0.467 -12.698 -12.698
  461   2HD2  ASN  51          HD21      ASN  51  -1.171 -12.545 -12.545
  462    H    TYR  52            HN      TYR  52  -3.383  -8.011  -8.011
  463    HA   TYR  52            HA      TYR  52  -6.015  -9.269  -9.269
  464   1HB   TYR  52           HB2      TYR  52  -5.118  -6.384  -6.384
  465   2HB   TYR  52           HB1      TYR  52  -6.787  -6.876  -6.876
  466    HD1  TYR  52           HD1      TYR  52  -3.445  -7.632  -7.632
  467    HD2  TYR  52           HD2      TYR  52  -7.590  -6.826  -6.826
  468    HE1  TYR  52           HE1      TYR  52  -3.132  -7.631  -7.631
  469    HE2  TYR  52           HE2      TYR  52  -7.295  -6.830  -6.830
  470    HH   TYR  52            HH      TYR  52  -4.169  -6.830  -6.830
  471    H    ILE  53            HN      ILE  53  -4.287  -9.416  -9.416
  472    HA   ILE  53            HA      ILE  53  -6.360  -8.575  -8.575
  473    HB   ILE  53            HB      ILE  53  -3.747  -7.634  -7.634
  474   1HG1  ILE  53          HG12      ILE  53  -5.355  -5.986  -5.986
  475   2HG1  ILE  53          HG11      ILE  53  -3.881  -6.847  -6.847
  476   1HG2  ILE  53          HG22      ILE  53  -6.601  -6.977  -6.977
  477   2HG2  ILE  53          HG21      ILE  53  -5.458  -5.652  -5.652
  478   3HG2  ILE  53          HG23      ILE  53  -5.314  -7.079  -7.079
  479   1HD1  ILE  53          HD11      ILE  53  -3.073  -5.549  -5.549
  480   2HD1  ILE  53          HD13      ILE  53  -4.236  -4.398  -4.398
  481   3HD1  ILE  53          HD12      ILE  53  -2.864  -4.913  -4.913
  482    H    GLU  54            HN      GLU  54  -5.709  -9.003  -9.003
  483    HA   GLU  54            HA      GLU  54  -3.758 -11.015 -11.015
  484   1HB   GLU  54           HB2      GLU  54  -6.558 -11.662 -11.662
  485   2HB   GLU  54           HB1      GLU  54  -5.945 -12.107 -12.107
  486   1HG   GLU  54           HG2      GLU  54  -4.172 -13.430 -13.430
  487   2HG   GLU  54           HG1      GLU  54  -4.604 -12.876 -12.876
  488    H    MET  55            HN      MET  55  -3.477 -11.268 -11.268
  489    HA   MET  55            HA      MET  55  -4.206  -8.723  -8.723
  490   1HB   MET  55           HB2      MET  55  -1.809  -9.840  -9.840
  491   2HB   MET  55           HB1      MET  55  -2.357 -10.702 -10.702
  492   1HG   MET  55           HG2      MET  55  -2.673  -8.693  -8.693
  493   2HG   MET  55           HG1      MET  55  -2.601  -7.703  -7.703
  494   1HE   MET  55           HE2      MET  55  -1.284  -8.906  -8.906
  495   2HE   MET  55           HE1      MET  55   0.419  -8.460  -8.460
  496   3HE   MET  55           HE3      MET  55  -0.057 -10.067 -10.067
  497    H    LYS  56            HN      LYS  56  -6.043  -8.786  -8.786
  498    HA   LYS  56            HA      LYS  56  -6.705 -11.206 -11.206
  499   1HB   LYS  56           HB2      LYS  56  -8.210  -8.906  -8.906
  500   2HB   LYS  56           HB1      LYS  56  -8.792  -9.676  -9.676
  501   1HG   LYS  56           HG2      LYS  56  -8.998 -11.792 -11.792
  502   2HG   LYS  56           HG1      LYS  56  -8.036 -11.254 -11.254
  503   1HD   LYS  56           HD2      LYS  56 -10.430 -11.303 -11.303
  504   2HD   LYS  56           HD1      LYS  56  -9.822  -9.649  -9.649
  505   1HE   LYS  56           HE2      LYS  56 -11.959  -9.663  -9.663
  506   2HE   LYS  56           HE1      LYS  56 -10.681  -9.363  -9.363
  507   1HZ   LYS  56           HZ1      LYS  56 -11.484 -12.138 -12.138
  508   2HZ   LYS  56           HZ3      LYS  56 -12.521 -11.166 -11.166
  509   3HZ   LYS  56           HZ2      LYS  56 -10.918 -11.417 -11.417
  510    HA   PRO  57            HA      PRO  57  -5.547  -9.459  -9.459
  511   1HB   PRO  57           HB2      PRO  57  -6.944 -11.018 -11.018
  512   2HB   PRO  57           HB1      PRO  57  -5.472 -11.539 -11.539
  513   1HG   PRO  57           HG2      PRO  57  -8.292 -12.242 -12.242
  514   2HG   PRO  57           HG1      PRO  57  -6.828 -13.148 -13.148
  515   1HD   PRO  57           HD2      PRO  57  -8.314 -11.670 -11.670
  516   2HD   PRO  57           HD1      PRO  57  -6.672 -12.307 -12.307
  517    H    HIS  58            HN      HIS  58  -6.903  -9.131  -9.131
  518    HA   HIS  58            HA      HIS  58  -9.411  -7.658  -7.658
  519   1HB   HIS  58           HB2      HIS  58  -6.871  -6.542  -6.542
  520   2HB   HIS  58           HB1      HIS  58  -8.186  -6.180  -6.180
  521    HD1  HIS  58           HD1      HIS  58  -8.813  -3.818  -3.818
  522    HD2  HIS  58           HD2      HIS  58  -8.435  -6.206  -6.206
  523    HE1  HIS  58           HE1      HIS  58  -9.577  -2.403  -2.403
  524    HA   PRO  59            HA      PRO  59 -10.123 -10.378 -10.378
  525   1HB   PRO  59           HB2      PRO  59 -12.835 -10.651 -10.651
  526   2HB   PRO  59           HB1      PRO  59 -11.620 -11.654 -11.654
  527   1HG   PRO  59           HG2      PRO  59 -13.251  -9.409  -9.409
  528   2HG   PRO  59           HG1      PRO  59 -12.550 -10.806 -10.806
  529   1HD   PRO  59           HD2      PRO  59 -11.496  -8.182  -8.182
  530   2HD   PRO  59           HD1      PRO  59 -10.636  -9.650  -9.650
  531    H    GLU  60            HN      GLU  60 -13.097  -8.479  -8.479
  532    HA   GLU  60            HA      GLU  60 -12.434  -6.557  -6.557
  533   1HB   GLU  60           HB2      GLU  60 -14.145  -8.945  -8.945
  534   2HB   GLU  60           HB1      GLU  60 -14.704  -7.407  -7.407
  535   1HG   GLU  60           HG2      GLU  60 -11.906  -7.567  -7.567
  536   2HG   GLU  60           HG1      GLU  60 -12.604  -9.124  -9.124
  537    H    PHE  61            HN      PHE  61 -14.488  -5.181  -5.181
  538    HA   PHE  61            HA      PHE  61 -16.346  -5.120  -5.120
  539   1HB   PHE  61           HB2      PHE  61 -14.388  -3.604  -3.604
  540   2HB   PHE  61           HB1      PHE  61 -14.841  -2.663  -2.663
  541    HD1  PHE  61           HD1      PHE  61 -16.308  -4.054  -4.054
  542    HD2  PHE  61           HD2      PHE  61 -16.389  -0.924  -0.924
  543    HE1  PHE  61           HE1      PHE  61 -18.006  -2.841  -2.841
  544    HE2  PHE  61           HE2      PHE  61 -18.087   0.290   0.290
  545    HZ   PHE  61            HZ      PHE  61 -18.895  -0.669  -0.669
  546    H    ILE  62            HN      ILE  62 -18.306  -5.205  -5.205
  547    HA   ILE  62            HA      ILE  62 -18.757  -3.447  -3.447
  548    HB   ILE  62            HB      ILE  62 -18.598  -5.826  -5.826
  549   1HG1  ILE  62          HG12      ILE  62 -21.175  -5.926  -5.926
  550   2HG1  ILE  62          HG11      ILE  62 -21.122  -4.250  -4.250
  551   1HG2  ILE  62          HG23      ILE  62 -19.458  -6.660  -6.660
  552   2HG2  ILE  62          HG22      ILE  62 -21.077  -6.331  -6.331
  553   3HG2  ILE  62          HG21      ILE  62 -20.044  -7.510  -7.510
  554   1HD1  ILE  62          HD11      ILE  62 -18.906  -5.259  -5.259
  555   2HD1  ILE  62          HD13      ILE  62 -20.459  -4.871  -4.871
  556   3HD1  ILE  62          HD12      ILE  62 -19.567  -3.629  -3.629
  557    H    VAL  63            HN      VAL  63 -20.582  -2.179  -2.179
  558    HA   VAL  63            HA      VAL  63 -22.580  -2.814  -2.814
  559    HB   VAL  63            HB      VAL  63 -21.448  -0.048  -0.048
  560   1HG1  VAL  63          HG13      VAL  63 -23.444  -1.190  -1.190
  561   2HG1  VAL  63          HG12      VAL  63 -22.643   0.360   0.360
  562   3HG1  VAL  63          HG11      VAL  63 -23.681   0.131   0.131
  563   1HG2  VAL  63          HG22      VAL  63 -19.793  -1.579  -1.579
  564   2HG2  VAL  63          HG21      VAL  63 -20.314  -0.303  -0.303
  565   3HG2  VAL  63          HG23      VAL  63 -20.963  -1.933  -1.933
  566    H    THR  64            HN      THR  64 -24.146  -3.419  -3.419
  567    HA   THR  64            HA      THR  64 -24.943  -1.318  -1.318
  568    HB   THR  64            HB      THR  64 -26.120  -3.266  -3.266
  569    HG1  THR  64           HG1      THR  64 -25.615  -5.283  -5.283
  570   1HG2  THR  64          HG23      THR  64 -23.711  -2.274  -2.274
  571   2HG2  THR  64          HG22      THR  64 -23.187  -3.846  -3.846
  572   3HG2  THR  64          HG21      THR  64 -24.223  -3.749  -3.749
  573    H    ASP  65            HN      ASP  65 -26.055  -3.480  -3.480
  574    HA   ASP  65            HA      ASP  65 -28.043  -3.495  -3.495
  575   1HB   ASP  65           HB2      ASP  65 -27.404  -1.031  -1.031
  576   2HB   ASP  65           HB1      ASP  65 -28.534  -0.735  -0.735
  577   1H    SER   1           HT2      SER   1  -5.406 -15.956 -15.956
  578   2H    SER   1           HT1      SER   1  -4.080 -16.733 -16.733
  579   3H    SER   1           HT3      SER   1  -4.805 -15.410 -15.410
  580    HA   SER   1            HA      SER   1  -3.898 -13.873 -13.873
  581   1HB   SER   1           HB2      SER   1  -2.094 -14.863 -14.863
  582   2HB   SER   1           HB1      SER   1  -1.954 -16.200 -16.200
  583    HG   SER   1            HG      SER   1  -1.230 -13.496 -13.496
  584    HA   PRO   2            HA      PRO   2  -4.813 -15.701 -15.701
  585   1HB   PRO   2           HB2      PRO   2  -6.298 -13.575 -13.575
  586   2HB   PRO   2           HB1      PRO   2  -6.984 -14.931 -14.931
  587   1HG   PRO   2           HG2      PRO   2  -6.429 -12.143 -12.143
  588   2HG   PRO   2           HG1      PRO   2  -7.620 -13.308 -13.308
  589   1HD   PRO   2           HD2      PRO   2  -5.133 -12.694 -12.694
  590   2HD   PRO   2           HD1      PRO   2  -6.183 -14.069 -14.069
  591    H    LEU   3            HN      LEU   3  -3.703 -15.220 -15.220
  592    HA   LEU   3            HA      LEU   3  -1.704 -13.059 -13.059
  593   1HB   LEU   3           HB2      LEU   3  -1.073 -15.348 -15.348
  594   2HB   LEU   3           HB1      LEU   3  -2.125 -15.147 -15.147
  595    HG   LEU   3            HG      LEU   3  -0.253 -12.902 -12.902
  596   1HD1  LEU   3          HD13      LEU   3   0.817 -15.677 -15.677
  597   2HD1  LEU   3          HD12      LEU   3   1.722 -14.178 -14.178
  598   3HD1  LEU   3          HD11      LEU   3   1.220 -14.685 -14.685
  599   1HD2  LEU   3          HD22      LEU   3  -1.376 -14.613 -14.613
  600   2HD2  LEU   3          HD21      LEU   3  -1.197 -12.859 -12.859
  601   3HD2  LEU   3          HD23      LEU   3   0.193 -13.872 -13.872
  602    H    LEU   4            HN      LEU   4  -4.855 -13.383 -13.383
  603    HA   LEU   4            HA      LEU   4  -4.748 -12.026 -12.026
  604   1HB   LEU   4           HB2      LEU   4  -6.771 -12.978 -12.978
  605   2HB   LEU   4           HB1      LEU   4  -7.011 -11.236 -11.236
  606    HG   LEU   4            HG      LEU   4  -6.478 -12.295 -12.295
  607   1HD1  LEU   4          HD12      LEU   4  -8.185 -13.819 -13.819
  608   2HD1  LEU   4          HD11      LEU   4  -9.285 -12.474 -12.474
  609   3HD1  LEU   4          HD13      LEU   4  -8.540 -13.319 -13.319
  610   1HD2  LEU   4          HD23      LEU   4  -7.032  -9.861  -9.861
  611   2HD2  LEU   4          HD22      LEU   4  -7.774 -10.452 -10.452
  612   3HD2  LEU   4          HD21      LEU   4  -8.695 -10.447 -10.447
  613    HA   PRO   5            HA      PRO   5  -5.038  -7.836  -7.836
  614   1HB   PRO   5           HB2      PRO   5  -4.620  -7.761  -7.761
  615   2HB   PRO   5           HB1      PRO   5  -6.218  -7.935  -7.935
  616   1HG   PRO   5           HG2      PRO   5  -4.552 -10.000 -10.000
  617   2HG   PRO   5           HG1      PRO   5  -6.312  -9.927  -9.927
  618   1HD   PRO   5           HD2      PRO   5  -4.540 -11.537 -11.537
  619   2HD   PRO   5           HD1      PRO   5  -6.239 -11.209 -11.209
  620    H    LYS   6            HN      LYS   6  -3.328  -6.325  -6.325
  621    HA   LYS   6            HA      LYS   6  -1.106  -5.601  -5.601
  622   1HB   LYS   6           HB2      LYS   6  -0.686  -8.068  -8.068
  623   2HB   LYS   6           HB1      LYS   6   0.345  -6.639  -6.639
  624   1HG   LYS   6           HG2      LYS   6  -1.673  -5.281  -5.281
  625   2HG   LYS   6           HG1      LYS   6  -2.500  -6.810  -6.810
  626   1HD   LYS   6           HD2      LYS   6   0.209  -6.582  -6.582
  627   2HD   LYS   6           HD1      LYS   6  -1.013  -5.515  -5.515
  628   1HE   LYS   6           HE2      LYS   6  -1.865  -8.320  -8.320
  629   2HE   LYS   6           HE1      LYS   6  -0.662  -8.078  -8.078
  630   1HZ   LYS   6           HZ2      LYS   6  -3.035  -6.341  -6.341
  631   2HZ   LYS   6           HZ1      LYS   6  -3.157  -7.885  -7.885
  632   3HZ   LYS   6           HZ3      LYS   6  -2.075  -6.749  -6.749
  633    H    LEU   7            HN      LEU   7   1.013  -6.061  -6.061
  634    HA   LEU   7            HA      LEU   7   1.014  -8.454  -8.454
  635   1HB   LEU   7           HB2      LEU   7   2.110  -5.660  -5.660
  636   2HB   LEU   7           HB1      LEU   7   2.655  -7.009  -7.009
  637    HG   LEU   7            HG      LEU   7   0.843  -5.811  -5.811
  638   1HD1  LEU   7          HD12      LEU   7   1.035  -8.404  -8.404
  639   2HD1  LEU   7          HD11      LEU   7  -0.421  -8.344  -8.344
  640   3HD1  LEU   7          HD13      LEU   7  -0.438  -7.670  -7.670
  641   1HD2  LEU   7          HD22      LEU   7  -0.147  -5.276  -5.276
  642   2HD2  LEU   7          HD21      LEU   7  -1.130  -5.197  -5.197
  643   3HD2  LEU   7          HD23      LEU   7  -1.184  -6.634  -6.634
  644    HA   PRO   8            HA      PRO   8   4.565  -9.051  -9.051
  645   1HB   PRO   8           HB2      PRO   8   4.394 -11.795 -11.795
  646   2HB   PRO   8           HB1      PRO   8   3.483 -10.719 -10.719
  647   1HG   PRO   8           HG2      PRO   8   2.508 -12.284 -12.284
  648   2HG   PRO   8           HG1      PRO   8   1.614 -11.728 -11.728
  649   1HD   PRO   8           HD2      PRO   8   1.558 -10.525 -10.525
  650   2HD   PRO   8           HD1      PRO   8   0.941  -9.808  -9.808
  651    HA   PRO   9            HA      PRO   9   7.348 -10.097 -10.097
  652   1HB   PRO   9           HB2      PRO   9   9.652 -10.493 -10.493
  653   2HB   PRO   9           HB1      PRO   9   8.980  -8.892  -8.892
  654   1HG   PRO   9           HG2      PRO   9   8.962 -10.397 -10.397
  655   2HG   PRO   9           HG1      PRO   9   8.867  -8.651  -8.651
  656   1HD   PRO   9           HD2      PRO   9   6.687 -10.365 -10.365
  657   2HD   PRO   9           HD1      PRO   9   6.576  -8.682  -8.682
  658    H    LYS  10            HN      LYS  10   8.648 -12.082 -12.082
  659    HA   LYS  10            HA      LYS  10   8.939 -14.402 -14.402
  660   1HB   LYS  10           HB2      LYS  10   9.026 -14.220 -14.220
  661   2HB   LYS  10           HB1      LYS  10   9.654 -15.545 -15.545
  662   1HG   LYS  10           HG2      LYS  10  11.124 -13.817 -13.817
  663   2HG   LYS  10           HG1      LYS  10  10.656 -12.695 -12.695
  664   1HD   LYS  10           HD2      LYS  10  11.391 -14.610 -14.610
  665   2HD   LYS  10           HD1      LYS  10  12.261 -15.231 -15.231
  666   1HE   LYS  10           HE2      LYS  10  12.556 -12.333 -12.333
  667   2HE   LYS  10           HE1      LYS  10  13.426 -13.522 -13.522
  668   1HZ   LYS  10           HZ1      LYS  10  14.144 -14.461 -14.461
  669   2HZ   LYS  10           HZ3      LYS  10  13.664 -12.963 -12.963
  670   3HZ   LYS  10           HZ2      LYS  10  14.887 -13.033 -13.033
  671    H    THR  11            HN      THR  11   8.057 -16.556 -16.556
  672    HA   THR  11            HA      THR  11   6.171 -17.920 -17.920
  673    HB   THR  11            HB      THR  11   4.491 -17.156 -17.156
  674    HG1  THR  11           HG1      THR  11   3.873 -15.068 -15.068
  675   1HG2  THR  11          HG23      THR  11   7.059 -16.891 -16.891
  676   2HG2  THR  11          HG22      THR  11   6.582 -15.200 -15.200
  677   3HG2  THR  11          HG21      THR  11   5.755 -16.435 -16.435
  678    H    TYR  12            HN      TYR  12   3.731 -18.071 -18.071
  679    HA   TYR  12            HA      TYR  12   2.625 -16.287 -16.287
  680   1HB   TYR  12           HB2      TYR  12   2.941 -17.707 -17.707
  681   2HB   TYR  12           HB1      TYR  12   4.459 -17.040 -17.040
  682    HD1  TYR  12           HD1      TYR  12   6.056 -18.473 -18.473
  683    HD2  TYR  12           HD2      TYR  12   2.488 -20.075 -20.075
  684    HE1  TYR  12           HE1      TYR  12   6.974 -20.766 -20.766
  685    HE2  TYR  12           HE2      TYR  12   3.403 -22.368 -22.368
  686    HH   TYR  12            HH      TYR  12   5.989 -23.129 -23.129
  687    H    LYS  13            HN      LYS  13   0.820 -17.541 -17.541
  688    HA   LYS  13            HA      LYS  13  -0.381 -19.549 -19.549
  689   1HB   LYS  13           HB2      LYS  13  -2.590 -18.719 -18.719
  690   2HB   LYS  13           HB1      LYS  13  -1.914 -17.793 -17.793
  691   1HG   LYS  13           HG2      LYS  13  -2.479 -16.270 -16.270
  692   2HG   LYS  13           HG1      LYS  13  -0.726 -16.341 -16.341
  693   1HD   LYS  13           HD2      LYS  13  -0.564 -17.897 -17.897
  694   2HD   LYS  13           HD1      LYS  13  -2.321 -18.005 -18.005
  695   1HE   LYS  13           HE2      LYS  13  -2.044 -15.336 -15.336
  696   2HE   LYS  13           HE1      LYS  13  -0.504 -15.839 -15.839
  697   1HZ   LYS  13           HZ1      LYS  13  -3.015 -17.133 -17.133
  698   2HZ   LYS  13           HZ3      LYS  13  -2.553 -15.651 -15.651
  699   3HZ   LYS  13           HZ2      LYS  13  -1.544 -17.007 -17.007
  700    H    ARG  14            HN      ARG  14  -2.261 -20.770 -20.770
  701    HA   ARG  14            HA      ARG  14  -0.881 -22.465 -22.465
  702   1HB   ARG  14           HB2      ARG  14  -3.748 -22.064 -22.064
  703   2HB   ARG  14           HB1      ARG  14  -3.394 -23.023 -23.023
  704   1HG   ARG  14           HG2      ARG  14  -3.214 -24.729 -24.729
  705   2HG   ARG  14           HG1      ARG  14  -1.589 -24.082 -24.082
  706   1HD   ARG  14           HD2      ARG  14  -2.309 -24.102 -24.102
  707   2HD   ARG  14           HD1      ARG  14  -2.838 -22.487 -22.487
  708    HE   ARG  14            HE      ARG  14  -4.633 -24.868 -24.868
  709   1HH1  ARG  14          HH11      ARG  14  -5.976 -23.126 -23.126
  710   2HH1  ARG  14          HH12      ARG  14  -6.762 -21.957 -21.957
  711   1HH2  ARG  14          HH21      ARG  14  -4.807 -22.648 -22.648
  712   2HH2  ARG  14          HH22      ARG  14  -6.100 -21.686 -21.686
  713    H    GLU  15            HN      GLU  15  -1.835 -22.812 -22.812
  714    HA   GLU  15            HA      GLU  15  -2.016 -21.957 -21.957
  715   1HB   GLU  15           HB2      GLU  15  -3.653 -20.087 -20.087
  716   2HB   GLU  15           HB1      GLU  15  -3.296 -19.618 -19.618
  717   1HG   GLU  15           HG2      GLU  15  -4.398 -21.497 -21.497
  718   2HG   GLU  15           HG1      GLU  15  -4.341 -22.373 -22.373

  Start of MODEL    6
    1   1H    GLY  -8           HT1      GLY  -8  15.497  -5.011  -5.011
    2   2H    GLY  -8           HT3      GLY  -8  16.071  -3.592  -3.592
    3   3H    GLY  -8           HT2      GLY  -8  14.489  -4.128  -4.128
    4   1HA   GLY  -8           HA1      GLY  -8  13.948  -2.851  -2.851
    5   2HA   GLY  -8           HA2      GLY  -8  15.575  -2.391  -2.391
    6    H    SER  -7            HN      SER  -7  13.209  -5.226  -5.226
    7    HA   SER  -7            HA      SER  -7  12.808  -5.299  -5.299
    8   1HB   SER  -7           HB2      SER  -7  13.838  -7.317  -7.317
    9   2HB   SER  -7           HB1      SER  -7  12.298  -7.543  -7.543
   10    HG   SER  -7            HG      SER  -7  13.020  -8.091  -8.091
   11    H    ARG  -6            HN      ARG  -6  11.263  -3.416  -3.416
   12    HA   ARG  -6            HA      ARG  -6   8.576  -4.333  -4.333
   13   1HB   ARG  -6           HB2      ARG  -6   9.315  -5.042  -5.042
   14   2HB   ARG  -6           HB1      ARG  -6   8.802  -3.387  -3.387
   15   1HG   ARG  -6           HG2      ARG  -6   6.835  -4.685  -4.685
   16   2HG   ARG  -6           HG1      ARG  -6   6.673  -3.966  -3.966
   17   1HD   ARG  -6           HD2      ARG  -6   7.106  -5.972  -5.972
   18   2HD   ARG  -6           HD1      ARG  -6   8.012  -6.636  -6.636
   19    HE   ARG  -6            HE      ARG  -6   5.875  -7.084  -7.084
   20   1HH1  ARG  -6          HH11      ARG  -6   3.584  -6.090  -6.090
   21   2HH1  ARG  -6          HH12      ARG  -6   2.912  -6.587  -6.587
   22   1HH2  ARG  -6          HH21      ARG  -6   5.942  -7.682  -7.682
   23   2HH2  ARG  -6          HH22      ARG  -6   4.247  -7.489  -7.489
   24    H    ARG  -5            HN      ARG  -5   7.900  -2.563  -2.563
   25    HA   ARG  -5            HA      ARG  -5   8.444   0.125   0.125
   26   1HB   ARG  -5           HB2      ARG  -5   8.974  -0.906  -0.906
   27   2HB   ARG  -5           HB1      ARG  -5   7.938   0.520   0.520
   28   1HG   ARG  -5           HG2      ARG  -5  10.528   0.383   0.383
   29   2HG   ARG  -5           HG1      ARG  -5  10.403   1.046   1.046
   30   1HD   ARG  -5           HD2      ARG  -5   8.423   2.445   2.445
   31   2HD   ARG  -5           HD1      ARG  -5   9.347   2.136   2.136
   32    HE   ARG  -5            HE      ARG  -5  11.056   3.562   3.562
   33   1HH1  ARG  -5          HH21      ARG  -5  11.739   2.721   2.721
   34   2HH1  ARG  -5          HH22      ARG  -5  11.014   3.880   3.880
   35   1HH2  ARG  -5          HH11      ARG  -5   8.814   5.093   5.093
   36   2HH2  ARG  -5          HH12      ARG  -5   9.359   5.224   5.224
   37    H    ALA  -4            HN      ALA  -4   6.598   1.120   1.120
   38    HA   ALA  -4            HA      ALA  -4   4.325   1.690   1.690
   39   1HB   ALA  -4           HB1      ALA  -4   4.795   1.175   1.175
   40   2HB   ALA  -4           HB3      ALA  -4   3.111   1.165   1.165
   41   3HB   ALA  -4           HB2      ALA  -4   4.110   2.594   2.594
   42    H    SER  -3            HN      SER  -3   2.008   0.593   0.593
   43    HA   SER  -3            HA      SER  -3   2.026  -2.312  -2.312
   44   1HB   SER  -3           HB2      SER  -3   2.671  -2.170  -2.170
   45   2HB   SER  -3           HB1      SER  -3   1.499  -0.895  -0.895
   46    HG   SER  -3            HG      SER  -3   0.502  -2.708  -2.708
   47    H    VAL  -2            HN      VAL  -2  -0.287  -3.146  -3.146
   48    HA   VAL  -2            HA      VAL  -2  -2.109  -1.629  -1.629
   49    HB   VAL  -2            HB      VAL  -2  -2.836  -3.829  -3.829
   50   1HG1  VAL  -2          HG13      VAL  -2  -4.656  -2.468  -2.468
   51   2HG1  VAL  -2          HG12      VAL  -2  -4.062  -3.104  -3.104
   52   3HG1  VAL  -2          HG11      VAL  -2  -4.710  -4.202  -4.202
   53   1HG2  VAL  -2          HG23      VAL  -2  -1.484  -3.889  -3.889
   54   2HG2  VAL  -2          HG22      VAL  -2  -1.158  -4.867  -4.867
   55   3HG2  VAL  -2          HG21      VAL  -2  -2.581  -5.197  -5.197
   56    H    GLY  -1            HN      GLY  -1  -1.989  -2.190  -2.190
   57   1HA   GLY  -1           HA2      GLY  -1  -2.874   0.422   0.422
   58   2HA   GLY  -1           HA1      GLY  -1  -4.277  -0.646  -0.646
   59    H    SER   0            HN      SER   0  -4.711  -1.183  -1.183
   60    HA   SER   0            HA      SER   0  -2.449  -2.198  -2.198
   61   1HB   SER   0           HB2      SER   0  -4.107  -1.198  -1.198
   62   2HB   SER   0           HB1      SER   0  -2.764  -0.281  -0.281
   63    HG   SER   0            HG      SER   0  -5.521  -0.162  -0.162
   64    H    MET   1            HN      MET   1  -3.416  -3.436  -3.436
   65    HA   MET   1            HA      MET   1  -5.738  -5.056  -5.056
   66   1HB   MET   1           HB2      MET   1  -3.158  -5.811  -5.811
   67   2HB   MET   1           HB1      MET   1  -4.596  -6.746  -6.746
   68   1HG   MET   1           HG2      MET   1  -4.924  -7.486  -7.486
   69   2HG   MET   1           HG1      MET   1  -3.995  -6.162  -6.162
   70   1HE   MET   1           HE3      MET   1  -4.165  -9.007  -9.007
   71   2HE   MET   1           HE2      MET   1  -2.624  -8.790  -8.790
   72   3HE   MET   1           HE1      MET   1  -2.796 -10.062 -10.062
   73    H    GLU   2            HN      GLU   2  -6.445  -6.385  -6.385
   74    HA   GLU   2            HA      GLU   2  -6.910  -4.226  -4.226
   75   1HB   GLU   2           HB2      GLU   2  -8.796  -5.591  -5.591
   76   2HB   GLU   2           HB1      GLU   2  -8.943  -6.282  -6.282
   77   1HG   GLU   2           HG2      GLU   2  -9.529  -4.236  -4.236
   78   2HG   GLU   2           HG1      GLU   2  -8.817  -3.301  -3.301
   79    H    ALA   3            HN      ALA   3  -7.635  -5.369  -5.369
   80    HA   ALA   3            HA      ALA   3  -6.513  -8.025  -8.025
   81   1HB   ALA   3           HB3      ALA   3  -5.382  -5.619  -5.619
   82   2HB   ALA   3           HB2      ALA   3  -5.039  -7.288  -7.288
   83   3HB   ALA   3           HB1      ALA   3  -4.561  -6.681  -6.681
   84    H    ILE   4            HN      ILE   4  -8.078  -8.964  -8.964
   85    HA   ILE   4            HA      ILE   4 -10.200  -7.729  -7.729
   86    HB   ILE   4            HB      ILE   4 -10.457  -9.874  -9.874
   87   1HG1  ILE   4          HG12      ILE   4 -10.597 -10.897 -10.897
   88   2HG1  ILE   4          HG11      ILE   4 -11.249  -9.263  -9.263
   89   1HG2  ILE   4          HG21      ILE   4  -7.973 -10.425 -10.425
   90   2HG2  ILE   4          HG23      ILE   4  -9.160 -11.716 -11.716
   91   3HG2  ILE   4          HG22      ILE   4  -8.660 -11.198 -11.198
   92   1HD1  ILE   4          HD12      ILE   4 -11.979 -11.498 -11.498
   93   2HD1  ILE   4          HD11      ILE   4 -12.905 -11.094 -11.094
   94   3HD1  ILE   4          HD13      ILE   4 -12.746  -9.917  -9.917
   95    H    ALA   5            HN      ALA   5 -10.218  -6.743  -6.743
   96    HA   ALA   5            HA      ALA   5  -8.157  -7.112  -7.112
   97   1HB   ALA   5           HB3      ALA   5 -10.845  -5.694  -5.694
   98   2HB   ALA   5           HB2      ALA   5  -9.756  -5.737  -5.737
   99   3HB   ALA   5           HB1      ALA   5  -9.247  -4.950  -4.950
  100    H    LYS   6            HN      LYS   6  -8.180  -9.164  -9.164
  101    HA   LYS   6            HA      LYS   6 -10.457 -10.846 -10.846
  102   1HB   LYS   6           HB2      LYS   6  -7.903 -10.913 -10.913
  103   2HB   LYS   6           HB1      LYS   6  -9.047 -12.240 -12.240
  104   1HG   LYS   6           HG2      LYS   6  -8.474 -12.584 -12.584
  105   2HG   LYS   6           HG1      LYS   6  -7.852 -10.947 -10.947
  106   1HD   LYS   6           HD2      LYS   6  -5.980 -12.487 -12.487
  107   2HD   LYS   6           HD1      LYS   6  -5.978 -11.521 -11.521
  108   1HE   LYS   6           HE2      LYS   6  -5.797 -13.563 -13.563
  109   2HE   LYS   6           HE1      LYS   6  -7.544 -13.606 -13.606
  110   1HZ   LYS   6           HZ3      LYS   6  -5.611 -14.617 -14.617
  111   2HZ   LYS   6           HZ2      LYS   6  -6.307 -15.603 -15.603
  112   3HZ   LYS   6           HZ1      LYS   6  -7.290 -14.853 -14.853
  113    H    TYR   7            HN      TYR   7  -9.186  -8.335  -8.335
  114    HA   TYR   7            HA      TYR   7 -11.514  -8.727  -8.727
  115   1HB   TYR   7           HB2      TYR   7  -8.754  -8.357  -8.357
  116   2HB   TYR   7           HB1      TYR   7 -10.234  -8.836  -8.836
  117    HD1  TYR   7           HD2      TYR   7 -11.316 -11.092 -11.092
  118    HD2  TYR   7           HD1      TYR   7  -7.254  -9.974  -9.974
  119    HE1  TYR   7           HE2      TYR   7 -10.735 -13.476 -13.476
  120    HE2  TYR   7           HE1      TYR   7  -6.665 -12.344 -12.344
  121    HH   TYR   7            HH      TYR   7  -8.791 -14.687 -14.687
  122    H    ASP   8            HN      ASP   8 -11.085  -6.941  -6.941
  123    HA   ASP   8            HA      ASP   8 -11.116  -4.426  -4.426
  124   1HB   ASP   8           HB2      ASP   8 -12.235  -3.519  -3.519
  125   2HB   ASP   8           HB1      ASP   8 -12.910  -5.125  -5.125
  126    H    PHE   9            HN      PHE   9 -10.039  -2.511  -2.511
  127    HA   PHE   9            HA      PHE   9  -7.945  -2.646  -2.646
  128   1HB   PHE   9           HB2      PHE   9  -7.215  -4.002  -4.002
  129   2HB   PHE   9           HB1      PHE   9  -6.449  -2.423  -2.423
  130    HD1  PHE   9           HD2      PHE   9  -7.175  -4.577  -4.577
  131    HD2  PHE   9           HD1      PHE   9  -4.196  -2.602  -2.602
  132    HE1  PHE   9           HE2      PHE   9  -5.420  -5.271  -5.271
  133    HE2  PHE   9           HE1      PHE   9  -2.443  -3.294  -3.294
  134    HZ   PHE   9            HZ      PHE   9  -3.056  -4.627  -4.627
  135    H    LYS  10            HN      LYS  10  -6.328  -0.709  -0.709
  136    HA   LYS  10            HA      LYS  10  -7.625   1.453   1.453
  137   1HB   LYS  10           HB2      LYS  10  -7.674   1.246   1.246
  138   2HB   LYS  10           HB1      LYS  10  -6.830   2.707   2.707
  139   1HG   LYS  10           HG2      LYS  10  -8.891   2.954   2.954
  140   2HG   LYS  10           HG1      LYS  10  -9.685   1.913   1.913
  141   1HD   LYS  10           HD2      LYS  10  -8.242   4.493   4.493
  142   2HD   LYS  10           HD1      LYS  10  -9.990   4.342   4.342
  143   1HE   LYS  10           HE2      LYS  10  -9.866   2.495   2.495
  144   2HE   LYS  10           HE1      LYS  10  -8.218   3.044   3.044
  145   1HZ   LYS  10           HZ3      LYS  10 -10.403   5.007   5.007
  146   2HZ   LYS  10           HZ2      LYS  10 -10.197   4.035   4.035
  147   3HZ   LYS  10           HZ1      LYS  10  -8.937   5.048   5.048
  148    H    ALA  11            HN      ALA  11  -6.247   3.293   3.293
  149    HA   ALA  11            HA      ALA  11  -3.594   2.483   2.483
  150   1HB   ALA  11           HB2      ALA  11  -4.983   4.375   4.375
  151   2HB   ALA  11           HB1      ALA  11  -4.416   5.356   5.356
  152   3HB   ALA  11           HB3      ALA  11  -3.252   4.650   4.650
  153    H    THR  12            HN      THR  12  -1.874   2.418   2.418
  154    HA   THR  12            HA      THR  12  -2.162   3.736   3.736
  155    HB   THR  12            HB      THR  12  -0.343   2.217   2.217
  156    HG1  THR  12           HG1      THR  12   0.340   0.634   0.634
  157   1HG2  THR  12          HG23      THR  12  -2.904   1.275   1.275
  158   2HG2  THR  12          HG22      THR  12  -1.720   0.025   0.025
  159   3HG2  THR  12          HG21      THR  12  -2.292   1.116   1.116
  160    H    ALA  13            HN      ALA  13  -1.493   5.219   5.219
  161    HA   ALA  13            HA      ALA  13   0.631   6.856   6.856
  162   1HB   ALA  13           HB2      ALA  13   1.431   4.633   4.633
  163   2HB   ALA  13           HB1      ALA  13   2.226   6.208   6.208
  164   3HB   ALA  13           HB3      ALA  13   2.305   5.288   5.288
  165    H    ASP  14            HN      ASP  14   1.273   8.411   8.411
  166    HA   ASP  14            HA      ASP  14  -0.960   9.366   9.366
  167   1HB   ASP  14           HB2      ASP  14   1.115  10.525  10.525
  168   2HB   ASP  14           HB1      ASP  14   1.872  10.159  10.159
  169    H    ASP  15            HN      ASP  15   1.757   7.309   7.309
  170    HA   ASP  15            HA      ASP  15   1.089   7.373   7.373
  171   1HB   ASP  15           HB2      ASP  15   3.263   6.325   6.325
  172   2HB   ASP  15           HB1      ASP  15   3.430   7.751   7.751
  173    H    GLU  16            HN      GLU  16  -0.515   5.901   5.901
  174    HA   GLU  16            HA      GLU  16  -0.183   3.152   3.152
  175   1HB   GLU  16           HB2      GLU  16   0.196   3.579   3.579
  176   2HB   GLU  16           HB1      GLU  16  -1.553   3.768   3.768
  177   1HG   GLU  16           HG2      GLU  16  -1.957   1.565   1.565
  178   2HG   GLU  16           HG1      GLU  16  -0.547   1.406   1.406
  179    H    LEU  17            HN      LEU  17  -2.380   1.933   1.933
  180    HA   LEU  17            HA      LEU  17  -4.546   3.820   3.820
  181   1HB   LEU  17           HB2      LEU  17  -3.511   2.717   2.717
  182   2HB   LEU  17           HB1      LEU  17  -3.864   1.150   1.150
  183    HG   LEU  17            HG      LEU  17  -6.321   1.847   1.847
  184   1HD1  LEU  17          HD12      LEU  17  -5.033   4.188   4.188
  185   2HD1  LEU  17          HD11      LEU  17  -6.504   3.603   3.603
  186   3HD1  LEU  17          HD13      LEU  17  -6.535   4.092   4.092
  187   1HD2  LEU  17          HD21      LEU  17  -4.612   1.190   1.190
  188   2HD2  LEU  17          HD23      LEU  17  -5.974   0.301   0.301
  189   3HD2  LEU  17          HD22      LEU  17  -6.266   1.698   1.698
  190    H    SER  18            HN      SER  18  -6.520   3.500   3.500
  191    HA   SER  18            HA      SER  18  -6.878   1.368   1.368
  192   1HB   SER  18           HB2      SER  18  -8.548   2.740   2.740
  193   2HB   SER  18           HB1      SER  18  -7.419   3.892   3.892
  194    HG   SER  18            HG      SER  18  -8.710   3.820   3.820
  195    H    PHE  19            HN      PHE  19  -9.128   0.301   0.301
  196    HA   PHE  19            HA      PHE  19 -10.789   0.189   0.189
  197   1HB   PHE  19           HB2      PHE  19 -10.096  -1.991  -1.991
  198   2HB   PHE  19           HB1      PHE  19  -8.856  -0.756  -0.756
  199    HD1  PHE  19           HD1      PHE  19  -9.875  -3.658  -3.658
  200    HD2  PHE  19           HD2      PHE  19  -6.683  -1.022  -1.022
  201    HE1  PHE  19           HE1      PHE  19  -8.245  -5.109  -5.109
  202    HE2  PHE  19           HE2      PHE  19  -5.057  -2.470  -2.470
  203    HZ   PHE  19            HZ      PHE  19  -5.838  -4.514  -4.514
  204    H    LYS  20            HN      LYS  20 -12.212  -1.839  -1.839
  205    HA   LYS  20            HA      LYS  20 -12.393  -2.826  -2.826
  206   1HB   LYS  20           HB2      LYS  20 -14.635  -2.389  -2.389
  207   2HB   LYS  20           HB1      LYS  20 -14.810  -2.918  -2.918
  208   1HG   LYS  20           HG2      LYS  20 -13.449  -0.341  -0.341
  209   2HG   LYS  20           HG1      LYS  20 -15.185  -0.436  -0.436
  210   1HD   LYS  20           HD2      LYS  20 -13.231  -1.527  -1.527
  211   2HD   LYS  20           HD1      LYS  20 -13.660   0.184   0.184
  212   1HE   LYS  20           HE2      LYS  20 -15.779  -1.966  -1.966
  213   2HE   LYS  20           HE1      LYS  20 -15.069  -1.376  -1.376
  214   1HZ   LYS  20           HZ1      LYS  20 -15.641   0.919   0.919
  215   2HZ   LYS  20           HZ3      LYS  20 -16.620   0.138   0.138
  216   3HZ   LYS  20           HZ2      LYS  20 -16.940  -0.047  -0.047
  217    H    ARG  21            HN      ARG  21 -13.904  -4.877  -4.877
  218    HA   ARG  21            HA      ARG  21 -12.506  -6.889  -6.889
  219   1HB   ARG  21           HB2      ARG  21 -13.469  -7.210  -7.210
  220   2HB   ARG  21           HB1      ARG  21 -15.081  -7.100  -7.100
  221   1HG   ARG  21           HG2      ARG  21 -14.797  -9.092  -9.092
  222   2HG   ARG  21           HG1      ARG  21 -13.045  -9.073  -9.073
  223   1HD   ARG  21           HD2      ARG  21 -13.161  -9.838  -9.838
  224   2HD   ARG  21           HD1      ARG  21 -14.742  -9.108  -9.108
  225    HE   ARG  21            HE      ARG  21 -14.263 -11.711 -11.711
  226   1HH1  ARG  21          HH21      ARG  21 -16.579  -9.471  -9.471
  227   2HH1  ARG  21          HH22      ARG  21 -17.899 -10.362 -10.362
  228   1HH2  ARG  21          HH11      ARG  21 -15.878 -12.794 -12.794
  229   2HH2  ARG  21          HH12      ARG  21 -17.503 -12.242 -12.242
  230    H    GLY  22            HN      GLY  22 -12.870  -6.969  -6.969
  231   1HA   GLY  22           HA2      GLY  22 -14.393  -7.862  -7.862
  232   2HA   GLY  22           HA1      GLY  22 -15.719  -7.042  -7.042
  233    H    ASP  23            HN      ASP  23 -13.068  -4.972  -4.972
  234    HA   ASP  23            HA      ASP  23 -14.132  -3.476  -3.476
  235   1HB   ASP  23           HB2      ASP  23 -13.032  -2.847  -2.847
  236   2HB   ASP  23           HB1      ASP  23 -12.141  -2.019  -2.019
  237    H    ILE  24            HN      ILE  24 -13.112  -4.470  -4.470
  238    HA   ILE  24            HA      ILE  24 -10.320  -5.221  -5.221
  239    HB   ILE  24            HB      ILE  24 -11.891  -4.776  -4.776
  240   1HG1  ILE  24          HG12      ILE  24 -12.059  -7.023  -7.023
  241   2HG1  ILE  24          HG11      ILE  24 -13.387  -6.101  -6.101
  242   1HG2  ILE  24          HG21      ILE  24  -9.298  -5.477  -5.477
  243   2HG2  ILE  24          HG23      ILE  24 -10.048  -7.068  -7.068
  244   3HG2  ILE  24          HG22      ILE  24 -10.219  -6.035  -6.035
  245   1HD1  ILE  24          HD12      ILE  24 -12.188  -7.222  -7.222
  246   2HD1  ILE  24          HD11      ILE  24 -12.044  -8.491  -8.491
  247   3HD1  ILE  24          HD13      ILE  24 -13.629  -7.840  -7.840
  248    H    LEU  25            HN      LEU  25  -8.559  -4.085  -4.085
  249    HA   LEU  25            HA      LEU  25  -8.914  -1.195  -1.195
  250   1HB   LEU  25           HB2      LEU  25  -6.133  -2.106  -2.106
  251   2HB   LEU  25           HB1      LEU  25  -6.991  -0.879  -0.879
  252    HG   LEU  25            HG      LEU  25  -6.930  -3.880  -3.880
  253   1HD1  LEU  25          HD13      LEU  25  -5.144  -2.041  -2.041
  254   2HD1  LEU  25          HD12      LEU  25  -6.315  -1.808  -1.808
  255   3HD1  LEU  25          HD11      LEU  25  -5.587  -3.394  -3.394
  256   1HD2  LEU  25          HD23      LEU  25  -9.126  -2.200  -2.200
  257   2HD2  LEU  25          HD22      LEU  25  -8.805  -3.768  -3.768
  258   3HD2  LEU  25          HD21      LEU  25  -8.273  -2.279  -2.279
  259    H    LYS  26            HN      LYS  26  -7.184  -0.159  -0.159
  260    HA   LYS  26            HA      LYS  26  -7.073  -1.844  -1.844
  261   1HB   LYS  26           HB2      LYS  26  -8.294   0.471   0.471
  262   2HB   LYS  26           HB1      LYS  26  -6.663   1.136   1.136
  263   1HG   LYS  26           HG2      LYS  26  -7.250   0.996   0.996
  264   2HG   LYS  26           HG1      LYS  26  -6.374  -0.514  -0.514
  265   1HD   LYS  26           HD2      LYS  26  -8.299  -1.806  -1.806
  266   2HD   LYS  26           HD1      LYS  26  -9.326  -0.481  -0.481
  267   1HE   LYS  26           HE2      LYS  26  -9.265   0.580   0.580
  268   2HE   LYS  26           HE1      LYS  26  -7.971  -0.480  -0.480
  269   1HZ   LYS  26           HZ2      LYS  26 -10.633  -1.488  -1.488
  270   2HZ   LYS  26           HZ1      LYS  26 -10.267  -1.056  -1.056
  271   3HZ   LYS  26           HZ3      LYS  26  -9.419  -2.316  -2.316
  272    H    VAL  27            HN      VAL  27  -5.068  -2.888  -2.888
  273    HA   VAL  27            HA      VAL  27  -2.735  -1.692  -1.692
  274    HB   VAL  27            HB      VAL  27  -2.848  -3.920  -3.920
  275   1HG1  VAL  27          HG11      VAL  27  -0.628  -2.622  -2.622
  276   2HG1  VAL  27          HG13      VAL  27  -0.798  -3.751  -3.751
  277   3HG1  VAL  27          HG12      VAL  27  -0.641  -4.359  -4.359
  278   1HG2  VAL  27          HG23      VAL  27  -3.009  -3.945  -3.945
  279   2HG2  VAL  27          HG22      VAL  27  -4.274  -4.452  -4.452
  280   3HG2  VAL  27          HG21      VAL  27  -2.783  -5.384  -5.384
  281    H    LEU  28            HN      LEU  28  -1.904   0.144   0.144
  282    HA   LEU  28            HA      LEU  28  -1.857   0.753   0.753
  283   1HB   LEU  28           HB2      LEU  28  -0.343   2.440   2.440
  284   2HB   LEU  28           HB1      LEU  28  -1.284   2.938   2.938
  285    HG   LEU  28            HG      LEU  28  -3.104   1.769   1.769
  286   1HD1  LEU  28          HD11      LEU  28  -1.148   3.756   3.756
  287   2HD1  LEU  28          HD13      LEU  28  -2.734   3.435   3.435
  288   3HD1  LEU  28          HD12      LEU  28  -1.535   2.146   2.146
  289   1HD2  LEU  28          HD22      LEU  28  -3.013   3.913   3.913
  290   2HD2  LEU  28          HD21      LEU  28  -4.314   3.607   3.607
  291   3HD2  LEU  28          HD23      LEU  28  -3.006   4.712   4.712
  292    H    ASN  29            HN      ASN  29   0.236  -0.388  -0.388
  293    HA   ASN  29            HA      ASN  29   2.240  -1.249  -1.249
  294   1HB   ASN  29           HB2      ASN  29   2.508   1.381   1.381
  295   2HB   ASN  29           HB1      ASN  29   3.531   0.569   0.569
  296   1HD2  ASN  29          HD22      ASN  29   5.465   1.262   1.262
  297   2HD2  ASN  29          HD21      ASN  29   4.508   2.257   2.257
  298    H    GLU  30            HN      GLU  30   4.396  -1.724  -1.724
  299    HA   GLU  30            HA      GLU  30   3.444  -2.916  -2.916
  300   1HB   GLU  30           HB2      GLU  30   4.812  -4.424  -4.424
  301   2HB   GLU  30           HB1      GLU  30   4.693  -5.039  -5.039
  302   1HG   GLU  30           HG2      GLU  30   2.313  -5.130  -5.130
  303   2HG   GLU  30           HG1      GLU  30   2.262  -4.154  -4.154
  304    H    GLU  31            HN      GLU  31   4.800  -0.809  -0.809
  305    HA   GLU  31            HA      GLU  31   7.726  -1.332  -1.332
  306   1HB   GLU  31           HB2      GLU  31   6.127   1.137   1.137
  307   2HB   GLU  31           HB1      GLU  31   7.889   1.041   1.041
  308   1HG   GLU  31           HG2      GLU  31   7.655   0.233   0.233
  309   2HG   GLU  31           HG1      GLU  31   6.024   0.899   0.899
  310    H    CYS  32            HN      CYS  32   8.733  -0.223  -0.223
  311    HA   CYS  32            HA      CYS  32   9.073  -0.463  -0.463
  312   1HB   CYS  32           HB2      CYS  32   6.411   0.211   0.211
  313   2HB   CYS  32           HB1      CYS  32   6.318  -1.329  -1.329
  314    HG   CYS  32            HG      CYS  32   7.855  -0.320  -0.320
  315    H    ASP  33            HN      ASP  33   8.116  -2.249  -2.249
  316    HA   ASP  33            HA      ASP  33   9.496  -4.567  -4.567
  317   1HB   ASP  33           HB2      ASP  33   7.973  -3.661  -3.661
  318   2HB   ASP  33           HB1      ASP  33   6.858  -4.841  -4.841
  319    H    GLN  34            HN      GLN  34   8.746  -6.823  -6.823
  320    HA   GLN  34            HA      GLN  34   7.091  -6.928  -6.928
  321   1HB   GLN  34           HB2      GLN  34   9.373  -8.158  -8.158
  322   2HB   GLN  34           HB1      GLN  34   8.387  -9.339  -9.339
  323   1HG   GLN  34           HG2      GLN  34   7.152  -9.903  -9.903
  324   2HG   GLN  34           HG1      GLN  34   7.562  -8.398  -8.398
  325   1HE2  GLN  34          HE22      GLN  34   9.972 -10.295 -10.295
  326   2HE2  GLN  34          HE21      GLN  34   8.525  -9.413  -9.413
  327    H    ASN  35            HN      ASN  35   6.098  -6.591  -6.591
  328    HA   ASN  35            HA      ASN  35   4.240  -8.886  -8.886
  329   1HB   ASN  35           HB2      ASN  35   5.198  -7.142  -7.142
  330   2HB   ASN  35           HB1      ASN  35   3.920  -8.351  -8.351
  331   1HD2  ASN  35          HD22      ASN  35   7.441  -9.734  -9.734
  332   2HD2  ASN  35          HD21      ASN  35   6.750  -8.247  -8.247
  333    H    TRP  36            HN      TRP  36   4.519  -5.447  -5.447
  334    HA   TRP  36            HA      TRP  36   1.541  -5.292  -5.292
  335   1HB   TRP  36           HB2      TRP  36   3.406  -2.965  -2.965
  336   2HB   TRP  36           HB1      TRP  36   1.644  -2.967  -2.967
  337    HD1  TRP  36           HD1      TRP  36   4.375  -5.324  -5.324
  338    HE1  TRP  36           HE1      TRP  36   3.971  -5.463  -5.463
  339    HE3  TRP  36           HE3      TRP  36   0.293  -2.199  -2.199
  340    HZ2  TRP  36           HZ2      TRP  36   2.244  -4.395  -4.395
  341    HZ3  TRP  36           HZ3      TRP  36  -0.642  -1.777  -1.777
  342    HH2  TRP  36           HH2      TRP  36   0.310  -2.877  -2.877
  343    H    TYR  37            HN      TYR  37   0.598  -4.476  -4.476
  344    HA   TYR  37            HA      TYR  37   2.329  -3.945  -3.945
  345   1HB   TYR  37           HB2      TYR  37  -0.686  -4.151  -4.151
  346   2HB   TYR  37           HB1      TYR  37   0.164  -3.944  -3.944
  347    HD1  TYR  37           HD1      TYR  37   2.483  -5.829  -5.829
  348    HD2  TYR  37           HD2      TYR  37  -1.710  -6.218  -6.218
  349    HE1  TYR  37           HE1      TYR  37   2.656  -8.294  -8.294
  350    HE2  TYR  37           HE2      TYR  37  -1.553  -8.671  -8.671
  351    HH   TYR  37            HH      TYR  37   1.556 -10.291 -10.291
  352    H    LYS  38            HN      LYS  38   0.963  -2.211  -2.211
  353    HA   LYS  38            HA      LYS  38   0.473   0.238   0.238
  354   1HB   LYS  38           HB2      LYS  38   2.623   0.341   0.341
  355   2HB   LYS  38           HB1      LYS  38   1.643   0.154   0.154
  356   1HG   LYS  38           HG2      LYS  38   0.298   2.151   2.151
  357   2HG   LYS  38           HG1      LYS  38   1.963   2.489   2.489
  358   1HD   LYS  38           HD2      LYS  38   2.032   1.863   1.863
  359   2HD   LYS  38           HD1      LYS  38   0.662   2.953   2.953
  360   1HE   LYS  38           HE2      LYS  38   2.281   4.378   4.378
  361   2HE   LYS  38           HE1      LYS  38   3.563   3.426   3.426
  362   1HZ   LYS  38           HZ1      LYS  38   1.498   4.996   4.996
  363   2HZ   LYS  38           HZ3      LYS  38   3.115   5.458   5.458
  364   3HZ   LYS  38           HZ2      LYS  38   2.742   4.089   4.089
  365    H    ALA  39            HN      ALA  39  -1.592   1.037   1.037
  366    HA   ALA  39            HA      ALA  39  -2.925   0.535   0.535
  367   1HB   ALA  39           HB1      ALA  39  -3.160  -1.606  -1.606
  368   2HB   ALA  39           HB3      ALA  39  -3.988  -0.740  -0.740
  369   3HB   ALA  39           HB2      ALA  39  -4.713  -0.824  -0.824
  370    H    GLU  40            HN      GLU  40  -5.417   0.975   0.975
  371    HA   GLU  40            HA      GLU  40  -5.671   3.299   3.299
  372   1HB   GLU  40           HB2      GLU  40  -5.344   4.827   4.827
  373   2HB   GLU  40           HB1      GLU  40  -4.735   3.528   3.528
  374   1HG   GLU  40           HG2      GLU  40  -6.985   3.236   3.236
  375   2HG   GLU  40           HG1      GLU  40  -7.640   4.451   4.451
  376    H    LEU  41            HN      LEU  41  -7.574   3.545   3.545
  377    HA   LEU  41            HA      LEU  41  -9.792   1.928   1.928
  378   1HB   LEU  41           HB2      LEU  41  -9.093   2.850   2.850
  379   2HB   LEU  41           HB1      LEU  41 -10.812   2.692   2.692
  380    HG   LEU  41            HG      LEU  41  -8.917   0.528   0.528
  381   1HD1  LEU  41          HD12      LEU  41  -9.038   1.370   1.370
  382   2HD1  LEU  41          HD11      LEU  41 -10.314   0.148   0.148
  383   3HD1  LEU  41          HD13      LEU  41  -8.664  -0.279  -0.279
  384   1HD2  LEU  41          HD21      LEU  41 -11.348   0.751   0.751
  385   2HD2  LEU  41          HD23      LEU  41 -10.906  -0.787  -0.787
  386   3HD2  LEU  41          HD22      LEU  41 -11.781   0.431   0.431
  387    H    ASN  42            HN      ASN  42 -10.616   3.028   3.028
  388    HA   ASN  42            HA      ASN  42 -11.758   4.741   4.741
  389   1HB   ASN  42           HB2      ASN  42 -12.967   4.260   4.260
  390   2HB   ASN  42           HB1      ASN  42 -13.566   5.644   5.644
  391   1HD2  ASN  42          HD21      ASN  42 -14.872   5.216   5.216
  392   2HD2  ASN  42          HD22      ASN  42 -15.292   3.648   3.648
  393    H    GLY  43            HN      GLY  43  -9.366   5.821   5.821
  394   1HA   GLY  43           HA2      GLY  43  -9.243   8.436   8.436
  395   2HA   GLY  43           HA1      GLY  43 -10.341   8.505   8.505
  396    H    LYS  44            HN      LYS  44  -9.050   6.408   6.408
  397    HA   LYS  44            HA      LYS  44  -6.763   7.921   7.921
  398   1HB   LYS  44           HB2      LYS  44  -8.510   5.768   5.768
  399   2HB   LYS  44           HB1      LYS  44  -6.851   5.931   5.931
  400   1HG   LYS  44           HG2      LYS  44  -7.166   8.119   8.119
  401   2HG   LYS  44           HG1      LYS  44  -8.641   8.329   8.329
  402   1HD   LYS  44           HD2      LYS  44  -9.203   8.007   8.007
  403   2HD   LYS  44           HD1      LYS  44  -9.778   6.638   6.638
  404   1HE   LYS  44           HE2      LYS  44  -8.096   5.219   5.219
  405   2HE   LYS  44           HE1      LYS  44  -7.047   6.556   6.556
  406   1HZ   LYS  44           HZ3      LYS  44  -8.659   7.122   7.122
  407   2HZ   LYS  44           HZ2      LYS  44  -9.586   5.761   5.761
  408   3HZ   LYS  44           HZ1      LYS  44  -8.018   5.566   5.566
  409    H    ASP  45            HN      ASP  45  -4.948   6.423   6.423
  410    HA   ASP  45            HA      ASP  45  -4.496   4.071   4.071
  411   1HB   ASP  45           HB2      ASP  45  -3.403   4.786   4.786
  412   2HB   ASP  45           HB1      ASP  45  -4.331   6.238   6.238
  413    H    GLY  46            HN      GLY  46  -1.938   3.655   3.655
  414   1HA   GLY  46           HA2      GLY  46   0.138   4.313   4.313
  415   2HA   GLY  46           HA1      GLY  46  -0.893   4.368   4.368
  416    H    PHE  47            HN      PHE  47   0.848   2.817   2.817
  417    HA   PHE  47            HA      PHE  47   1.073   0.210   0.210
  418   1HB   PHE  47           HB2      PHE  47   1.638   1.069   1.069
  419   2HB   PHE  47           HB1      PHE  47   2.272  -0.368  -0.368
  420    HD1  PHE  47           HD1      PHE  47   3.144   0.426   0.426
  421    HD2  PHE  47           HD2      PHE  47   3.299   2.681   2.681
  422    HE1  PHE  47           HE1      PHE  47   5.019   1.770   1.770
  423    HE2  PHE  47           HE2      PHE  47   5.175   4.023   4.023
  424    HZ   PHE  47            HZ      PHE  47   6.034   3.569   3.569
  425    H    ILE  48            HN      ILE  48   0.205  -1.817  -1.817
  426    HA   ILE  48            HA      ILE  48  -2.021  -1.662  -1.662
  427    HB   ILE  48            HB      ILE  48  -3.380  -3.134  -3.134
  428   1HG1  ILE  48          HG12      ILE  48  -1.275  -2.288  -2.288
  429   2HG1  ILE  48          HG11      ILE  48  -1.460  -3.917  -3.917
  430   1HG2  ILE  48          HG22      ILE  48  -2.716  -0.284  -0.284
  431   2HG2  ILE  48          HG21      ILE  48  -3.501  -1.045  -1.045
  432   3HG2  ILE  48          HG23      ILE  48  -4.288  -1.050  -1.050
  433   1HD1  ILE  48          HD12      ILE  48  -3.887  -3.797  -3.797
  434   2HD1  ILE  48          HD11      ILE  48  -3.372  -2.386  -2.386
  435   3HD1  ILE  48          HD13      ILE  48  -2.634  -3.958  -3.958
  436    HA   PRO  49            HA      PRO  49   0.373  -5.250  -5.250
  437   1HB   PRO  49           HB2      PRO  49  -1.288  -6.198  -6.198
  438   2HB   PRO  49           HB1      PRO  49  -0.112  -4.889  -4.889
  439   1HG   PRO  49           HG2      PRO  49  -3.096  -4.714  -4.714
  440   2HG   PRO  49           HG1      PRO  49  -2.001  -3.631  -3.631
  441   1HD   PRO  49           HD2      PRO  49  -3.053  -3.085  -3.085
  442   2HD   PRO  49           HD1      PRO  49  -1.652  -2.302  -2.302
  443    H    LYS  50            HN      LYS  50   0.281  -6.722  -6.722
  444    HA   LYS  50            HA      LYS  50  -1.946  -7.794  -7.794
  445   1HB   LYS  50           HB2      LYS  50   0.393  -7.922  -7.922
  446   2HB   LYS  50           HB1      LYS  50   0.715  -9.085  -9.085
  447   1HG   LYS  50           HG2      LYS  50  -1.211 -10.447 -10.447
  448   2HG   LYS  50           HG1      LYS  50  -0.874  -9.432  -9.432
  449   1HD   LYS  50           HD2      LYS  50   1.076 -10.509 -10.509
  450   2HD   LYS  50           HD1      LYS  50   1.596 -10.403 -10.403
  451   1HE   LYS  50           HE2      LYS  50  -0.241 -12.290 -12.290
  452   2HE   LYS  50           HE1      LYS  50   0.028 -12.566 -12.566
  453   1HZ   LYS  50           HZ2      LYS  50   2.464 -12.623 -12.623
  454   2HZ   LYS  50           HZ1      LYS  50   2.010 -12.698 -12.698
  455   3HZ   LYS  50           HZ3      LYS  50   1.548 -13.934 -13.934
  456    H    ASN  51            HN      ASN  51  -0.851  -8.724  -8.724
  457    HA   ASN  51            HA      ASN  51  -1.823 -11.318 -11.318
  458   1HB   ASN  51           HB2      ASN  51  -1.065  -9.334  -9.334
  459   2HB   ASN  51           HB1      ASN  51  -2.030 -10.651 -10.651
  460   1HD2  ASN  51          HD22      ASN  51   1.563 -11.687 -11.687
  461   2HD2  ASN  51          HD21      ASN  51   0.622 -10.462 -10.462
  462    H    TYR  52            HN      TYR  52  -3.400  -8.289  -8.289
  463    HA   TYR  52            HA      TYR  52  -6.003  -9.558  -9.558
  464   1HB   TYR  52           HB2      TYR  52  -4.990  -6.719  -6.719
  465   2HB   TYR  52           HB1      TYR  52  -6.703  -7.062  -7.062
  466    HD1  TYR  52           HD1      TYR  52  -3.774  -8.652  -8.652
  467    HD2  TYR  52           HD2      TYR  52  -7.492  -6.587  -6.587
  468    HE1  TYR  52           HE1      TYR  52  -3.685  -8.825  -8.825
  469    HE2  TYR  52           HE2      TYR  52  -7.408  -6.747  -6.747
  470    HH   TYR  52            HH      TYR  52  -4.602  -7.683  -7.683
  471    H    ILE  53            HN      ILE  53  -4.557  -9.785  -9.785
  472    HA   ILE  53            HA      ILE  53  -6.656  -8.870  -8.870
  473    HB   ILE  53            HB      ILE  53  -4.027  -8.069  -8.069
  474   1HG1  ILE  53          HG12      ILE  53  -5.521  -6.257  -6.257
  475   2HG1  ILE  53          HG11      ILE  53  -4.114  -7.197  -7.197
  476   1HG2  ILE  53          HG21      ILE  53  -6.850  -7.246  -7.246
  477   2HG2  ILE  53          HG23      ILE  53  -5.618  -6.033  -6.033
  478   3HG2  ILE  53          HG22      ILE  53  -5.633  -7.522  -7.522
  479   1HD1  ILE  53          HD11      ILE  53  -3.183  -6.082  -6.082
  480   2HD1  ILE  53          HD13      ILE  53  -4.296  -4.825  -4.825
  481   3HD1  ILE  53          HD12      ILE  53  -2.983  -5.345  -5.345
  482    H    GLU  54            HN      GLU  54  -6.110  -9.395  -9.395
  483    HA   GLU  54            HA      GLU  54  -4.247 -11.502 -11.502
  484   1HB   GLU  54           HB2      GLU  54  -7.075 -11.990 -11.990
  485   2HB   GLU  54           HB1      GLU  54  -6.493 -12.438 -12.438
  486   1HG   GLU  54           HG2      GLU  54  -4.609 -13.686 -13.686
  487   2HG   GLU  54           HG1      GLU  54  -5.528 -13.455 -13.455
  488    H    MET  55            HN      MET  55  -3.901 -11.756 -11.756
  489    HA   MET  55            HA      MET  55  -4.433  -9.188  -9.188
  490   1HB   MET  55           HB2      MET  55  -2.121 -10.409 -10.409
  491   2HB   MET  55           HB1      MET  55  -2.684 -11.333 -11.333
  492   1HG   MET  55           HG2      MET  55  -3.239  -8.548  -8.548
  493   2HG   MET  55           HG1      MET  55  -1.561  -8.695  -8.695
  494   1HE   MET  55           HE3      MET  55  -0.334 -10.728 -10.728
  495   2HE   MET  55           HE2      MET  55  -1.054 -11.996 -11.996
  496   3HE   MET  55           HE1      MET  55   0.172 -10.940 -10.940
  497    H    LYS  56            HN      LYS  56  -6.311  -9.175  -9.175
  498    HA   LYS  56            HA      LYS  56  -7.013 -11.549 -11.549
  499   1HB   LYS  56           HB2      LYS  56  -8.484  -9.280  -9.280
  500   2HB   LYS  56           HB1      LYS  56  -9.088  -9.986  -9.986
  501   1HG   LYS  56           HG2      LYS  56  -8.682 -12.262 -12.262
  502   2HG   LYS  56           HG1      LYS  56  -8.743 -11.262 -11.262
  503   1HD   LYS  56           HD2      LYS  56 -10.910 -11.476 -11.476
  504   2HD   LYS  56           HD1      LYS  56 -10.980 -12.165 -12.165
  505   1HE   LYS  56           HE2      LYS  56 -11.863 -10.233 -10.233
  506   2HE   LYS  56           HE1      LYS  56 -10.365  -9.406  -9.406
  507   1HZ   LYS  56           HZ3      LYS  56 -11.604  -9.669  -9.669
  508   2HZ   LYS  56           HZ2      LYS  56 -12.914  -9.405  -9.405
  509   3HZ   LYS  56           HZ1      LYS  56 -11.646  -8.280  -8.280
  510    HA   PRO  57            HA      PRO  57  -5.910  -9.797  -9.797
  511   1HB   PRO  57           HB2      PRO  57  -7.480 -11.214 -11.214
  512   2HB   PRO  57           HB1      PRO  57  -6.015 -11.850 -11.850
  513   1HG   PRO  57           HG2      PRO  57  -8.849 -12.384 -12.384
  514   2HG   PRO  57           HG1      PRO  57  -7.435 -13.387 -13.387
  515   1HD   PRO  57           HD2      PRO  57  -8.758 -11.858 -11.858
  516   2HD   PRO  57           HD1      PRO  57  -7.152 -12.604 -12.604
  517    H    HIS  58            HN      HIS  58  -7.321  -9.318  -9.318
  518    HA   HIS  58            HA      HIS  58  -9.857  -7.975  -7.975
  519   1HB   HIS  58           HB2      HIS  58  -7.314  -6.494  -6.494
  520   2HB   HIS  58           HB1      HIS  58  -8.476  -5.858  -5.858
  521    HD1  HIS  58           HD1      HIS  58 -11.062  -6.547  -6.547
  522    HD2  HIS  58           HD2      HIS  58  -7.699  -4.499  -4.499
  523    HE1  HIS  58           HE1      HIS  58 -11.820  -5.163  -5.163
  524    HA   PRO  59            HA      PRO  59 -10.195  -8.802  -8.802
  525   1HB   PRO  59           HB2      PRO  59 -12.065  -6.944  -6.944
  526   2HB   PRO  59           HB1      PRO  59 -12.462  -8.404  -8.404
  527   1HG   PRO  59           HG2      PRO  59 -12.308  -5.574  -5.574
  528   2HG   PRO  59           HG1      PRO  59 -13.263  -6.921  -6.921
  529   1HD   PRO  59           HD2      PRO  59 -10.843  -5.936  -5.936
  530   2HD   PRO  59           HD1      PRO  59 -11.629  -7.474  -7.474
  531    H    GLU  60            HN      GLU  60  -9.684  -7.903  -7.903
  532    HA   GLU  60            HA      GLU  60  -7.534  -6.014  -6.014
  533   1HB   GLU  60           HB2      GLU  60  -9.279  -6.924  -6.924
  534   2HB   GLU  60           HB1      GLU  60  -7.726  -6.100  -6.100
  535   1HG   GLU  60           HG2      GLU  60  -7.792  -8.541  -8.541
  536   2HG   GLU  60           HG1      GLU  60  -7.927  -8.779  -8.779
  537    H    PHE  61            HN      PHE  61 -10.816  -5.653  -5.653
  538    HA   PHE  61            HA      PHE  61 -10.749  -2.782  -2.782
  539   1HB   PHE  61           HB2      PHE  61 -10.905  -3.901  -3.901
  540   2HB   PHE  61           HB1      PHE  61 -11.979  -2.552  -2.552
  541    HD1  PHE  61           HD2      PHE  61  -8.426  -3.646  -3.646
  542    HD2  PHE  61           HD1      PHE  61 -11.143  -0.332  -0.332
  543    HE1  PHE  61           HE2      PHE  61  -6.524  -2.068  -2.068
  544    HE2  PHE  61           HE1      PHE  61  -9.242   1.246   1.246
  545    HZ   PHE  61            HZ      PHE  61  -6.933   0.378   0.378
  546    H    ILE  62            HN      ILE  62 -12.696  -2.107  -2.107
  547    HA   ILE  62            HA      ILE  62 -14.913  -4.078  -4.078
  548    HB   ILE  62            HB      ILE  62 -14.661  -1.452  -1.452
  549   1HG1  ILE  62          HG12      ILE  62 -14.215  -4.211  -4.211
  550   2HG1  ILE  62          HG11      ILE  62 -12.886  -3.301  -3.301
  551   1HG2  ILE  62          HG21      ILE  62 -16.943  -2.681  -2.681
  552   2HG2  ILE  62          HG23      ILE  62 -16.327  -3.827  -3.827
  553   3HG2  ILE  62          HG22      ILE  62 -16.533  -2.129  -2.129
  554   1HD1  ILE  62          HD13      ILE  62 -13.787  -1.360  -1.360
  555   2HD1  ILE  62          HD12      ILE  62 -14.479  -2.698  -2.698
  556   3HD1  ILE  62          HD11      ILE  62 -12.735  -2.609  -2.609
  557    H    VAL  63            HN      VAL  63 -16.086  -3.879  -3.879
  558    HA   VAL  63            HA      VAL  63 -16.914  -1.127  -1.127
  559    HB   VAL  63            HB      VAL  63 -16.962  -3.690  -3.690
  560   1HG1  VAL  63          HG12      VAL  63 -18.469  -1.502  -1.502
  561   2HG1  VAL  63          HG11      VAL  63 -16.982  -0.965  -0.965
  562   3HG1  VAL  63          HG13      VAL  63 -17.780  -2.442  -2.442
  563   1HG2  VAL  63          HG21      VAL  63 -14.988  -1.385  -1.385
  564   2HG2  VAL  63          HG23      VAL  63 -14.658  -3.063  -3.063
  565   3HG2  VAL  63          HG22      VAL  63 -15.018  -2.636  -2.636
  566    H    THR  64            HN      THR  64 -18.057  -4.360  -4.360
  567    HA   THR  64            HA      THR  64 -20.813  -3.988  -3.988
  568    HB   THR  64            HB      THR  64 -21.244  -5.895  -5.895
  569    HG1  THR  64           HG1      THR  64 -20.088  -6.136  -6.136
  570   1HG2  THR  64          HG23      THR  64 -19.791  -6.032  -6.032
  571   2HG2  THR  64          HG22      THR  64 -18.510  -6.485  -6.485
  572   3HG2  THR  64          HG21      THR  64 -19.982  -7.452  -7.452
  573    H    ASP  65            HN      ASP  65 -22.555  -3.232  -3.232
  574    HA   ASP  65            HA      ASP  65 -22.005  -1.138  -1.138
  575   1HB   ASP  65           HB2      ASP  65 -24.094  -1.452  -1.452
  576   2HB   ASP  65           HB1      ASP  65 -24.645  -2.590  -2.590
  577   1H    SER   1           HT3      SER   1 -11.586 -15.582 -15.582
  578   2H    SER   1           HT2      SER   1 -11.477 -16.579 -16.579
  579   3H    SER   1           HT1      SER   1 -12.995 -16.078 -16.078
  580    HA   SER   1            HA      SER   1 -13.112 -17.642 -17.642
  581   1HB   SER   1           HB2      SER   1 -11.390 -18.569 -18.569
  582   2HB   SER   1           HB1      SER   1 -11.149 -19.485 -19.485
  583    HG   SER   1            HG      SER   1 -13.230 -19.500 -19.500
  584    HA   PRO   2            HA      PRO   2  -8.891 -17.887 -17.887
  585   1HB   PRO   2           HB2      PRO   2  -6.706 -16.657 -16.657
  586   2HB   PRO   2           HB1      PRO   2  -7.150 -18.343 -18.343
  587   1HG   PRO   2           HG2      PRO   2  -7.445 -15.953 -15.953
  588   2HG   PRO   2           HG1      PRO   2  -7.291 -17.662 -17.662
  589   1HD   PRO   2           HD2      PRO   2  -9.699 -16.160 -16.160
  590   2HD   PRO   2           HD1      PRO   2  -9.563 -17.923 -17.923
  591    H    LEU   3            HN      LEU   3  -7.812 -16.353 -16.353
  592    HA   LEU   3            HA      LEU   3  -9.257 -13.900 -13.900
  593   1HB   LEU   3           HB2      LEU   3  -8.170 -15.100 -15.100
  594   2HB   LEU   3           HB1      LEU   3  -6.587 -14.752 -14.752
  595    HG   LEU   3            HG      LEU   3  -7.129 -12.301 -12.301
  596   1HD1  LEU   3          HD13      LEU   3  -9.639 -13.477 -13.477
  597   2HD1  LEU   3          HD12      LEU   3  -9.032 -12.021 -12.021
  598   3HD1  LEU   3          HD11      LEU   3  -9.395 -12.002 -12.002
  599   1HD2  LEU   3          HD21      LEU   3  -6.808 -14.158 -14.158
  600   2HD2  LEU   3          HD23      LEU   3  -5.768 -12.839 -12.839
  601   3HD2  LEU   3          HD22      LEU   3  -7.226 -12.491 -12.491
  602    H    LEU   4            HN      LEU   4  -8.507 -11.720 -11.720
  603    HA   LEU   4            HA      LEU   4  -6.062 -11.386 -11.386
  604   1HB   LEU   4           HB2      LEU   4  -8.858 -10.521 -10.521
  605   2HB   LEU   4           HB1      LEU   4  -7.450  -9.676  -9.676
  606    HG   LEU   4            HG      LEU   4  -7.731 -12.678 -12.678
  607   1HD1  LEU   4          HD11      LEU   4  -8.934 -10.507 -10.507
  608   2HD1  LEU   4          HD13      LEU   4  -8.334 -11.961 -11.961
  609   3HD1  LEU   4          HD12      LEU   4  -9.594 -12.086 -12.086
  610   1HD2  LEU   4          HD21      LEU   4  -5.490 -11.633 -11.633
  611   2HD2  LEU   4          HD23      LEU   4  -6.096 -12.390 -12.390
  612   3HD2  LEU   4          HD22      LEU   4  -6.169 -10.638 -10.638
  613    HA   PRO   5            HA      PRO   5  -6.360  -8.171  -8.171
  614   1HB   PRO   5           HB2      PRO   5  -3.827  -8.537  -8.537
  615   2HB   PRO   5           HB1      PRO   5  -5.241  -9.445  -9.445
  616   1HG   PRO   5           HG2      PRO   5  -2.988 -10.373 -10.373
  617   2HG   PRO   5           HG1      PRO   5  -4.077 -11.322 -11.322
  618   1HD   PRO   5           HD2      PRO   5  -4.241 -11.036 -11.036
  619   2HD   PRO   5           HD1      PRO   5  -5.445 -11.796 -11.796
  620    H    LYS   6            HN      LYS   6  -3.143  -8.825  -8.825
  621    HA   LYS   6            HA      LYS   6  -3.238  -6.196  -6.196
  622   1HB   LYS   6           HB2      LYS   6  -0.943  -7.086  -7.086
  623   2HB   LYS   6           HB1      LYS   6  -1.001  -5.601  -5.601
  624   1HG   LYS   6           HG2      LYS   6  -3.279  -5.259  -5.259
  625   2HG   LYS   6           HG1      LYS   6  -2.465  -6.303  -6.303
  626   1HD   LYS   6           HD2      LYS   6  -0.510  -4.778  -4.778
  627   2HD   LYS   6           HD1      LYS   6  -1.358  -3.720  -3.720
  628   1HE   LYS   6           HE2      LYS   6  -2.864  -4.436  -4.436
  629   2HE   LYS   6           HE1      LYS   6  -1.453  -3.406  -3.406
  630   1HZ   LYS   6           HZ1      LYS   6  -2.326  -1.948  -1.948
  631   2HZ   LYS   6           HZ3      LYS   6  -3.734  -2.893  -2.893
  632   3HZ   LYS   6           HZ2      LYS   6  -3.344  -2.034  -2.034
  633    H    LEU   7            HN      LEU   7  -0.616  -6.230  -6.230
  634    HA   LEU   7            HA      LEU   7  -0.811  -8.074  -8.074
  635   1HB   LEU   7           HB2      LEU   7   0.947  -5.981  -5.981
  636   2HB   LEU   7           HB1      LEU   7   1.947  -7.393  -7.393
  637    HG   LEU   7            HG      LEU   7   1.594  -6.097  -6.097
  638   1HD1  LEU   7          HD11      LEU   7   1.320  -8.790  -8.790
  639   2HD1  LEU   7          HD13      LEU   7  -0.190  -8.375  -8.375
  640   3HD1  LEU   7          HD12      LEU   7   1.355  -7.942  -7.942
  641   1HD2  LEU   7          HD22      LEU   7  -0.930  -5.596  -5.596
  642   2HD2  LEU   7          HD21      LEU   7  -0.412  -5.205  -5.205
  643   3HD2  LEU   7          HD23      LEU   7  -1.265  -6.717  -6.717
  644    HA   PRO   8            HA      PRO   8   0.608 -11.595 -11.595
  645   1HB   PRO   8           HB2      PRO   8   0.068 -13.536 -13.536
  646   2HB   PRO   8           HB1      PRO   8  -1.150 -12.857 -12.857
  647   1HG   PRO   8           HG2      PRO   8  -0.745 -12.329 -12.329
  648   2HG   PRO   8           HG1      PRO   8  -2.230 -12.231 -12.231
  649   1HD   PRO   8           HD2      PRO   8  -0.659 -10.031 -10.031
  650   2HD   PRO   8           HD1      PRO   8  -1.913  -9.999  -9.999
  651    HA   PRO   9            HA      PRO   9   4.646 -11.913 -11.913
  652   1HB   PRO   9           HB2      PRO   9   5.814 -13.607 -13.607
  653   2HB   PRO   9           HB1      PRO   9   5.564 -11.878 -11.878
  654   1HG   PRO   9           HG2      PRO   9   4.086 -14.209 -14.209
  655   2HG   PRO   9           HG1      PRO   9   4.296 -12.582 -12.582
  656   1HD   PRO   9           HD2      PRO   9   1.979 -13.568 -13.568
  657   2HD   PRO   9           HD1      PRO   9   2.306 -11.877 -11.877
  658    H    LYS  10            HN      LYS  10   6.244 -13.895 -13.895
  659    HA   LYS  10            HA      LYS  10   6.566 -15.870 -15.870
  660   1HB   LYS  10           HB2      LYS  10   4.872 -16.493 -16.493
  661   2HB   LYS  10           HB1      LYS  10   4.378 -17.480 -17.480
  662   1HG   LYS  10           HG2      LYS  10   6.079 -18.760 -18.760
  663   2HG   LYS  10           HG1      LYS  10   6.906 -17.962 -17.962
  664   1HD   LYS  10           HD2      LYS  10   7.173 -16.088 -16.088
  665   2HD   LYS  10           HD1      LYS  10   7.246 -17.589 -17.589
  666   1HE   LYS  10           HE2      LYS  10   8.846 -18.070 -18.070
  667   2HE   LYS  10           HE1      LYS  10   9.245 -16.424 -16.424
  668   1HZ   LYS  10           HZ3      LYS  10   9.154 -18.727 -18.727
  669   2HZ   LYS  10           HZ2      LYS  10  10.574 -18.185 -18.185
  670   3HZ   LYS  10           HZ1      LYS  10   9.742 -17.168 -17.168
  671    H    THR  11            HN      THR  11   4.714 -17.708 -17.708
  672    HA   THR  11            HA      THR  11   3.455 -15.998 -15.998
  673    HB   THR  11            HB      THR  11   3.014 -18.438 -18.438
  674    HG1  THR  11           HG1      THR  11   3.814 -19.340 -19.340
  675   1HG2  THR  11          HG23      THR  11   4.686 -16.500 -16.500
  676   2HG2  THR  11          HG22      THR  11   5.887 -17.593 -17.593
  677   3HG2  THR  11          HG21      THR  11   4.895 -18.117 -18.117
  678    H    TYR  12            HN      TYR  12   1.910 -19.112 -19.112
  679    HA   TYR  12            HA      TYR  12  -0.077 -18.351 -18.351
  680   1HB   TYR  12           HB2      TYR  12  -1.917 -18.315 -18.315
  681   2HB   TYR  12           HB1      TYR  12  -1.321 -16.881 -16.881
  682    HD1  TYR  12           HD2      TYR  12  -0.017 -19.173 -19.173
  683    HD2  TYR  12           HD1      TYR  12  -0.777 -15.143 -15.143
  684    HE1  TYR  12           HE2      TYR  12   0.917 -18.327 -18.327
  685    HE2  TYR  12           HE1      TYR  12   0.158 -14.296 -14.296
  686    HH   TYR  12            HH      TYR  12   1.672 -15.027 -15.027
  687    H    LYS  13            HN      LYS  13  -0.236 -20.422 -20.422
  688    HA   LYS  13            HA      LYS  13  -1.137 -22.490 -22.490
  689   1HB   LYS  13           HB2      LYS  13   1.346 -22.547 -22.547
  690   2HB   LYS  13           HB1      LYS  13   0.452 -23.411 -23.411
  691   1HG   LYS  13           HG2      LYS  13  -0.033 -24.151 -24.151
  692   2HG   LYS  13           HG1      LYS  13   1.452 -24.709 -24.709
  693   1HD   LYS  13           HD2      LYS  13   0.247 -25.871 -25.871
  694   2HD   LYS  13           HD1      LYS  13  -1.270 -25.086 -25.086
  695   1HE   LYS  13           HE2      LYS  13   0.290 -27.010 -27.010
  696   2HE   LYS  13           HE1      LYS  13  -1.184 -27.400 -27.400
  697   1HZ   LYS  13           HZ1      LYS  13  -2.117 -25.366 -25.366
  698   2HZ   LYS  13           HZ3      LYS  13  -0.832 -25.654 -25.654
  699   3HZ   LYS  13           HZ2      LYS  13  -1.994 -26.864 -26.864
  700    H    ARG  14            HN      ARG  14  -3.311 -22.034 -22.034
  701    HA   ARG  14            HA      ARG  14  -3.904 -23.312 -23.312
  702   1HB   ARG  14           HB2      ARG  14  -4.920 -20.637 -20.637
  703   2HB   ARG  14           HB1      ARG  14  -5.695 -21.530 -21.530
  704   1HG   ARG  14           HG2      ARG  14  -4.055 -21.016 -21.016
  705   2HG   ARG  14           HG1      ARG  14  -2.773 -21.265 -21.265
  706   1HD   ARG  14           HD2      ARG  14  -3.010 -19.077 -19.077
  707   2HD   ARG  14           HD1      ARG  14  -4.583 -18.850 -18.850
  708    HE   ARG  14            HE      ARG  14  -3.333 -18.809 -18.809
  709   1HH1  ARG  14          HH21      ARG  14  -2.413 -17.057 -17.057
  710   2HH1  ARG  14          HH22      ARG  14  -0.813 -16.687 -16.687
  711   1HH2  ARG  14          HH11      ARG  14  -0.957 -18.858 -18.858
  712   2HH2  ARG  14          HH12      ARG  14   0.010 -17.706 -17.706
  713    H    GLU  15            HN      GLU  15  -4.107 -24.313 -24.313
  714    HA   GLU  15            HA      GLU  15  -6.963 -25.068 -25.068
  715   1HB   GLU  15           HB2      GLU  15  -6.601 -22.976 -22.976
  716   2HB   GLU  15           HB1      GLU  15  -5.808 -24.095 -24.095
  717   1HG   GLU  15           HG2      GLU  15  -7.905 -25.550 -25.550
  718   2HG   GLU  15           HG1      GLU  15  -8.668 -24.161 -24.161

  Start of MODEL    7
    1   1H    GLY  -8           HT1      GLY  -8   9.079  -9.359  -9.359
    2   2H    GLY  -8           HT3      GLY  -8   9.562  -8.484  -8.484
    3   3H    GLY  -8           HT2      GLY  -8  10.345  -9.937  -9.937
    4   1HA   GLY  -8           HA1      GLY  -8  11.137  -8.756  -8.756
    5   2HA   GLY  -8           HA2      GLY  -8  11.877  -8.076  -8.076
    6    H    SER  -7            HN      SER  -7   8.560  -7.488  -7.488
    7    HA   SER  -7            HA      SER  -7   8.866  -6.247  -6.247
    8   1HB   SER  -7           HB2      SER  -7  10.164  -4.731  -4.731
    9   2HB   SER  -7           HB1      SER  -7   8.538  -4.131  -4.131
   10    HG   SER  -7            HG      SER  -7   9.648  -2.983  -2.983
   11    H    ARG  -6            HN      ARG  -6   6.924  -4.467  -4.467
   12    HA   ARG  -6            HA      ARG  -6   4.643  -4.899  -4.899
   13   1HB   ARG  -6           HB2      ARG  -6   3.236  -6.117  -6.117
   14   2HB   ARG  -6           HB1      ARG  -6   4.571  -7.092  -7.092
   15   1HG   ARG  -6           HG2      ARG  -6   5.844  -6.049  -6.049
   16   2HG   ARG  -6           HG1      ARG  -6   4.203  -5.875  -5.875
   17   1HD   ARG  -6           HD2      ARG  -6   4.056  -8.408  -8.408
   18   2HD   ARG  -6           HD1      ARG  -6   5.775  -8.341  -8.341
   19    HE   ARG  -6            HE      ARG  -6   3.686  -7.636  -7.636
   20   1HH1  ARG  -6          HH11      ARG  -6   6.886  -7.643  -7.643
   21   2HH1  ARG  -6          HH12      ARG  -6   7.126  -8.975  -8.975
   22   1HH2  ARG  -6          HH21      ARG  -6   3.835 -10.053 -10.053
   23   2HH2  ARG  -6          HH22      ARG  -6   5.399 -10.339 -10.339
   24    H    ARG  -5            HN      ARG  -5   4.923  -2.541  -2.541
   25    HA   ARG  -5            HA      ARG  -5   4.503  -1.292  -1.292
   26   1HB   ARG  -5           HB2      ARG  -5   5.512  -0.398  -0.398
   27   2HB   ARG  -5           HB1      ARG  -5   3.869   0.232   0.232
   28   1HG   ARG  -5           HG2      ARG  -5   4.746   1.970   1.970
   29   2HG   ARG  -5           HG1      ARG  -5   4.425   0.899   0.899
   30   1HD   ARG  -5           HD2      ARG  -5   6.694   1.600   1.600
   31   2HD   ARG  -5           HD1      ARG  -5   6.772  -0.048  -0.048
   32    HE   ARG  -5            HE      ARG  -5   7.490   0.832   0.832
   33   1HH1  ARG  -5          HH11      ARG  -5   5.836   3.353   3.353
   34   2HH1  ARG  -5          HH12      ARG  -5   7.053   4.572   4.572
   35   1HH2  ARG  -5          HH21      ARG  -5   9.500   2.345   2.345
   36   2HH2  ARG  -5          HH22      ARG  -5   9.128   4.001   4.001
   37    H    ALA  -4            HN      ALA  -4   2.580  -0.607  -0.607
   38    HA   ALA  -4            HA      ALA  -4   0.096  -0.827  -0.827
   39   1HB   ALA  -4           HB3      ALA  -4   0.641  -2.133  -2.133
   40   2HB   ALA  -4           HB2      ALA  -4  -0.997  -1.840  -1.840
   41   3HB   ALA  -4           HB1      ALA  -4   0.087  -2.897  -2.897
   42    H    SER  -3            HN      SER  -3   1.810   1.414   1.414
   43    HA   SER  -3            HA      SER  -3   1.453   3.477   3.477
   44   1HB   SER  -3           HB2      SER  -3  -1.390   2.686   2.686
   45   2HB   SER  -3           HB1      SER  -3  -0.970   4.256   4.256
   46    HG   SER  -3            HG      SER  -3   0.223   4.704   4.704
   47    H    VAL  -2            HN      VAL  -2  -1.621   2.257   2.257
   48    HA   VAL  -2            HA      VAL  -2  -0.307   2.095   2.095
   49    HB   VAL  -2            HB      VAL  -2  -3.129   3.046   3.046
   50   1HG1  VAL  -2          HG13      VAL  -2  -1.407   2.916   2.916
   51   2HG1  VAL  -2          HG12      VAL  -2  -2.875   3.890   3.890
   52   3HG1  VAL  -2          HG11      VAL  -2  -2.966   2.137   2.137
   53   1HG2  VAL  -2          HG21      VAL  -2  -1.228   4.549   4.549
   54   2HG2  VAL  -2          HG23      VAL  -2  -2.350   5.287   5.287
   55   3HG2  VAL  -2          HG22      VAL  -2  -0.767   4.735   4.735
   56    H    GLY  -1            HN      GLY  -1  -1.534   0.661   0.661
   57   1HA   GLY  -1           HA2      GLY  -1  -3.616  -1.084  -1.084
   58   2HA   GLY  -1           HA1      GLY  -1  -2.116  -1.879  -1.879
   59    H    SER   0            HN      SER   0  -4.029  -0.756  -0.756
   60    HA   SER   0            HA      SER   0  -2.086  -1.971  -1.971
   61   1HB   SER   0           HB2      SER   0  -3.986  -0.962  -0.962
   62   2HB   SER   0           HB1      SER   0  -2.671   0.036   0.036
   63    HG   SER   0            HG      SER   0  -4.220   1.171   1.171
   64    H    MET   1            HN      MET   1  -3.262  -3.188  -3.188
   65    HA   MET   1            HA      MET   1  -5.463  -4.838  -4.838
   66   1HB   MET   1           HB2      MET   1  -2.929  -5.664  -5.664
   67   2HB   MET   1           HB1      MET   1  -4.376  -6.617  -6.617
   68   1HG   MET   1           HG2      MET   1  -4.584  -7.355  -7.355
   69   2HG   MET   1           HG1      MET   1  -3.876  -5.890  -5.890
   70   1HE   MET   1           HE2      MET   1  -3.293  -7.955  -7.955
   71   2HE   MET   1           HE1      MET   1  -1.805  -7.050  -7.050
   72   3HE   MET   1           HE3      MET   1  -1.740  -8.779  -8.779
   73    H    GLU   2            HN      GLU   2  -6.232  -6.302  -6.302
   74    HA   GLU   2            HA      GLU   2  -6.901  -4.250  -4.250
   75   1HB   GLU   2           HB2      GLU   2  -8.477  -6.199  -6.199
   76   2HB   GLU   2           HB1      GLU   2  -8.908  -6.045  -6.045
   77   1HG   GLU   2           HG2      GLU   2  -8.656  -3.668  -3.668
   78   2HG   GLU   2           HG1      GLU   2 -10.167  -4.537  -4.537
   79    H    ALA   3            HN      ALA   3  -7.496  -5.420  -5.420
   80    HA   ALA   3            HA      ALA   3  -6.434  -8.109  -8.109
   81   1HB   ALA   3           HB2      ALA   3  -5.141  -5.682  -5.682
   82   2HB   ALA   3           HB1      ALA   3  -5.195  -7.130  -7.130
   83   3HB   ALA   3           HB3      ALA   3  -4.422  -7.191  -7.191
   84    H    ILE   4            HN      ILE   4  -7.971  -9.103  -9.103
   85    HA   ILE   4            HA      ILE   4 -10.140  -7.831  -7.831
   86    HB   ILE   4            HB      ILE   4 -10.247 -10.116 -10.116
   87   1HG1  ILE   4          HG12      ILE   4 -10.765 -10.681 -10.681
   88   2HG1  ILE   4          HG11      ILE   4 -11.388  -9.110  -9.110
   89   1HG2  ILE   4          HG23      ILE   4  -7.871 -10.565 -10.565
   90   2HG2  ILE   4          HG22      ILE   4  -8.844 -11.152 -11.152
   91   3HG2  ILE   4          HG21      ILE   4  -9.034 -11.865 -11.865
   92   1HD1  ILE   4          HD12      ILE   4 -11.831 -11.480 -11.480
   93   2HD1  ILE   4          HD11      ILE   4 -12.843 -11.252 -11.252
   94   3HD1  ILE   4          HD13      ILE   4 -12.797 -10.016 -10.016
   95    H    ALA   5            HN      ALA   5 -10.240  -6.814  -6.814
   96    HA   ALA   5            HA      ALA   5  -8.100  -7.074  -7.074
   97   1HB   ALA   5           HB2      ALA   5 -10.719  -5.552  -5.552
   98   2HB   ALA   5           HB1      ALA   5  -9.828  -5.695  -5.695
   99   3HB   ALA   5           HB3      ALA   5  -9.078  -4.911  -4.911
  100    H    LYS   6            HN      LYS   6  -8.178  -9.225  -9.225
  101    HA   LYS   6            HA      LYS   6 -10.381 -10.876 -10.876
  102   1HB   LYS   6           HB2      LYS   6  -7.821 -10.832 -10.832
  103   2HB   LYS   6           HB1      LYS   6  -8.948 -12.180 -12.180
  104   1HG   LYS   6           HG2      LYS   6  -8.413 -12.575 -12.575
  105   2HG   LYS   6           HG1      LYS   6  -7.689 -10.985 -10.985
  106   1HD   LYS   6           HD2      LYS   6  -5.839 -12.443 -12.443
  107   2HD   LYS   6           HD1      LYS   6  -5.978 -11.731 -11.731
  108   1HE   LYS   6           HE2      LYS   6  -7.110 -13.693 -13.693
  109   2HE   LYS   6           HE1      LYS   6  -7.237 -14.376 -14.376
  110   1HZ   LYS   6           HZ3      LYS   6  -4.820 -14.477 -14.477
  111   2HZ   LYS   6           HZ2      LYS   6  -4.712 -13.845 -13.845
  112   3HZ   LYS   6           HZ1      LYS   6  -5.412 -15.371 -15.371
  113    H    TYR   7            HN      TYR   7  -9.163  -8.281  -8.281
  114    HA   TYR   7            HA      TYR   7 -11.522  -8.614  -8.614
  115   1HB   TYR   7           HB2      TYR   7  -8.761  -8.518  -8.518
  116   2HB   TYR   7           HB1      TYR   7 -10.294  -8.772  -8.772
  117    HD1  TYR   7           HD2      TYR   7  -7.776 -10.268 -10.268
  118    HD2  TYR   7           HD1      TYR   7 -11.420 -10.936 -10.936
  119    HE1  TYR   7           HE2      TYR   7  -7.504 -12.701 -12.701
  120    HE2  TYR   7           HE1      TYR   7 -11.163 -13.384 -13.384
  121    HH   TYR   7            HH      TYR   7  -9.943 -14.882 -14.882
  122    H    ASP   8            HN      ASP   8 -11.174  -6.947  -6.947
  123    HA   ASP   8            HA      ASP   8 -11.147  -4.356  -4.356
  124   1HB   ASP   8           HB2      ASP   8 -12.053  -5.549  -5.549
  125   2HB   ASP   8           HB1      ASP   8 -11.121  -4.090  -4.090
  126    H    PHE   9            HN      PHE   9  -9.819  -2.568  -2.568
  127    HA   PHE   9            HA      PHE   9  -7.471  -2.885  -2.885
  128   1HB   PHE   9           HB2      PHE   9  -6.610  -4.355  -4.355
  129   2HB   PHE   9           HB1      PHE   9  -7.148  -3.287  -3.287
  130    HD1  PHE   9           HD1      PHE   9  -4.655  -3.816  -3.816
  131    HD2  PHE   9           HD2      PHE   9  -5.954  -1.322  -1.322
  132    HE1  PHE   9           HE1      PHE   9  -2.455  -2.669  -2.669
  133    HE2  PHE   9           HE2      PHE   9  -3.746  -0.161  -0.161
  134    HZ   PHE   9            HZ      PHE   9  -2.001  -0.835  -0.835
  135    H    LYS  10            HN      LYS  10  -6.044  -0.832  -0.832
  136    HA   LYS  10            HA      LYS  10  -7.409   1.306   1.306
  137   1HB   LYS  10           HB2      LYS  10  -7.809   2.745   2.745
  138   2HB   LYS  10           HB1      LYS  10  -8.268   1.173   1.173
  139   1HG   LYS  10           HG2      LYS  10  -5.850   1.019   1.019
  140   2HG   LYS  10           HG1      LYS  10  -5.746   2.747   2.747
  141   1HD   LYS  10           HD2      LYS  10  -8.125   2.642   2.642
  142   2HD   LYS  10           HD1      LYS  10  -7.242   1.339   1.339
  143   1HE   LYS  10           HE2      LYS  10  -6.310   2.975   2.975
  144   2HE   LYS  10           HE1      LYS  10  -5.339   3.343   3.343
  145   1HZ   LYS  10           HZ3      LYS  10  -8.038   4.483   4.483
  146   2HZ   LYS  10           HZ2      LYS  10  -6.737   5.195   5.195
  147   3HZ   LYS  10           HZ1      LYS  10  -6.707   5.077   5.077
  148    H    ALA  11            HN      ALA  11  -6.142   3.259   3.259
  149    HA   ALA  11            HA      ALA  11  -3.458   2.630   2.630
  150   1HB   ALA  11           HB2      ALA  11  -4.948   4.453   4.453
  151   2HB   ALA  11           HB1      ALA  11  -4.493   5.430   5.430
  152   3HB   ALA  11           HB3      ALA  11  -3.252   4.869   4.869
  153    H    THR  12            HN      THR  12  -1.588   2.879   2.879
  154    HA   THR  12            HA      THR  12  -1.921   4.143   4.143
  155    HB   THR  12            HB      THR  12  -0.179   2.525   2.525
  156    HG1  THR  12           HG1      THR  12   0.857   1.556   1.556
  157   1HG2  THR  12          HG23      THR  12  -2.755   1.482   1.482
  158   2HG2  THR  12          HG22      THR  12  -1.709   0.488   0.488
  159   3HG2  THR  12          HG21      THR  12  -2.442   1.951   1.951
  160    H    ALA  13            HN      ALA  13  -1.168   5.680   5.680
  161    HA   ALA  13            HA      ALA  13   1.228   6.940   6.940
  162   1HB   ALA  13           HB3      ALA  13   1.565   4.825   4.825
  163   2HB   ALA  13           HB2      ALA  13   2.529   6.301   6.301
  164   3HB   ALA  13           HB1      ALA  13   2.647   5.266   5.266
  165    H    ASP  14            HN      ASP  14   2.137   8.298   8.298
  166    HA   ASP  14            HA      ASP  14  -0.154   9.747   9.747
  167   1HB   ASP  14           HB2      ASP  14   2.033  10.620  10.620
  168   2HB   ASP  14           HB1      ASP  14   2.721  10.338  10.338
  169    H    ASP  15            HN      ASP  15   1.332   7.037   7.037
  170    HA   ASP  15            HA      ASP  15   0.674   7.634   7.634
  171   1HB   ASP  15           HB2      ASP  15   3.350   6.974   6.974
  172   2HB   ASP  15           HB1      ASP  15   2.868   6.129   6.129
  173    H    GLU  16            HN      GLU  16  -0.494   6.019   6.019
  174    HA   GLU  16            HA      GLU  16  -0.230   3.291   3.291
  175   1HB   GLU  16           HB2      GLU  16   0.179   3.798   3.798
  176   2HB   GLU  16           HB1      GLU  16  -1.571   3.929   3.929
  177   1HG   GLU  16           HG2      GLU  16  -1.899   1.700   1.700
  178   2HG   GLU  16           HG1      GLU  16  -0.589   1.560   1.560
  179    H    LEU  17            HN      LEU  17  -2.439   2.043   2.043
  180    HA   LEU  17            HA      LEU  17  -4.576   3.907   3.907
  181   1HB   LEU  17           HB2      LEU  17  -3.636   2.551   2.551
  182   2HB   LEU  17           HB1      LEU  17  -4.027   1.084   1.084
  183    HG   LEU  17            HG      LEU  17  -6.438   1.751   1.751
  184   1HD1  LEU  17          HD13      LEU  17  -5.382   4.246   4.246
  185   2HD1  LEU  17          HD12      LEU  17  -6.215   3.627   3.627
  186   3HD1  LEU  17          HD11      LEU  17  -7.083   3.801   3.801
  187   1HD2  LEU  17          HD22      LEU  17  -4.779   1.084   1.084
  188   2HD2  LEU  17          HD21      LEU  17  -6.181   0.245   0.245
  189   3HD2  LEU  17          HD23      LEU  17  -6.408   1.658   1.658
  190    H    SER  18            HN      SER  18  -6.734   3.438   3.438
  191    HA   SER  18            HA      SER  18  -7.079   1.583   1.583
  192   1HB   SER  18           HB2      SER  18  -8.920   3.758   3.758
  193   2HB   SER  18           HB1      SER  18  -8.535   3.073   3.073
  194    HG   SER  18            HG      SER  18  -7.651   5.240   5.240
  195    H    PHE  19            HN      PHE  19  -8.692   0.016   0.016
  196    HA   PHE  19            HA      PHE  19 -10.842   0.301   0.301
  197   1HB   PHE  19           HB2      PHE  19 -10.278  -1.730  -1.730
  198   2HB   PHE  19           HB1      PHE  19  -9.058  -0.476  -0.476
  199    HD1  PHE  19           HD1      PHE  19  -9.863  -3.614  -3.614
  200    HD2  PHE  19           HD2      PHE  19  -6.803  -0.838  -0.838
  201    HE1  PHE  19           HE1      PHE  19  -8.118  -5.198  -5.198
  202    HE2  PHE  19           HE2      PHE  19  -5.061  -2.419  -2.419
  203    HZ   PHE  19            HZ      PHE  19  -5.720  -4.599  -4.599
  204    H    LYS  20            HN      LYS  20 -12.260  -1.720  -1.720
  205    HA   LYS  20            HA      LYS  20 -12.238  -2.863  -2.863
  206   1HB   LYS  20           HB2      LYS  20 -14.597  -2.495  -2.495
  207   2HB   LYS  20           HB1      LYS  20 -14.649  -2.963  -2.963
  208   1HG   LYS  20           HG2      LYS  20 -13.154  -0.497  -0.497
  209   2HG   LYS  20           HG1      LYS  20 -14.758  -0.350  -0.350
  210   1HD   LYS  20           HD2      LYS  20 -15.470  -1.537  -1.537
  211   2HD   LYS  20           HD1      LYS  20 -13.981  -0.780  -0.780
  212   1HE   LYS  20           HE2      LYS  20 -15.900   0.865   0.865
  213   2HE   LYS  20           HE1      LYS  20 -16.274   0.541   0.541
  214   1HZ   LYS  20           HZ3      LYS  20 -13.631   1.553   1.553
  215   2HZ   LYS  20           HZ2      LYS  20 -14.918   2.599   2.599
  216   3HZ   LYS  20           HZ1      LYS  20 -14.301   1.557   1.557
  217    H    ARG  21            HN      ARG  21 -13.784  -4.911  -4.911
  218    HA   ARG  21            HA      ARG  21 -12.412  -6.930  -6.930
  219   1HB   ARG  21           HB2      ARG  21 -13.432  -7.219  -7.219
  220   2HB   ARG  21           HB1      ARG  21 -15.023  -7.128  -7.128
  221   1HG   ARG  21           HG2      ARG  21 -14.801  -9.184  -9.184
  222   2HG   ARG  21           HG1      ARG  21 -13.040  -9.068  -9.068
  223   1HD   ARG  21           HD2      ARG  21 -12.738  -9.869  -9.869
  224   2HD   ARG  21           HD1      ARG  21 -14.204  -9.104  -9.104
  225    HE   ARG  21            HE      ARG  21 -15.424 -10.988 -10.988
  226   1HH1  ARG  21          HH11      ARG  21 -13.740 -12.749 -12.749
  227   2HH1  ARG  21          HH12      ARG  21 -13.115 -13.800 -13.800
  228   1HH2  ARG  21          HH21      ARG  21 -13.970 -11.690 -11.690
  229   2HH2  ARG  21          HH22      ARG  21 -13.246 -13.200 -13.200
  230    H    GLY  22            HN      GLY  22 -12.746  -6.750  -6.750
  231   1HA   GLY  22           HA2      GLY  22 -14.298  -7.718  -7.718
  232   2HA   GLY  22           HA1      GLY  22 -15.590  -6.820  -6.820
  233    H    ASP  23            HN      ASP  23 -12.916  -4.834  -4.834
  234    HA   ASP  23            HA      ASP  23 -13.841  -3.338  -3.338
  235   1HB   ASP  23           HB2      ASP  23 -13.025  -2.612  -2.612
  236   2HB   ASP  23           HB1      ASP  23 -11.725  -2.091  -2.091
  237    H    ILE  24            HN      ILE  24 -12.873  -4.417  -4.417
  238    HA   ILE  24            HA      ILE  24 -10.136  -5.293  -5.293
  239    HB   ILE  24            HB      ILE  24 -11.707  -4.740  -4.740
  240   1HG1  ILE  24          HG12      ILE  24 -11.972  -7.014  -7.014
  241   2HG1  ILE  24          HG11      ILE  24 -13.257  -6.002  -6.002
  242   1HG2  ILE  24          HG22      ILE  24  -9.171  -5.549  -5.549
  243   2HG2  ILE  24          HG21      ILE  24  -9.949  -7.118  -7.118
  244   3HG2  ILE  24          HG23      ILE  24 -10.167  -6.146  -6.146
  245   1HD1  ILE  24          HD13      ILE  24 -12.178  -7.131  -7.131
  246   2HD1  ILE  24          HD12      ILE  24 -12.059  -8.439  -8.439
  247   3HD1  ILE  24          HD11      ILE  24 -13.624  -7.703  -7.703
  248    H    LEU  25            HN      LEU  25  -8.337  -4.182  -4.182
  249    HA   LEU  25            HA      LEU  25  -8.522  -1.286  -1.286
  250   1HB   LEU  25           HB2      LEU  25  -6.006  -2.937  -2.937
  251   2HB   LEU  25           HB1      LEU  25  -6.186  -1.203  -1.203
  252    HG   LEU  25            HG      LEU  25  -6.220  -2.004  -2.004
  253   1HD1  LEU  25          HD11      LEU  25  -9.128  -2.000  -2.000
  254   2HD1  LEU  25          HD13      LEU  25  -8.544  -1.866  -1.866
  255   3HD1  LEU  25          HD12      LEU  25  -8.175  -0.599  -0.599
  256   1HD2  LEU  25          HD23      LEU  25  -6.621  -4.457  -4.457
  257   2HD2  LEU  25          HD22      LEU  25  -6.824  -4.105  -4.105
  258   3HD2  LEU  25          HD21      LEU  25  -8.235  -4.164  -4.164
  259    H    LYS  26            HN      LYS  26  -7.163  -0.170  -0.170
  260    HA   LYS  26            HA      LYS  26  -6.928  -1.785  -1.785
  261   1HB   LYS  26           HB2      LYS  26  -8.211   0.561   0.561
  262   2HB   LYS  26           HB1      LYS  26  -6.599   1.174   1.174
  263   1HG   LYS  26           HG2      LYS  26  -7.640  -1.024  -1.024
  264   2HG   LYS  26           HG1      LYS  26  -8.373   0.569   0.569
  265   1HD   LYS  26           HD2      LYS  26  -5.376   0.209   0.209
  266   2HD   LYS  26           HD1      LYS  26  -6.301   0.041   0.041
  267   1HE   LYS  26           HE2      LYS  26  -6.358   2.479   2.479
  268   2HE   LYS  26           HE1      LYS  26  -5.427   2.352   2.352
  269   1HZ   LYS  26           HZ2      LYS  26  -7.666   1.732   1.732
  270   2HZ   LYS  26           HZ1      LYS  26  -8.354   2.414   2.414
  271   3HZ   LYS  26           HZ3      LYS  26  -7.383   3.363   3.363
  272    H    VAL  27            HN      VAL  27  -4.886  -2.733  -2.733
  273    HA   VAL  27            HA      VAL  27  -2.600  -1.461  -1.461
  274    HB   VAL  27            HB      VAL  27  -2.673  -3.619  -3.619
  275   1HG1  VAL  27          HG12      VAL  27  -0.504  -2.314  -2.314
  276   2HG1  VAL  27          HG11      VAL  27  -0.452  -4.078  -4.078
  277   3HG1  VAL  27          HG13      VAL  27  -0.424  -3.179  -3.179
  278   1HG2  VAL  27          HG21      VAL  27  -3.907  -3.933  -3.933
  279   2HG2  VAL  27          HG23      VAL  27  -2.787  -5.192  -5.192
  280   3HG2  VAL  27          HG22      VAL  27  -2.286  -4.010  -4.010
  281    H    LEU  28            HN      LEU  28  -1.927   0.497   0.497
  282    HA   LEU  28            HA      LEU  28  -1.889   1.163   1.163
  283   1HB   LEU  28           HB2      LEU  28  -0.579   2.985   2.985
  284   2HB   LEU  28           HB1      LEU  28  -1.584   3.379   3.379
  285    HG   LEU  28            HG      LEU  28  -3.275   2.035   2.035
  286   1HD1  LEU  28          HD11      LEU  28  -1.450   4.059   4.059
  287   2HD1  LEU  28          HD13      LEU  28  -3.011   3.605   3.605
  288   3HD1  LEU  28          HD12      LEU  28  -1.741   2.396   2.396
  289   1HD2  LEU  28          HD23      LEU  28  -3.308   4.302   4.302
  290   2HD2  LEU  28          HD22      LEU  28  -4.608   3.799   3.799
  291   3HD2  LEU  28          HD21      LEU  28  -3.410   4.968   4.968
  292    H    ASN  29            HN      ASN  29   0.280   0.179   0.179
  293    HA   ASN  29            HA      ASN  29   2.413  -0.113  -0.113
  294   1HB   ASN  29           HB2      ASN  29   2.380   2.259   2.259
  295   2HB   ASN  29           HB1      ASN  29   3.305   1.339   1.339
  296   1HD2  ASN  29          HD22      ASN  29   6.226   1.642   1.642
  297   2HD2  ASN  29          HD21      ASN  29   5.506   1.575   1.575
  298    H    GLU  30            HN      GLU  30   4.194  -1.351  -1.351
  299    HA   GLU  30            HA      GLU  30   3.667  -3.187  -3.187
  300   1HB   GLU  30           HB2      GLU  30   5.634  -3.503  -3.503
  301   2HB   GLU  30           HB1      GLU  30   5.119  -4.748  -4.748
  302   1HG   GLU  30           HG2      GLU  30   2.897  -4.783  -4.783
  303   2HG   GLU  30           HG1      GLU  30   3.195  -3.331  -3.331
  304    H    GLU  31            HN      GLU  31   6.334  -4.047  -4.047
  305    HA   GLU  31            HA      GLU  31   8.410  -3.485  -3.485
  306   1HB   GLU  31           HB2      GLU  31   7.759  -0.564  -0.564
  307   2HB   GLU  31           HB1      GLU  31   9.340  -1.292  -1.292
  308   1HG   GLU  31           HG2      GLU  31   9.336  -2.342  -2.342
  309   2HG   GLU  31           HG1      GLU  31   7.611  -2.062  -2.062
  310    H    CYS  32            HN      CYS  32   9.024  -1.476  -1.476
  311    HA   CYS  32            HA      CYS  32   8.591  -0.701  -0.701
  312   1HB   CYS  32           HB2      CYS  32   5.727  -1.650  -1.650
  313   2HB   CYS  32           HB1      CYS  32   6.364  -0.403  -0.403
  314    HG   CYS  32            HG      CYS  32   6.553   1.213   1.213
  315    H    ASP  33            HN      ASP  33   7.055  -1.948  -1.948
  316    HA   ASP  33            HA      ASP  33   8.570  -3.929  -3.929
  317   1HB   ASP  33           HB2      ASP  33   6.287  -2.856  -2.856
  318   2HB   ASP  33           HB1      ASP  33   5.648  -4.377  -4.377
  319    H    GLN  34            HN      GLN  34   8.419  -6.239  -6.239
  320    HA   GLN  34            HA      GLN  34   7.906  -7.383  -7.383
  321   1HB   GLN  34           HB2      GLN  34   9.979  -7.883  -7.883
  322   2HB   GLN  34           HB1      GLN  34   8.921  -8.873  -8.873
  323   1HG   GLN  34           HG2      GLN  34   8.546 -10.430 -10.430
  324   2HG   GLN  34           HG1      GLN  34   8.882  -9.271  -9.271
  325   1HE2  GLN  34          HE22      GLN  34  11.803 -11.704 -11.704
  326   2HE2  GLN  34          HE21      GLN  34  10.136 -12.022 -12.022
  327    H    ASN  35            HN      ASN  35   5.773  -6.658  -6.658
  328    HA   ASN  35            HA      ASN  35   4.155  -9.059  -9.059
  329   1HB   ASN  35           HB2      ASN  35   5.025  -8.075  -8.075
  330   2HB   ASN  35           HB1      ASN  35   3.416  -8.765  -8.765
  331   1HD2  ASN  35          HD22      ASN  35   6.042 -11.454 -11.454
  332   2HD2  ASN  35          HD21      ASN  35   5.759  -9.958  -9.958
  333    H    TRP  36            HN      TRP  36   4.254  -5.871  -5.871
  334    HA   TRP  36            HA      TRP  36   1.314  -5.579  -5.579
  335   1HB   TRP  36           HB2      TRP  36   3.292  -3.295  -3.295
  336   2HB   TRP  36           HB1      TRP  36   1.556  -3.227  -3.227
  337    HD1  TRP  36           HD1      TRP  36   4.392  -5.588  -5.588
  338    HE1  TRP  36           HE1      TRP  36   4.199  -5.693  -5.693
  339    HE3  TRP  36           HE3      TRP  36   0.351  -2.456  -2.456
  340    HZ2  TRP  36           HZ2      TRP  36   2.666  -4.616  -4.616
  341    HZ3  TRP  36           HZ3      TRP  36  -0.376  -2.015  -2.015
  342    HH2  TRP  36           HH2      TRP  36   0.756  -3.098  -3.098
  343    H    TYR  37            HN      TYR  37   0.600  -3.534  -3.534
  344    HA   TYR  37            HA      TYR  37   2.001  -3.536  -3.536
  345   1HB   TYR  37           HB2      TYR  37  -0.972  -3.986  -3.986
  346   2HB   TYR  37           HB1      TYR  37  -0.217  -3.680  -3.680
  347    HD1  TYR  37           HD2      TYR  37   2.218  -5.369  -5.369
  348    HD2  TYR  37           HD1      TYR  37  -1.803  -6.116  -6.116
  349    HE1  TYR  37           HE2      TYR  37   2.567  -7.807  -7.807
  350    HE2  TYR  37           HE1      TYR  37  -1.478  -8.540  -8.540
  351    HH   TYR  37            HH      TYR  37   1.670  -9.905  -9.905
  352    H    LYS  38            HN      LYS  38   1.470  -1.629  -1.629
  353    HA   LYS  38            HA      LYS  38   0.363   0.595   0.595
  354   1HB   LYS  38           HB2      LYS  38   2.550   0.818   0.818
  355   2HB   LYS  38           HB1      LYS  38   1.506   0.821   0.821
  356   1HG   LYS  38           HG2      LYS  38   0.233   2.623   2.623
  357   2HG   LYS  38           HG1      LYS  38   1.933   2.914   2.914
  358   1HD   LYS  38           HD2      LYS  38   1.782   2.640   2.640
  359   2HD   LYS  38           HD1      LYS  38   0.432   3.672   3.672
  360   1HE   LYS  38           HE2      LYS  38   2.079   5.001   5.001
  361   2HE   LYS  38           HE1      LYS  38   3.362   4.087   4.087
  362   1HZ   LYS  38           HZ3      LYS  38   2.310   4.832   4.832
  363   2HZ   LYS  38           HZ2      LYS  38   1.393   5.927   5.927
  364   3HZ   LYS  38           HZ1      LYS  38   3.087   6.041   6.041
  365    H    ALA  39            HN      ALA  39  -1.774   1.182   1.182
  366    HA   ALA  39            HA      ALA  39  -2.992   0.698   0.698
  367   1HB   ALA  39           HB1      ALA  39  -3.105  -1.482  -1.482
  368   2HB   ALA  39           HB3      ALA  39  -4.009  -0.725  -0.725
  369   3HB   ALA  39           HB2      ALA  39  -4.704  -0.798  -0.798
  370    H    GLU  40            HN      GLU  40  -5.534   0.964   0.964
  371    HA   GLU  40            HA      GLU  40  -5.988   3.213   3.213
  372   1HB   GLU  40           HB2      GLU  40  -5.554   4.813   4.813
  373   2HB   GLU  40           HB1      GLU  40  -4.916   3.570   3.570
  374   1HG   GLU  40           HG2      GLU  40  -7.084   3.367   3.367
  375   2HG   GLU  40           HG1      GLU  40  -7.836   4.454   4.454
  376    H    LEU  41            HN      LEU  41  -7.954   3.487   3.487
  377    HA   LEU  41            HA      LEU  41 -10.092   1.859   1.859
  378   1HB   LEU  41           HB2      LEU  41  -9.667   2.844   2.844
  379   2HB   LEU  41           HB1      LEU  41 -11.337   2.699   2.699
  380    HG   LEU  41            HG      LEU  41  -9.364   0.509   0.509
  381   1HD1  LEU  41          HD12      LEU  41 -11.033   1.105   1.105
  382   2HD1  LEU  41          HD11      LEU  41 -10.412  -0.506  -0.506
  383   3HD1  LEU  41          HD13      LEU  41  -9.294   0.827   0.827
  384   1HD2  LEU  41          HD21      LEU  41 -11.601   0.685   0.685
  385   2HD2  LEU  41          HD23      LEU  41 -11.354  -0.808  -0.808
  386   3HD2  LEU  41          HD22      LEU  41 -12.360   0.476   0.476
  387    H    ASN  42            HN      ASN  42 -10.710   2.962   2.962
  388    HA   ASN  42            HA      ASN  42 -11.694   4.692   4.692
  389   1HB   ASN  42           HB2      ASN  42 -13.234   4.170   4.170
  390   2HB   ASN  42           HB1      ASN  42 -13.720   5.559   5.559
  391   1HD2  ASN  42          HD22      ASN  42 -14.947   3.573   3.573
  392   2HD2  ASN  42          HD21      ASN  42 -14.499   5.135   5.135
  393    H    GLY  43            HN      GLY  43  -9.555   5.782   5.782
  394   1HA   GLY  43           HA2      GLY  43  -9.420   8.425   8.425
  395   2HA   GLY  43           HA1      GLY  43 -10.634   8.429   8.429
  396    H    LYS  44            HN      LYS  44  -9.491   6.336   6.336
  397    HA   LYS  44            HA      LYS  44  -7.319   7.807   7.807
  398   1HB   LYS  44           HB2      LYS  44  -9.089   5.544   5.544
  399   2HB   LYS  44           HB1      LYS  44  -7.491   5.692   5.692
  400   1HG   LYS  44           HG2      LYS  44  -7.934   7.832   7.832
  401   2HG   LYS  44           HG1      LYS  44  -9.354   8.043   8.043
  402   1HD   LYS  44           HD2      LYS  44  -9.116   5.988   5.988
  403   2HD   LYS  44           HD1      LYS  44  -9.976   7.523   7.523
  404   1HE   LYS  44           HE2      LYS  44 -11.131   6.598   6.598
  405   2HE   LYS  44           HE1      LYS  44 -10.724   5.057   5.057
  406   1HZ   LYS  44           HZ2      LYS  44 -12.143   7.239   7.239
  407   2HZ   LYS  44           HZ1      LYS  44 -12.945   5.978   5.978
  408   3HZ   LYS  44           HZ3      LYS  44 -11.939   5.632   5.632
  409    H    ASP  45            HN      ASP  45  -5.496   6.387   6.387
  410    HA   ASP  45            HA      ASP  45  -4.883   4.118   4.118
  411   1HB   ASP  45           HB2      ASP  45  -3.656   4.968   4.968
  412   2HB   ASP  45           HB1      ASP  45  -4.691   6.350   6.350
  413    H    GLY  46            HN      GLY  46  -2.315   3.780   3.780
  414   1HA   GLY  46           HA2      GLY  46  -0.342   4.381   4.381
  415   2HA   GLY  46           HA1      GLY  46  -1.458   4.340   4.340
  416    H    PHE  47            HN      PHE  47   0.585   2.782   2.782
  417    HA   PHE  47            HA      PHE  47   0.715   0.206   0.206
  418   1HB   PHE  47           HB2      PHE  47   1.328   0.869   0.869
  419   2HB   PHE  47           HB1      PHE  47   2.027  -0.428  -0.428
  420    HD1  PHE  47           HD2      PHE  47   2.754   0.745   0.745
  421    HD2  PHE  47           HD1      PHE  47   2.939   2.504   2.504
  422    HE1  PHE  47           HE2      PHE  47   4.527   2.295   2.295
  423    HE2  PHE  47           HE1      PHE  47   4.712   4.052   4.052
  424    HZ   PHE  47            HZ      PHE  47   5.506   3.948   3.948
  425    H    ILE  48            HN      ILE  48   0.019  -1.874  -1.874
  426    HA   ILE  48            HA      ILE  48  -2.190  -1.865  -1.865
  427    HB   ILE  48            HB      ILE  48  -3.528  -3.374  -3.374
  428   1HG1  ILE  48          HG12      ILE  48  -2.134  -1.930  -1.930
  429   2HG1  ILE  48          HG11      ILE  48  -1.366  -3.377  -3.377
  430   1HG2  ILE  48          HG21      ILE  48  -3.100  -0.431  -0.431
  431   2HG2  ILE  48          HG23      ILE  48  -4.436  -1.367  -1.367
  432   3HG2  ILE  48          HG22      ILE  48  -4.296  -1.148  -1.148
  433   1HD1  ILE  48          HD11      ILE  48  -4.252  -3.695  -3.695
  434   2HD1  ILE  48          HD13      ILE  48  -3.326  -3.365  -3.365
  435   3HD1  ILE  48          HD12      ILE  48  -2.913  -4.750  -4.750
  436    HA   PRO  49            HA      PRO  49   0.356  -5.429  -5.429
  437   1HB   PRO  49           HB2      PRO  49  -1.132  -6.412  -6.412
  438   2HB   PRO  49           HB1      PRO  49   0.072  -5.113  -5.113
  439   1HG   PRO  49           HG2      PRO  49  -2.932  -4.925  -4.925
  440   2HG   PRO  49           HG1      PRO  49  -1.754  -3.861  -3.861
  441   1HD   PRO  49           HD2      PRO  49  -3.013  -3.260  -3.260
  442   2HD   PRO  49           HD1      PRO  49  -1.544  -2.510  -2.510
  443    H    LYS  50            HN      LYS  50   0.157  -6.818  -6.818
  444    HA   LYS  50            HA      LYS  50  -1.883  -8.084  -8.084
  445   1HB   LYS  50           HB2      LYS  50   0.644  -8.210  -8.210
  446   2HB   LYS  50           HB1      LYS  50   0.602  -9.544  -9.544
  447   1HG   LYS  50           HG2      LYS  50  -0.935 -10.770 -10.770
  448   2HG   LYS  50           HG1      LYS  50  -0.997  -9.410  -9.410
  449   1HD   LYS  50           HD2      LYS  50   1.268  -9.667  -9.667
  450   2HD   LYS  50           HD1      LYS  50   1.629 -10.653 -10.653
  451   1HE   LYS  50           HE2      LYS  50   0.066 -12.410 -12.410
  452   2HE   LYS  50           HE1      LYS  50  -0.027 -11.452 -11.452
  453   1HZ   LYS  50           HZ2      LYS  50   2.594 -12.205 -12.205
  454   2HZ   LYS  50           HZ1      LYS  50   1.720 -13.315 -13.315
  455   3HZ   LYS  50           HZ3      LYS  50   2.181 -11.823 -11.823
  456    H    ASN  51            HN      ASN  51  -0.942  -8.839  -8.839
  457    HA   ASN  51            HA      ASN  51  -1.804 -11.425 -11.425
  458   1HB   ASN  51           HB2      ASN  51  -1.499  -9.177  -9.177
  459   2HB   ASN  51           HB1      ASN  51  -2.414 -10.520 -10.520
  460   1HD2  ASN  51          HD22      ASN  51   0.465 -12.425 -12.425
  461   2HD2  ASN  51          HD21      ASN  51  -1.187 -12.167 -12.167
  462    H    TYR  52            HN      TYR  52  -3.653  -8.469  -8.469
  463    HA   TYR  52            HA      TYR  52  -6.158 -10.034 -10.034
  464   1HB   TYR  52           HB2      TYR  52  -5.678  -7.053  -7.053
  465   2HB   TYR  52           HB1      TYR  52  -7.221  -7.838  -7.838
  466    HD1  TYR  52           HD1      TYR  52  -6.054 -10.333 -10.333
  467    HD2  TYR  52           HD2      TYR  52  -5.716  -6.098  -6.098
  468    HE1  TYR  52           HE1      TYR  52  -5.678 -10.585 -10.585
  469    HE2  TYR  52           HE2      TYR  52  -5.343  -6.343  -6.343
  470    HH   TYR  52            HH      TYR  52  -4.333  -8.825  -8.825
  471    H    ILE  53            HN      ILE  53  -4.668 -10.144 -10.144
  472    HA   ILE  53            HA      ILE  53  -6.565  -9.049  -9.049
  473    HB   ILE  53            HB      ILE  53  -3.999  -8.264  -8.264
  474   1HG1  ILE  53          HG12      ILE  53  -5.068  -6.708  -6.708
  475   2HG1  ILE  53          HG11      ILE  53  -3.636  -7.738  -7.738
  476   1HG2  ILE  53          HG21      ILE  53  -6.320  -7.688  -7.688
  477   2HG2  ILE  53          HG23      ILE  53  -6.409  -6.533  -6.533
  478   3HG2  ILE  53          HG22      ILE  53  -5.159  -6.375  -6.375
  479   1HD1  ILE  53          HD11      ILE  53  -2.885  -6.387  -6.387
  480   2HD1  ILE  53          HD13      ILE  53  -4.092  -5.221  -5.221
  481   3HD1  ILE  53          HD12      ILE  53  -2.752  -5.627  -5.627
  482    H    GLU  54            HN      GLU  54  -6.106  -9.570  -9.570
  483    HA   GLU  54            HA      GLU  54  -4.226 -11.675 -11.675
  484   1HB   GLU  54           HB2      GLU  54  -5.669 -13.348 -13.348
  485   2HB   GLU  54           HB1      GLU  54  -6.964 -12.266 -12.266
  486   1HG   GLU  54           HG2      GLU  54  -7.326 -11.734 -11.734
  487   2HG   GLU  54           HG1      GLU  54  -6.030 -12.848 -12.848
  488    H    MET  55            HN      MET  55  -3.954 -12.097 -12.097
  489    HA   MET  55            HA      MET  55  -4.062  -9.499  -9.499
  490   1HB   MET  55           HB2      MET  55  -1.947 -10.860 -10.860
  491   2HB   MET  55           HB1      MET  55  -2.704 -12.051 -12.051
  492   1HG   MET  55           HG2      MET  55  -2.602 -10.687 -10.687
  493   2HG   MET  55           HG1      MET  55  -2.787  -9.214  -9.214
  494   1HE   MET  55           HE3      MET  55  -0.568 -11.873 -11.873
  495   2HE   MET  55           HE2      MET  55   1.015 -11.664 -11.664
  496   3HE   MET  55           HE1      MET  55  -0.323 -12.296 -12.296
  497    H    LYS  56            HN      LYS  56  -6.054  -9.239  -9.239
  498    HA   LYS  56            HA      LYS  56  -7.116 -11.424 -11.424
  499   1HB   LYS  56           HB2      LYS  56  -8.249  -9.081  -9.081
  500   2HB   LYS  56           HB1      LYS  56  -9.015  -9.636  -9.636
  501   1HG   LYS  56           HG2      LYS  56  -9.383 -11.815 -11.815
  502   2HG   LYS  56           HG1      LYS  56  -8.323 -11.477 -11.477
  503   1HD   LYS  56           HD2      LYS  56 -10.658 -11.286 -11.286
  504   2HD   LYS  56           HD1      LYS  56  -9.897  -9.696  -9.696
  505   1HE   LYS  56           HE2      LYS  56 -12.086  -9.506  -9.506
  506   2HE   LYS  56           HE1      LYS  56 -10.829  -9.255  -9.255
  507   1HZ   LYS  56           HZ2      LYS  56 -12.024 -11.919 -11.919
  508   2HZ   LYS  56           HZ1      LYS  56 -12.727 -10.812 -10.812
  509   3HZ   LYS  56           HZ3      LYS  56 -11.154 -11.381 -11.381
  510    HA   PRO  57            HA      PRO  57  -6.224  -9.366  -9.366
  511   1HB   PRO  57           HB2      PRO  57  -8.286 -10.099 -10.099
  512   2HB   PRO  57           HB1      PRO  57  -6.919 -11.151 -11.151
  513   1HG   PRO  57           HG2      PRO  57  -9.687 -11.191 -11.191
  514   2HG   PRO  57           HG1      PRO  57  -8.531 -12.504 -12.504
  515   1HD   PRO  57           HD2      PRO  57  -9.159 -11.151 -11.151
  516   2HD   PRO  57           HD1      PRO  57  -7.738 -12.189 -12.189
  517    H    HIS  58            HN      HIS  58  -7.712  -8.074  -8.074
  518    HA   HIS  58            HA      HIS  58  -9.959  -6.576  -6.576
  519   1HB   HIS  58           HB2      HIS  58  -8.713  -5.539  -5.539
  520   2HB   HIS  58           HB1      HIS  58  -7.267  -5.413  -5.413
  521    HD1  HIS  58           HD1      HIS  58 -10.754  -3.891  -3.891
  522    HD2  HIS  58           HD2      HIS  58  -6.994  -2.994  -2.994
  523    HE1  HIS  58           HE1      HIS  58 -10.880  -1.501  -1.501
  524    HA   PRO  59            HA      PRO  59  -8.672  -6.004  -6.004
  525   1HB   PRO  59           HB2      PRO  59 -11.109  -6.668  -6.668
  526   2HB   PRO  59           HB1      PRO  59  -9.847  -7.857  -7.857
  527   1HG   PRO  59           HG2      PRO  59 -12.395  -7.312  -7.312
  528   2HG   PRO  59           HG1      PRO  59 -11.440  -8.803  -8.803
  529   1HD   PRO  59           HD2      PRO  59 -11.467  -6.940  -6.940
  530   2HD   PRO  59           HD1      PRO  59 -10.303  -8.263  -8.263
  531    H    GLU  60            HN      GLU  60  -9.776  -4.514  -4.514
  532    HA   GLU  60            HA      GLU  60 -11.917  -2.763  -2.763
  533   1HB   GLU  60           HB2      GLU  60 -10.069  -2.034  -2.034
  534   2HB   GLU  60           HB1      GLU  60  -9.172  -1.497  -1.497
  535   1HG   GLU  60           HG2      GLU  60 -10.929   0.055   0.055
  536   2HG   GLU  60           HG1      GLU  60 -11.979  -0.574  -0.574
  537    H    PHE  61            HN      PHE  61 -12.712  -2.028  -2.028
  538    HA   PHE  61            HA      PHE  61 -10.789  -1.602  -1.602
  539   1HB   PHE  61           HB2      PHE  61 -12.911  -3.509  -3.509
  540   2HB   PHE  61           HB1      PHE  61 -13.411  -2.282  -2.282
  541    HD1  PHE  61           HD2      PHE  61 -11.604  -1.563  -1.563
  542    HD2  PHE  61           HD1      PHE  61 -11.467  -5.222  -5.222
  543    HE1  PHE  61           HE2      PHE  61 -10.080  -2.544  -2.544
  544    HE2  PHE  61           HE1      PHE  61  -9.944  -6.203  -6.203
  545    HZ   PHE  61            HZ      PHE  61  -9.251  -4.864  -4.864
  546    H    ILE  62            HN      ILE  62 -14.304  -1.065  -1.065
  547    HA   ILE  62            HA      ILE  62 -13.799   1.836   1.836
  548    HB   ILE  62            HB      ILE  62 -16.271   0.247   0.247
  549   1HG1  ILE  62          HG12      ILE  62 -14.060   1.213   1.213
  550   2HG1  ILE  62          HG11      ILE  62 -14.139  -0.435  -0.435
  551   1HG2  ILE  62          HG23      ILE  62 -15.386   3.084   3.084
  552   2HG2  ILE  62          HG22      ILE  62 -16.268   2.398   2.398
  553   3HG2  ILE  62          HG21      ILE  62 -17.007   2.428   2.428
  554   1HD1  ILE  62          HD13      ILE  62 -16.602  -0.366  -0.366
  555   2HD1  ILE  62          HD12      ILE  62 -15.987   0.947   0.947
  556   3HD1  ILE  62          HD11      ILE  62 -15.267  -0.659  -0.659
  557    H    VAL  63            HN      VAL  63 -13.737   2.315   2.315
  558    HA   VAL  63            HA      VAL  63 -14.585   2.689   2.689
  559    HB   VAL  63            HB      VAL  63 -16.613   4.043   4.043
  560   1HG1  VAL  63          HG11      VAL  63 -14.861   4.428   4.428
  561   2HG1  VAL  63          HG13      VAL  63 -16.006   5.636   5.636
  562   3HG1  VAL  63          HG12      VAL  63 -14.644   5.148   5.148
  563   1HG2  VAL  63          HG21      VAL  63 -17.897   2.493   2.493
  564   2HG2  VAL  63          HG23      VAL  63 -18.087   4.212   4.212
  565   3HG2  VAL  63          HG22      VAL  63 -17.013   3.227   3.227
  566    H    THR  64            HN      THR  64 -17.174   2.494   2.494
  567    HA   THR  64            HA      THR  64 -17.919  -0.369  -0.369
  568    HB   THR  64            HB      THR  64 -18.002  -0.677  -0.677
  569    HG1  THR  64           HG1      THR  64 -17.925   0.996   0.996
  570   1HG2  THR  64          HG22      THR  64 -15.368   0.395   0.395
  571   2HG2  THR  64          HG21      THR  64 -15.545  -0.533  -0.533
  572   3HG2  THR  64          HG23      THR  64 -15.924  -1.277  -1.277
  573    H    ASP  65            HN      ASP  65 -20.078  -0.464  -0.464
  574    HA   ASP  65            HA      ASP  65 -22.359   0.093   0.093
  575   1HB   ASP  65           HB2      ASP  65 -21.346   0.875   0.875
  576   2HB   ASP  65           HB1      ASP  65 -22.904   1.553   1.553
  577   1H    SER   1           HT2      SER   1 -14.395  -7.212  -7.212
  578   2H    SER   1           HT1      SER   1 -13.016  -6.370  -6.370
  579   3H    SER   1           HT3      SER   1 -13.540  -6.219  -6.219
  580    HA   SER   1            HA      SER   1 -11.635  -7.669  -7.669
  581   1HB   SER   1           HB2      SER   1 -13.181  -9.699  -9.699
  582   2HB   SER   1           HB1      SER   1 -11.441  -9.434  -9.434
  583    HG   SER   1            HG      SER   1 -13.174  -8.568  -8.568
  584    HA   PRO   2            HA      PRO   2 -14.714  -9.267  -9.267
  585   1HB   PRO   2           HB2      PRO   2 -13.368  -8.443  -8.443
  586   2HB   PRO   2           HB1      PRO   2 -14.533  -7.431  -7.431
  587   1HG   PRO   2           HG2      PRO   2 -11.553  -7.241  -7.241
  588   2HG   PRO   2           HG1      PRO   2 -12.752  -5.975  -5.975
  589   1HD   PRO   2           HD2      PRO   2 -11.218  -7.355  -7.355
  590   2HD   PRO   2           HD1      PRO   2 -12.619  -6.308  -6.308
  591    H    LEU   3            HN      LEU   3 -11.648  -9.341  -9.341
  592    HA   LEU   3            HA      LEU   3 -10.650 -11.848 -11.848
  593   1HB   LEU   3           HB2      LEU   3 -12.877 -12.605 -12.605
  594   2HB   LEU   3           HB1      LEU   3 -12.281 -12.096 -12.096
  595    HG   LEU   3            HG      LEU   3 -10.188 -13.577 -13.577
  596   1HD1  LEU   3          HD13      LEU   3 -11.469 -13.972 -13.972
  597   2HD1  LEU   3          HD12      LEU   3 -12.376 -15.157 -15.157
  598   3HD1  LEU   3          HD11      LEU   3 -10.628 -15.319 -15.319
  599   1HD2  LEU   3          HD21      LEU   3 -12.860 -14.542 -14.542
  600   2HD2  LEU   3          HD23      LEU   3 -11.447 -14.052 -14.052
  601   3HD2  LEU   3          HD22      LEU   3 -11.415 -15.552 -15.552
  602    H    LEU   4            HN      LEU   4 -11.146  -9.731  -9.731
  603    HA   LEU   4            HA      LEU   4  -8.964 -10.553 -10.553
  604   1HB   LEU   4           HB2      LEU   4 -10.565  -8.068  -8.068
  605   2HB   LEU   4           HB1      LEU   4  -9.006  -7.903  -7.903
  606    HG   LEU   4            HG      LEU   4 -10.672 -10.228 -10.228
  607   1HD1  LEU   4          HD13      LEU   4 -11.392  -7.350  -7.350
  608   2HD1  LEU   4          HD12      LEU   4 -11.920  -8.697  -8.697
  609   3HD1  LEU   4          HD11      LEU   4 -12.432  -8.603  -8.603
  610   1HD2  LEU   4          HD21      LEU   4  -8.389  -9.468  -9.468
  611   2HD2  LEU   4          HD23      LEU   4  -9.650  -9.823  -9.823
  612   3HD2  LEU   4          HD22      LEU   4  -9.275  -8.150  -8.150
  613    HA   PRO   5            HA      PRO   5  -5.636  -9.164  -9.164
  614   1HB   PRO   5           HB2      PRO   5  -3.550 -10.027 -10.027
  615   2HB   PRO   5           HB1      PRO   5  -4.496 -11.102 -11.102
  616   1HG   PRO   5           HG2      PRO   5  -4.558 -10.845 -10.845
  617   2HG   PRO   5           HG1      PRO   5  -5.006 -12.227 -12.227
  618   1HD   PRO   5           HD2      PRO   5  -6.800 -10.388 -10.388
  619   2HD   PRO   5           HD1      PRO   5  -7.213 -11.616 -11.616
  620    H    LYS   6            HN      LYS   6  -3.210  -8.193  -8.193
  621    HA   LYS   6            HA      LYS   6  -4.007  -5.773  -5.773
  622   1HB   LYS   6           HB2      LYS   6  -2.113  -4.650  -4.650
  623   2HB   LYS   6           HB1      LYS   6  -3.211  -5.353  -5.353
  624   1HG   LYS   6           HG2      LYS   6  -1.746  -7.305  -7.305
  625   2HG   LYS   6           HG1      LYS   6  -0.655  -6.663  -6.663
  626   1HD   LYS   6           HD2      LYS   6   0.272  -5.147  -5.147
  627   2HD   LYS   6           HD1      LYS   6  -1.268  -4.800  -4.800
  628   1HE   LYS   6           HE2      LYS   6   0.156  -5.896  -5.896
  629   2HE   LYS   6           HE1      LYS   6  -1.100  -7.039  -7.039
  630   1HZ   LYS   6           HZ1      LYS   6   0.565  -7.832  -7.832
  631   2HZ   LYS   6           HZ3      LYS   6   1.732  -6.974  -6.974
  632   3HZ   LYS   6           HZ2      LYS   6   0.878  -8.243  -8.243
  633    H    LEU   7            HN      LEU   7  -1.215  -5.018  -5.018
  634    HA   LEU   7            HA      LEU   7  -0.548  -7.115  -7.115
  635   1HB   LEU   7           HB2      LEU   7  -0.930  -4.256  -4.256
  636   2HB   LEU   7           HB1      LEU   7   0.722  -4.668  -4.668
  637    HG   LEU   7            HG      LEU   7  -0.741  -4.789  -4.789
  638   1HD1  LEU   7          HD13      LEU   7   1.104  -6.604  -6.604
  639   2HD1  LEU   7          HD12      LEU   7  -0.295  -7.678  -7.678
  640   3HD1  LEU   7          HD11      LEU   7   0.087  -6.796  -6.796
  641   1HD2  LEU   7          HD21      LEU   7  -2.342  -6.611  -6.611
  642   2HD2  LEU   7          HD23      LEU   7  -2.895  -5.204  -5.204
  643   3HD2  LEU   7          HD22      LEU   7  -2.489  -6.698  -6.698
  644    HA   PRO   8            HA      PRO   8   3.054  -6.950  -6.950
  645   1HB   PRO   8           HB2      PRO   8   3.490  -9.662  -9.662
  646   2HB   PRO   8           HB1      PRO   8   2.388  -8.830  -8.830
  647   1HG   PRO   8           HG2      PRO   8   1.731 -10.537 -10.537
  648   2HG   PRO   8           HG1      PRO   8   0.771 -10.218 -10.218
  649   1HD   PRO   8           HD2      PRO   8   0.382  -9.016  -9.016
  650   2HD   PRO   8           HD1      PRO   8  -0.334  -8.477  -8.477
  651    HA   PRO   9            HA      PRO   9   5.402  -7.361  -7.361
  652   1HB   PRO   9           HB2      PRO   9   7.508  -5.758  -5.758
  653   2HB   PRO   9           HB1      PRO   9   5.981  -5.132  -5.132
  654   1HG   PRO   9           HG2      PRO   9   6.973  -5.103  -5.103
  655   2HG   PRO   9           HG1      PRO   9   5.846  -3.997  -3.997
  656   1HD   PRO   9           HD2      PRO   9   5.126  -6.092  -6.092
  657   2HD   PRO   9           HD1      PRO   9   4.021  -5.214  -5.214
  658    H    LYS  10            HN      LYS  10   7.677  -8.134  -8.134
  659    HA   LYS  10            HA      LYS  10   9.578  -9.459  -9.459
  660   1HB   LYS  10           HB2      LYS  10   8.897  -9.589  -9.589
  661   2HB   LYS  10           HB1      LYS  10  10.471  -9.765  -9.765
  662   1HG   LYS  10           HG2      LYS  10   9.816  -7.277  -7.277
  663   2HG   LYS  10           HG1      LYS  10   8.964  -7.301  -7.301
  664   1HD   LYS  10           HD2      LYS  10  11.148  -8.167  -8.167
  665   2HD   LYS  10           HD1      LYS  10  11.917  -7.710  -7.710
  666   1HE   LYS  10           HE2      LYS  10  11.229  -5.401  -5.401
  667   2HE   LYS  10           HE1      LYS  10  10.280  -5.813  -5.813
  668   1HZ   LYS  10           HZ3      LYS  10  13.214  -6.201  -6.201
  669   2HZ   LYS  10           HZ2      LYS  10  12.481  -4.860  -4.860
  670   3HZ   LYS  10           HZ1      LYS  10  12.263  -6.418  -6.418
  671    H    THR  11            HN      THR  11   7.383 -10.726 -10.726
  672    HA   THR  11            HA      THR  11   7.430 -13.326 -13.326
  673    HB   THR  11            HB      THR  11   6.305 -13.120 -13.120
  674    HG1  THR  11           HG1      THR  11   9.047 -12.822 -12.822
  675   1HG2  THR  11          HG21      THR  11   6.873 -15.178 -15.178
  676   2HG2  THR  11          HG23      THR  11   8.414 -15.054 -15.054
  677   3HG2  THR  11          HG22      THR  11   6.926 -15.322 -15.322
  678    H    TYR  12            HN      TYR  12   5.404 -14.549 -14.549
  679    HA   TYR  12            HA      TYR  12   2.983 -12.785 -12.785
  680   1HB   TYR  12           HB2      TYR  12   2.139 -14.206 -14.206
  681   2HB   TYR  12           HB1      TYR  12   3.581 -13.280 -13.280
  682    HD1  TYR  12           HD1      TYR  12   2.418 -16.638 -16.638
  683    HD2  TYR  12           HD2      TYR  12   5.576 -14.364 -14.364
  684    HE1  TYR  12           HE1      TYR  12   3.608 -18.739 -18.739
  685    HE2  TYR  12           HE2      TYR  12   6.766 -16.465 -16.465
  686    HH   TYR  12            HH      TYR  12   5.312 -19.482 -19.482
  687    H    LYS  13            HN      LYS  13   0.973 -13.878 -13.878
  688    HA   LYS  13            HA      LYS  13   1.195 -16.628 -16.628
  689   1HB   LYS  13           HB2      LYS  13   0.305 -14.295 -14.295
  690   2HB   LYS  13           HB1      LYS  13   0.358 -15.990 -15.990
  691   1HG   LYS  13           HG2      LYS  13   2.821 -15.990 -15.990
  692   2HG   LYS  13           HG1      LYS  13   2.725 -14.260 -14.260
  693   1HD   LYS  13           HD2      LYS  13   3.246 -14.173 -14.173
  694   2HD   LYS  13           HD1      LYS  13   1.488 -14.251 -14.251
  695   1HE   LYS  13           HE2      LYS  13   2.910 -16.855 -16.855
  696   2HE   LYS  13           HE1      LYS  13   3.116 -15.951 -15.951
  697   1HZ   LYS  13           HZ3      LYS  13   0.576 -15.689 -15.689
  698   2HZ   LYS  13           HZ2      LYS  13   0.641 -17.007 -17.007
  699   3HZ   LYS  13           HZ1      LYS  13   1.214 -17.171 -17.171
  700    H    ARG  14            HN      ARG  14  -0.933 -17.554 -17.554
  701    HA   ARG  14            HA      ARG  14  -3.186 -17.951 -17.951
  702   1HB   ARG  14           HB2      ARG  14  -3.192 -15.603 -15.603
  703   2HB   ARG  14           HB1      ARG  14  -3.710 -15.026 -15.026
  704   1HG   ARG  14           HG2      ARG  14  -5.774 -15.579 -15.579
  705   2HG   ARG  14           HG1      ARG  14  -5.333 -17.146 -17.146
  706   1HD   ARG  14           HD2      ARG  14  -4.318 -16.656 -16.656
  707   2HD   ARG  14           HD1      ARG  14  -6.072 -16.766 -16.766
  708    HE   ARG  14            HE      ARG  14  -4.541 -18.910 -18.910
  709   1HH1  ARG  14          HH21      ARG  14  -7.286 -19.516 -19.516
  710   2HH1  ARG  14          HH22      ARG  14  -7.240 -20.327 -20.327
  711   1HH2  ARG  14          HH11      ARG  14  -4.057 -19.206 -19.206
  712   2HH2  ARG  14          HH12      ARG  14  -5.411 -20.153 -20.153
  713    H    GLU  15            HN      GLU  15  -3.274 -18.852 -18.852
  714    HA   GLU  15            HA      GLU  15  -3.410 -16.968 -16.968
  715   1HB   GLU  15           HB2      GLU  15  -1.815 -19.454 -19.454
  716   2HB   GLU  15           HB1      GLU  15  -2.551 -19.216 -19.216
  717   1HG   GLU  15           HG2      GLU  15  -1.335 -17.275 -17.275
  718   2HG   GLU  15           HG1      GLU  15  -1.080 -16.940 -16.940

  Start of MODEL    8
    1   1H    GLY  -8           HT2      GLY  -8  12.955   6.124   6.124
    2   2H    GLY  -8           HT1      GLY  -8  13.744   5.914   5.914
    3   3H    GLY  -8           HT3      GLY  -8  14.094   4.880   4.880
    4   1HA   GLY  -8           HA1      GLY  -8  11.824   4.091   4.091
    5   2HA   GLY  -8           HA2      GLY  -8  12.742   3.628   3.628
    6    H    SER  -7            HN      SER  -7  10.848   3.995   3.995
    7    HA   SER  -7            HA      SER  -7   8.926   4.991   4.991
    8   1HB   SER  -7           HB2      SER  -7   9.685   7.083   7.083
    9   2HB   SER  -7           HB1      SER  -7   8.260   6.620   6.620
   10    HG   SER  -7            HG      SER  -7   7.012   6.932   6.932
   11    H    ARG  -6            HN      ARG  -6   8.580   4.454   4.454
   12    HA   ARG  -6            HA      ARG  -6   7.004   3.178   3.178
   13   1HB   ARG  -6           HB2      ARG  -6   7.844   1.602   1.602
   14   2HB   ARG  -6           HB1      ARG  -6   6.106   1.657   1.657
   15   1HG   ARG  -6           HG2      ARG  -6   5.761   1.035   1.035
   16   2HG   ARG  -6           HG1      ARG  -6   7.501   0.771   0.771
   17   1HD   ARG  -6           HD2      ARG  -6   6.975  -0.681  -0.681
   18   2HD   ARG  -6           HD1      ARG  -6   5.428  -0.844  -0.844
   19    HE   ARG  -6            HE      ARG  -6   7.872  -2.147  -2.147
   20   1HH1  ARG  -6          HH11      ARG  -6   8.093  -1.082  -1.082
   21   2HH1  ARG  -6          HH12      ARG  -6   6.785  -1.674  -1.674
   22   1HH2  ARG  -6          HH21      ARG  -6   4.878  -2.680  -2.680
   23   2HH2  ARG  -6          HH22      ARG  -6   4.965  -2.580  -2.580
   24    H    ARG  -5            HN      ARG  -5   4.570   2.630   2.630
   25    HA   ARG  -5            HA      ARG  -5   3.133   4.833   4.833
   26   1HB   ARG  -5           HB2      ARG  -5   2.223   3.204   3.204
   27   2HB   ARG  -5           HB1      ARG  -5   1.449   4.651   4.651
   28   1HG   ARG  -5           HG2      ARG  -5   4.285   4.587   4.587
   29   2HG   ARG  -5           HG1      ARG  -5   2.888   5.098   5.098
   30   1HD   ARG  -5           HD2      ARG  -5   2.406   6.864   6.864
   31   2HD   ARG  -5           HD1      ARG  -5   3.803   6.359   6.359
   32    HE   ARG  -5            HE      ARG  -5   3.899   8.050   8.050
   33   1HH1  ARG  -5          HH11      ARG  -5   5.811   6.754   6.754
   34   2HH1  ARG  -5          HH12      ARG  -5   7.221   6.531   6.531
   35   1HH2  ARG  -5          HH21      ARG  -5   5.576   7.189   7.189
   36   2HH2  ARG  -5          HH22      ARG  -5   7.087   6.772   6.772
   37    H    ALA  -4            HN      ALA  -4   2.319   4.044   4.044
   38    HA   ALA  -4            HA      ALA  -4   0.981   1.366   1.366
   39   1HB   ALA  -4           HB1      ALA  -4   2.461   2.849   2.849
   40   2HB   ALA  -4           HB3      ALA  -4   1.268   1.620   1.620
   41   3HB   ALA  -4           HB2      ALA  -4   2.678   1.187   1.187
   42    H    SER  -3            HN      SER  -3   0.746   4.670   4.670
   43    HA   SER  -3            HA      SER  -3  -1.115   5.935   5.935
   44   1HB   SER  -3           HB2      SER  -3  -2.453   4.007   4.007
   45   2HB   SER  -3           HB1      SER  -3  -3.261   5.406   5.406
   46    HG   SER  -3            HG      SER  -3  -2.342   5.897   5.897
   47    H    VAL  -2            HN      VAL  -2  -3.151   3.032   3.032
   48    HA   VAL  -2            HA      VAL  -2  -3.382   3.008   3.008
   49    HB   VAL  -2            HB      VAL  -2  -5.418   2.024   2.024
   50   1HG1  VAL  -2          HG11      VAL  -2  -5.289   2.273   2.273
   51   2HG1  VAL  -2          HG13      VAL  -2  -6.845   2.470   2.470
   52   3HG1  VAL  -2          HG12      VAL  -2  -5.945   0.965   0.965
   53   1HG2  VAL  -2          HG23      VAL  -2  -4.964   4.708   4.708
   54   2HG2  VAL  -2          HG22      VAL  -2  -5.464   4.328   4.328
   55   3HG2  VAL  -2          HG21      VAL  -2  -6.615   4.176   4.176
   56    H    GLY  -1            HN      GLY  -1  -2.936   1.095   1.095
   57   1HA   GLY  -1           HA2      GLY  -1  -3.176  -1.503  -1.503
   58   2HA   GLY  -1           HA1      GLY  -1  -1.496  -0.978  -0.978
   59    H    SER   0            HN      SER   0  -4.086  -1.941  -1.941
   60    HA   SER   0            HA      SER   0  -2.117  -2.616  -2.616
   61   1HB   SER   0           HB2      SER   0  -3.764  -1.379  -1.379
   62   2HB   SER   0           HB1      SER   0  -2.420  -0.520  -0.520
   63    HG   SER   0            HG      SER   0  -3.803   0.411   0.411
   64    H    MET   1            HN      MET   1  -3.342  -3.646  -3.646
   65    HA   MET   1            HA      MET   1  -5.767  -5.069  -5.069
   66   1HB   MET   1           HB2      MET   1  -3.263  -6.120  -6.120
   67   2HB   MET   1           HB1      MET   1  -4.784  -6.910  -6.910
   68   1HG   MET   1           HG2      MET   1  -5.227  -7.532  -7.532
   69   2HG   MET   1           HG1      MET   1  -4.116  -6.334  -6.334
   70   1HE   MET   1           HE3      MET   1  -3.535  -8.105  -8.105
   71   2HE   MET   1           HE2      MET   1  -2.343  -9.372  -9.372
   72   3HE   MET   1           HE1      MET   1  -4.032  -9.657  -9.657
   73    H    GLU   2            HN      GLU   2  -6.587  -6.369  -6.369
   74    HA   GLU   2            HA      GLU   2  -6.934  -4.206  -4.206
   75   1HB   GLU   2           HB2      GLU   2  -8.862  -5.488  -5.488
   76   2HB   GLU   2           HB1      GLU   2  -8.945  -6.337  -6.337
   77   1HG   GLU   2           HG2      GLU   2  -9.332  -4.292  -4.292
   78   2HG   GLU   2           HG1      GLU   2  -8.978  -3.324  -3.324
   79    H    ALA   3            HN      ALA   3  -7.769  -5.425  -5.425
   80    HA   ALA   3            HA      ALA   3  -6.567  -8.008  -8.008
   81   1HB   ALA   3           HB1      ALA   3  -5.384  -5.523  -5.523
   82   2HB   ALA   3           HB3      ALA   3  -5.122  -7.119  -7.119
   83   3HB   ALA   3           HB2      ALA   3  -4.592  -6.781  -6.781
   84    H    ILE   4            HN      ILE   4  -8.085  -8.938  -8.938
   85    HA   ILE   4            HA      ILE   4 -10.162  -7.646  -7.646
   86    HB   ILE   4            HB      ILE   4 -10.440  -9.827  -9.827
   87   1HG1  ILE   4          HG12      ILE   4 -10.607 -10.659 -10.659
   88   2HG1  ILE   4          HG11      ILE   4 -11.275  -9.050  -9.050
   89   1HG2  ILE   4          HG23      ILE   4  -7.917 -10.359 -10.359
   90   2HG2  ILE   4          HG22      ILE   4  -8.860 -11.217 -11.217
   91   3HG2  ILE   4          HG21      ILE   4  -9.070 -11.595 -11.595
   92   1HD1  ILE   4          HD13      ILE   4 -11.937 -11.345 -11.345
   93   2HD1  ILE   4          HD12      ILE   4 -12.825 -11.068 -11.068
   94   3HD1  ILE   4          HD11      ILE   4 -12.811  -9.834  -9.834
   95    H    ALA   5            HN      ALA   5 -10.146  -6.717  -6.717
   96    HA   ALA   5            HA      ALA   5  -7.954  -7.119  -7.119
   97   1HB   ALA   5           HB3      ALA   5 -10.522  -5.515  -5.515
   98   2HB   ALA   5           HB2      ALA   5  -9.462  -5.669  -5.669
   99   3HB   ALA   5           HB1      ALA   5  -8.866  -4.909  -4.909
  100    H    LYS   6            HN      LYS   6  -8.054  -9.213  -9.213
  101    HA   LYS   6            HA      LYS   6 -10.362 -10.764 -10.764
  102   1HB   LYS   6           HB2      LYS   6  -7.714 -10.864 -10.864
  103   2HB   LYS   6           HB1      LYS   6  -8.916 -12.150 -12.150
  104   1HG   LYS   6           HG2      LYS   6  -8.495 -12.637 -12.637
  105   2HG   LYS   6           HG1      LYS   6  -7.809 -11.044 -11.044
  106   1HD   LYS   6           HD2      LYS   6  -5.942 -12.514 -12.514
  107   2HD   LYS   6           HD1      LYS   6  -5.928 -11.689 -11.689
  108   1HE   LYS   6           HE2      LYS   6  -7.283 -13.659 -13.659
  109   2HE   LYS   6           HE1      LYS   6  -6.918 -14.486 -14.486
  110   1HZ   LYS   6           HZ2      LYS   6  -4.889 -13.376 -13.376
  111   2HZ   LYS   6           HZ1      LYS   6  -5.326 -15.015 -15.015
  112   3HZ   LYS   6           HZ3      LYS   6  -4.578 -14.258 -14.258
  113    H    TYR   7            HN      TYR   7  -8.788  -8.308  -8.308
  114    HA   TYR   7            HA      TYR   7 -11.083  -8.510  -8.510
  115   1HB   TYR   7           HB2      TYR   7  -8.244  -8.229  -8.229
  116   2HB   TYR   7           HB1      TYR   7  -9.701  -8.452  -8.452
  117    HD1  TYR   7           HD1      TYR   7  -7.635 -10.071 -10.071
  118    HD2  TYR   7           HD2      TYR   7 -10.412 -10.626 -10.626
  119    HE1  TYR   7           HE1      TYR   7  -7.282 -12.510 -12.510
  120    HE2  TYR   7           HE2      TYR   7 -10.086 -13.083 -13.083
  121    HH   TYR   7            HH      TYR   7  -8.087 -14.622 -14.622
  122    H    ASP   8            HN      ASP   8 -10.601  -6.642  -6.642
  123    HA   ASP   8            HA      ASP   8 -10.427  -4.215  -4.215
  124   1HB   ASP   8           HB2      ASP   8 -11.756  -3.175  -3.175
  125   2HB   ASP   8           HB1      ASP   8 -12.456  -4.786  -4.786
  126    H    PHE   9            HN      PHE   9  -9.314  -2.308  -2.308
  127    HA   PHE   9            HA      PHE   9  -7.562  -2.405  -2.405
  128   1HB   PHE   9           HB2      PHE   9  -6.575  -4.092  -4.092
  129   2HB   PHE   9           HB1      PHE   9  -5.790  -2.581  -2.581
  130    HD1  PHE   9           HD1      PHE   9  -5.823  -1.496  -1.496
  131    HD2  PHE   9           HD2      PHE   9  -4.506  -5.167  -5.167
  132    HE1  PHE   9           HE1      PHE   9  -4.167  -1.798  -1.798
  133    HE2  PHE   9           HE2      PHE   9  -2.861  -5.478  -5.478
  134    HZ   PHE   9            HZ      PHE   9  -2.692  -3.793  -3.793
  135    H    LYS  10            HN      LYS  10  -7.625  -0.202  -0.202
  136    HA   LYS  10            HA      LYS  10  -7.916   1.762   1.762
  137   1HB   LYS  10           HB2      LYS  10  -8.361   1.807   1.807
  138   2HB   LYS  10           HB1      LYS  10  -6.824   2.667   2.667
  139   1HG   LYS  10           HG2      LYS  10  -8.104   3.889   3.889
  140   2HG   LYS  10           HG1      LYS  10  -9.500   3.458   3.458
  141   1HD   LYS  10           HD2      LYS  10  -7.056   4.930   4.930
  142   2HD   LYS  10           HD1      LYS  10  -8.570   5.707   5.707
  143   1HE   LYS  10           HE2      LYS  10  -8.894   3.448   3.448
  144   2HE   LYS  10           HE1      LYS  10  -7.993   4.813   4.813
  145   1HZ   LYS  10           HZ3      LYS  10  -9.896   6.192   6.192
  146   2HZ   LYS  10           HZ2      LYS  10 -10.758   4.728   4.728
  147   3HZ   LYS  10           HZ1      LYS  10 -10.162   5.391   5.391
  148    H    ALA  11            HN      ALA  11  -6.407   3.520   3.520
  149    HA   ALA  11            HA      ALA  11  -3.849   2.487   2.487
  150   1HB   ALA  11           HB1      ALA  11  -4.979   4.344   4.344
  151   2HB   ALA  11           HB3      ALA  11  -4.680   5.384   5.384
  152   3HB   ALA  11           HB2      ALA  11  -3.319   4.736   4.736
  153    H    THR  12            HN      THR  12  -1.967   2.488   2.488
  154    HA   THR  12            HA      THR  12  -2.152   3.840   3.840
  155    HB   THR  12            HB      THR  12  -0.135   2.272   2.272
  156    HG1  THR  12           HG1      THR  12  -1.327   0.873   0.873
  157   1HG2  THR  12          HG22      THR  12  -2.963   1.282   1.282
  158   2HG2  THR  12          HG21      THR  12  -1.739   0.378   0.378
  159   3HG2  THR  12          HG23      THR  12  -2.290   1.944   1.944
  160    H    ALA  13            HN      ALA  13   0.339   3.088   3.088
  161    HA   ALA  13            HA      ALA  13   2.202   5.070   5.070
  162   1HB   ALA  13           HB2      ALA  13   1.886   3.518   3.518
  163   2HB   ALA  13           HB1      ALA  13   3.025   4.868   4.868
  164   3HB   ALA  13           HB3      ALA  13   3.215   3.493   3.493
  165    H    ASP  14            HN      ASP  14   2.859   6.924   6.924
  166    HA   ASP  14            HA      ASP  14   0.702   8.753   8.753
  167   1HB   ASP  14           HB2      ASP  14   3.214   9.055   9.055
  168   2HB   ASP  14           HB1      ASP  14   3.394   9.135   9.135
  169    H    ASP  15            HN      ASP  15   2.001   6.427   6.427
  170    HA   ASP  15            HA      ASP  15   0.538   7.645   7.645
  171   1HB   ASP  15           HB2      ASP  15   3.039   7.769   7.769
  172   2HB   ASP  15           HB1      ASP  15   3.041   6.007   6.007
  173    H    GLU  16            HN      GLU  16  -0.330   5.644   5.644
  174    HA   GLU  16            HA      GLU  16  -0.452   3.157   3.157
  175   1HB   GLU  16           HB2      GLU  16  -0.040   3.251   3.251
  176   2HB   GLU  16           HB1      GLU  16  -1.772   3.557   3.557
  177   1HG   GLU  16           HG2      GLU  16  -2.343   1.472   1.472
  178   2HG   GLU  16           HG1      GLU  16  -0.844   1.306   1.306
  179    H    LEU  17            HN      LEU  17  -2.787   2.136   2.136
  180    HA   LEU  17            HA      LEU  17  -4.722   4.279   4.279
  181   1HB   LEU  17           HB2      LEU  17  -3.821   3.186   3.186
  182   2HB   LEU  17           HB1      LEU  17  -4.341   1.625   1.625
  183    HG   LEU  17            HG      LEU  17  -6.686   2.430   2.430
  184   1HD1  LEU  17          HD11      LEU  17  -5.431   4.975   4.975
  185   2HD1  LEU  17          HD13      LEU  17  -6.377   4.687   4.687
  186   3HD1  LEU  17          HD12      LEU  17  -7.153   4.628   4.628
  187   1HD2  LEU  17          HD23      LEU  17  -5.337   1.381   1.381
  188   2HD2  LEU  17          HD22      LEU  17  -6.979   1.998   1.998
  189   3HD2  LEU  17          HD21      LEU  17  -5.595   2.985   2.985
  190    H    SER  18            HN      SER  18  -6.648   4.182   4.182
  191    HA   SER  18            HA      SER  18  -7.190   2.064   2.064
  192   1HB   SER  18           HB2      SER  18  -9.085   4.154   4.154
  193   2HB   SER  18           HB1      SER  18  -8.811   3.447   3.447
  194    HG   SER  18            HG      SER  18  -7.687   5.621   5.621
  195    H    PHE  19            HN      PHE  19  -8.129   0.208   0.208
  196    HA   PHE  19            HA      PHE  19 -10.284   0.402   0.402
  197   1HB   PHE  19           HB2      PHE  19  -9.565  -1.802  -1.802
  198   2HB   PHE  19           HB1      PHE  19  -8.309  -0.584  -0.584
  199    HD1  PHE  19           HD1      PHE  19  -9.415  -3.468  -3.468
  200    HD2  PHE  19           HD2      PHE  19  -6.204  -0.781  -0.781
  201    HE1  PHE  19           HE1      PHE  19  -7.833  -4.892  -4.892
  202    HE2  PHE  19           HE2      PHE  19  -4.627  -2.200  -2.200
  203    HZ   PHE  19            HZ      PHE  19  -5.442  -4.258  -4.258
  204    H    LYS  20            HN      LYS  20 -11.689  -1.601  -1.601
  205    HA   LYS  20            HA      LYS  20 -12.079  -2.380  -2.380
  206   1HB   LYS  20           HB2      LYS  20 -14.147  -2.266  -2.266
  207   2HB   LYS  20           HB1      LYS  20 -14.445  -2.516  -2.516
  208   1HG   LYS  20           HG2      LYS  20 -12.904  -0.121  -0.121
  209   2HG   LYS  20           HG1      LYS  20 -14.258  -0.045  -0.045
  210   1HD   LYS  20           HD2      LYS  20 -14.644  -0.855  -0.855
  211   2HD   LYS  20           HD1      LYS  20 -14.664   0.840   0.840
  212   1HE   LYS  20           HE2      LYS  20 -16.719   0.658   0.658
  213   2HE   LYS  20           HE1      LYS  20 -16.325  -0.880  -0.880
  214   1HZ   LYS  20           HZ1      LYS  20 -16.568  -1.910  -1.910
  215   2HZ   LYS  20           HZ3      LYS  20 -17.184  -0.434  -0.434
  216   3HZ   LYS  20           HZ2      LYS  20 -18.009  -1.290  -1.290
  217    H    ARG  21            HN      ARG  21 -13.448  -4.481  -4.481
  218    HA   ARG  21            HA      ARG  21 -11.934  -6.528  -6.528
  219   1HB   ARG  21           HB2      ARG  21 -12.471  -6.997  -6.997
  220   2HB   ARG  21           HB1      ARG  21 -14.170  -6.618  -6.618
  221   1HG   ARG  21           HG2      ARG  21 -13.368  -8.695  -8.695
  222   2HG   ARG  21           HG1      ARG  21 -12.907  -9.156  -9.156
  223   1HD   ARG  21           HD2      ARG  21 -15.328  -8.227  -8.227
  224   2HD   ARG  21           HD1      ARG  21 -15.626  -8.652  -8.652
  225    HE   ARG  21            HE      ARG  21 -14.831 -10.988 -10.988
  226   1HH1  ARG  21          HH21      ARG  21 -13.934 -11.432 -11.432
  227   2HH1  ARG  21          HH22      ARG  21 -15.276 -11.472 -11.472
  228   1HH2  ARG  21          HH11      ARG  21 -17.448  -9.881  -9.881
  229   2HH2  ARG  21          HH12      ARG  21 -17.265 -10.593 -10.593
  230    H    GLY  22            HN      GLY  22 -12.458  -6.515  -6.515
  231   1HA   GLY  22           HA2      GLY  22 -14.044  -7.695  -7.695
  232   2HA   GLY  22           HA1      GLY  22 -15.345  -6.857  -6.857
  233    H    ASP  23            HN      ASP  23 -12.748  -4.731  -4.731
  234    HA   ASP  23            HA      ASP  23 -13.962  -3.337  -3.337
  235   1HB   ASP  23           HB2      ASP  23 -12.481  -2.668  -2.668
  236   2HB   ASP  23           HB1      ASP  23 -12.007  -1.742  -1.742
  237    H    ILE  24            HN      ILE  24 -13.050  -4.443  -4.443
  238    HA   ILE  24            HA      ILE  24 -10.254  -5.128  -5.128
  239    HB   ILE  24            HB      ILE  24 -11.918  -4.695  -4.695
  240   1HG1  ILE  24          HG12      ILE  24 -12.131  -6.879  -6.879
  241   2HG1  ILE  24          HG11      ILE  24 -13.436  -5.968  -5.968
  242   1HG2  ILE  24          HG21      ILE  24  -9.347  -5.429  -5.429
  243   2HG2  ILE  24          HG23      ILE  24 -10.094  -7.010  -7.010
  244   3HG2  ILE  24          HG22      ILE  24 -10.329  -6.072  -6.072
  245   1HD1  ILE  24          HD12      ILE  24 -12.330  -7.163  -7.163
  246   2HD1  ILE  24          HD11      ILE  24 -12.032  -8.384  -8.384
  247   3HD1  ILE  24          HD13      ILE  24 -13.678  -7.838  -7.838
  248    H    LEU  25            HN      LEU  25  -8.553  -4.044  -4.044
  249    HA   LEU  25            HA      LEU  25  -8.998  -1.133  -1.133
  250   1HB   LEU  25           HB2      LEU  25  -6.499  -2.626  -2.626
  251   2HB   LEU  25           HB1      LEU  25  -6.690  -0.875  -0.875
  252    HG   LEU  25            HG      LEU  25  -8.774  -1.383  -1.383
  253   1HD1  LEU  25          HD12      LEU  25  -6.978  -3.803  -3.803
  254   2HD1  LEU  25          HD11      LEU  25  -7.974  -3.244  -3.244
  255   3HD1  LEU  25          HD13      LEU  25  -8.731  -3.763  -3.763
  256   1HD2  LEU  25          HD21      LEU  25  -6.572  -0.110  -0.110
  257   2HD2  LEU  25          HD23      LEU  25  -7.420  -0.756  -0.756
  258   3HD2  LEU  25          HD22      LEU  25  -6.018  -1.597  -1.597
  259    H    LYS  26            HN      LYS  26  -7.378  -0.047  -0.047
  260    HA   LYS  26            HA      LYS  26  -6.921  -1.782  -1.782
  261   1HB   LYS  26           HB2      LYS  26  -8.136   0.671   0.671
  262   2HB   LYS  26           HB1      LYS  26  -6.473   1.166   1.166
  263   1HG   LYS  26           HG2      LYS  26  -6.444   0.221   0.221
  264   2HG   LYS  26           HG1      LYS  26  -7.494  -1.115  -1.115
  265   1HD   LYS  26           HD2      LYS  26  -8.707   1.602   1.602
  266   2HD   LYS  26           HD1      LYS  26  -8.348   0.894   0.894
  267   1HE   LYS  26           HE2      LYS  26  -9.612  -1.135  -1.135
  268   2HE   LYS  26           HE1      LYS  26  -9.981  -0.418  -0.418
  269   1HZ   LYS  26           HZ2      LYS  26 -10.655   0.981   0.981
  270   2HZ   LYS  26           HZ1      LYS  26 -11.696  -0.194  -0.194
  271   3HZ   LYS  26           HZ3      LYS  26 -11.320   1.193   1.193
  272    H    VAL  27            HN      VAL  27  -4.941  -2.733  -2.733
  273    HA   VAL  27            HA      VAL  27  -2.810  -1.704  -1.704
  274    HB   VAL  27            HB      VAL  27  -2.420  -3.405  -3.405
  275   1HG1  VAL  27          HG13      VAL  27  -0.468  -2.401  -2.401
  276   2HG1  VAL  27          HG12      VAL  27  -0.961  -3.547  -3.547
  277   3HG1  VAL  27          HG11      VAL  27  -0.437  -4.133  -4.133
  278   1HG2  VAL  27          HG22      VAL  27  -3.770  -3.970  -3.970
  279   2HG2  VAL  27          HG21      VAL  27  -3.931  -4.791  -4.791
  280   3HG2  VAL  27          HG23      VAL  27  -2.569  -5.166  -5.166
  281    H    LEU  28            HN      LEU  28  -1.818   0.162   0.162
  282    HA   LEU  28            HA      LEU  28  -1.544   1.516   1.516
  283   1HB   LEU  28           HB2      LEU  28  -1.202   2.184   2.184
  284   2HB   LEU  28           HB1      LEU  28  -0.097   3.004   3.004
  285    HG   LEU  28            HG      LEU  28  -1.998   3.835   3.835
  286   1HD1  LEU  28          HD12      LEU  28  -3.651   2.382   2.382
  287   2HD1  LEU  28          HD11      LEU  28  -4.306   3.504   3.504
  288   3HD1  LEU  28          HD13      LEU  28  -3.568   1.991   1.991
  289   1HD2  LEU  28          HD22      LEU  28  -1.141   5.116   5.116
  290   2HD2  LEU  28          HD21      LEU  28  -2.852   5.409   5.409
  291   3HD2  LEU  28          HD23      LEU  28  -2.360   4.330   4.330
  292    H    ASN  29            HN      ASN  29   0.364  -0.349  -0.349
  293    HA   ASN  29            HA      ASN  29   2.488  -0.650  -0.650
  294   1HB   ASN  29           HB2      ASN  29   2.773   1.658   1.658
  295   2HB   ASN  29           HB1      ASN  29   3.449   0.641   0.641
  296   1HD2  ASN  29          HD22      ASN  29   5.433   0.885   0.885
  297   2HD2  ASN  29          HD21      ASN  29   3.778   1.255   1.255
  298    H    GLU  30            HN      GLU  30   4.364  -1.931  -1.931
  299    HA   GLU  30            HA      GLU  30   3.537  -3.597  -3.597
  300   1HB   GLU  30           HB2      GLU  30   4.537  -5.571  -5.571
  301   2HB   GLU  30           HB1      GLU  30   3.090  -4.936  -4.936
  302   1HG   GLU  30           HG2      GLU  30   4.494  -3.626  -3.626
  303   2HG   GLU  30           HG1      GLU  30   5.936  -4.270  -4.270
  304    H    GLU  31            HN      GLU  31   5.098  -1.525  -1.525
  305    HA   GLU  31            HA      GLU  31   7.901  -2.565  -2.565
  306   1HB   GLU  31           HB2      GLU  31   6.760   0.223   0.223
  307   2HB   GLU  31           HB1      GLU  31   8.407  -0.067  -0.067
  308   1HG   GLU  31           HG2      GLU  31   9.025  -1.083  -1.083
  309   2HG   GLU  31           HG1      GLU  31   7.345  -1.119  -1.119
  310    H    CYS  32            HN      CYS  32   8.975  -1.117  -1.117
  311    HA   CYS  32            HA      CYS  32   9.094  -0.817  -0.817
  312   1HB   CYS  32           HB2      CYS  32   6.397  -0.253  -0.253
  313   2HB   CYS  32           HB1      CYS  32   6.334  -1.447  -1.447
  314    HG   CYS  32            HG      CYS  32   7.600   1.387   1.387
  315    H    ASP  33            HN      ASP  33   7.825  -2.214  -2.214
  316    HA   ASP  33            HA      ASP  33   9.189  -4.499  -4.499
  317   1HB   ASP  33           HB2      ASP  33   7.271  -3.318  -3.318
  318   2HB   ASP  33           HB1      ASP  33   6.327  -4.643  -4.643
  319    H    GLN  34            HN      GLN  34   8.713  -6.771  -6.771
  320    HA   GLN  34            HA      GLN  34   7.569  -7.446  -7.446
  321   1HB   GLN  34           HB2      GLN  34   8.908  -9.241  -9.241
  322   2HB   GLN  34           HB1      GLN  34   8.519  -9.673  -9.673
  323   1HG   GLN  34           HG2      GLN  34  10.129  -8.200  -8.200
  324   2HG   GLN  34           HG1      GLN  34  10.235  -7.271  -7.271
  325   1HE2  GLN  34          HE22      GLN  34  12.792  -9.289  -9.289
  326   2HE2  GLN  34          HE21      GLN  34  11.880  -7.861  -7.861
  327    H    ASN  35            HN      ASN  35   6.036  -6.775  -6.775
  328    HA   ASN  35            HA      ASN  35   4.105  -8.993  -8.993
  329   1HB   ASN  35           HB2      ASN  35   5.262  -7.835  -7.835
  330   2HB   ASN  35           HB1      ASN  35   3.631  -8.509  -8.509
  331   1HD2  ASN  35          HD22      ASN  35   6.260 -11.189 -11.189
  332   2HD2  ASN  35          HD21      ASN  35   6.050  -9.637  -9.637
  333    H    TRP  36            HN      TRP  36   4.539  -5.725  -5.725
  334    HA   TRP  36            HA      TRP  36   1.599  -5.275  -5.275
  335   1HB   TRP  36           HB2      TRP  36   3.617  -3.115  -3.115
  336   2HB   TRP  36           HB1      TRP  36   1.865  -3.043  -3.043
  337    HD1  TRP  36           HD1      TRP  36   4.578  -5.573  -5.573
  338    HE1  TRP  36           HE1      TRP  36   4.248  -5.876  -5.876
  339    HE3  TRP  36           HE3      TRP  36   0.561  -2.410  -2.410
  340    HZ2  TRP  36           HZ2      TRP  36   2.618  -4.925  -4.925
  341    HZ3  TRP  36           HZ3      TRP  36  -0.284  -2.135  -2.135
  342    HH2  TRP  36           HH2      TRP  36   0.721  -3.395  -3.395
  343    H    TYR  37            HN      TYR  37   0.737  -4.141  -4.141
  344    HA   TYR  37            HA      TYR  37   2.627  -3.425  -3.425
  345   1HB   TYR  37           HB2      TYR  37  -0.375  -3.812  -3.812
  346   2HB   TYR  37           HB1      TYR  37   0.799  -3.770  -3.770
  347    HD1  TYR  37           HD2      TYR  37   2.898  -5.621  -5.621
  348    HD2  TYR  37           HD1      TYR  37  -1.369  -5.876  -5.876
  349    HE1  TYR  37           HE2      TYR  37   3.037  -8.099  -8.099
  350    HE2  TYR  37           HE1      TYR  37  -1.246  -8.335  -8.335
  351    HH   TYR  37            HH      TYR  37   0.426 -10.095 -10.095
  352    H    LYS  38            HN      LYS  38   0.831  -1.847  -1.847
  353    HA   LYS  38            HA      LYS  38   0.141   0.491   0.491
  354   1HB   LYS  38           HB2      LYS  38   2.178   0.914   0.914
  355   2HB   LYS  38           HB1      LYS  38   1.198   0.552   0.552
  356   1HG   LYS  38           HG2      LYS  38  -0.414   2.338   2.338
  357   2HG   LYS  38           HG1      LYS  38   0.825   2.802   2.802
  358   1HD   LYS  38           HD2      LYS  38   1.729   2.485   2.485
  359   2HD   LYS  38           HD1      LYS  38   0.671   3.860   3.860
  360   1HE   LYS  38           HE2      LYS  38   2.224   4.340   4.340
  361   2HE   LYS  38           HE1      LYS  38   3.359   3.241   3.241
  362   1HZ   LYS  38           HZ3      LYS  38   2.120   5.481   5.481
  363   2HZ   LYS  38           HZ2      LYS  38   3.524   5.710   5.710
  364   3HZ   LYS  38           HZ1      LYS  38   3.533   4.619   4.619
  365    H    ALA  39            HN      ALA  39  -1.929   1.477   1.477
  366    HA   ALA  39            HA      ALA  39  -3.259   0.349   0.349
  367   1HB   ALA  39           HB2      ALA  39  -3.295  -1.579  -1.579
  368   2HB   ALA  39           HB1      ALA  39  -4.237  -0.608  -0.608
  369   3HB   ALA  39           HB3      ALA  39  -4.927  -1.005  -1.005
  370    H    GLU  40            HN      GLU  40  -5.678   0.531   0.531
  371    HA   GLU  40            HA      GLU  40  -6.179   3.349   3.349
  372   1HB   GLU  40           HB2      GLU  40  -5.997   2.169   2.169
  373   2HB   GLU  40           HB1      GLU  40  -7.692   1.815   1.815
  374   1HG   GLU  40           HG2      GLU  40  -7.015   4.596   4.596
  375   2HG   GLU  40           HG1      GLU  40  -6.725   4.127   4.127
  376    H    LEU  41            HN      LEU  41  -8.316   3.844   3.844
  377    HA   LEU  41            HA      LEU  41 -10.246   1.768   1.768
  378   1HB   LEU  41           HB2      LEU  41  -8.947   3.453   3.453
  379   2HB   LEU  41           HB1      LEU  41 -10.689   3.154   3.154
  380    HG   LEU  41            HG      LEU  41  -8.786   0.938   0.938
  381   1HD1  LEU  41          HD11      LEU  41  -8.962   2.455   2.455
  382   2HD1  LEU  41          HD13      LEU  41  -9.521   0.806   0.806
  383   3HD1  LEU  41          HD12      LEU  41  -7.911   1.095   1.095
  384   1HD2  LEU  41          HD22      LEU  41 -11.359   0.887   0.887
  385   2HD2  LEU  41          HD21      LEU  41 -10.595  -0.440  -0.440
  386   3HD2  LEU  41          HD23      LEU  41 -11.393   0.863   0.863
  387    H    ASN  42            HN      ASN  42 -11.354   2.434   2.434
  388    HA   ASN  42            HA      ASN  42 -12.796   3.770   3.770
  389   1HB   ASN  42           HB2      ASN  42 -13.478   4.006   4.006
  390   2HB   ASN  42           HB1      ASN  42 -14.305   5.093   5.093
  391   1HD2  ASN  42          HD22      ASN  42 -15.624   2.154   2.154
  392   2HD2  ASN  42          HD21      ASN  42 -14.700   3.528   3.528
  393    H    GLY  43            HN      GLY  43 -10.169   5.166   5.166
  394   1HA   GLY  43           HA2      GLY  43 -10.108   7.500   7.500
  395   2HA   GLY  43           HA1      GLY  43 -11.114   7.993   7.993
  396    H    LYS  44            HN      LYS  44  -9.820   6.669   6.669
  397    HA   LYS  44            HA      LYS  44  -7.503   8.309   8.309
  398   1HB   LYS  44           HB2      LYS  44  -9.061   6.368   6.368
  399   2HB   LYS  44           HB1      LYS  44  -7.393   6.717   6.717
  400   1HG   LYS  44           HG2      LYS  44  -7.810   8.942   8.942
  401   2HG   LYS  44           HG1      LYS  44  -9.221   8.990   8.990
  402   1HD   LYS  44           HD2      LYS  44  -9.110   7.445   7.445
  403   2HD   LYS  44           HD1      LYS  44  -9.812   9.055   9.055
  404   1HE   LYS  44           HE2      LYS  44 -11.174   7.927   7.927
  405   2HE   LYS  44           HE1      LYS  44 -10.795   6.440   6.440
  406   1HZ   LYS  44           HZ1      LYS  44 -11.697   7.506   7.506
  407   2HZ   LYS  44           HZ3      LYS  44 -12.187   8.829   8.829
  408   3HZ   LYS  44           HZ2      LYS  44 -12.860   7.294   7.294
  409    H    ASP  45            HN      ASP  45  -5.697   6.853   6.853
  410    HA   ASP  45            HA      ASP  45  -5.209   4.407   4.407
  411   1HB   ASP  45           HB2      ASP  45  -3.942   6.980   6.980
  412   2HB   ASP  45           HB1      ASP  45  -2.967   5.514   5.514
  413    H    GLY  46            HN      GLY  46  -2.728   3.770   3.770
  414   1HA   GLY  46           HA2      GLY  46  -0.905   4.587   4.587
  415   2HA   GLY  46           HA1      GLY  46  -2.190   4.432   4.432
  416    H    PHE  47            HN      PHE  47   0.107   3.059   3.059
  417    HA   PHE  47            HA      PHE  47   0.195   0.453   0.453
  418   1HB   PHE  47           HB2      PHE  47   1.326   1.380   1.380
  419   2HB   PHE  47           HB1      PHE  47   1.828  -0.052  -0.052
  420    HD1  PHE  47           HD2      PHE  47   2.194   0.630   0.630
  421    HD2  PHE  47           HD1      PHE  47   2.836   3.133   3.133
  422    HE1  PHE  47           HE2      PHE  47   3.786   2.009   2.009
  423    HE2  PHE  47           HE1      PHE  47   4.430   4.513   4.513
  424    HZ   PHE  47            HZ      PHE  47   4.905   3.951   3.951
  425    H    ILE  48            HN      ILE  48  -0.273  -1.636  -1.636
  426    HA   ILE  48            HA      ILE  48  -1.994  -1.590  -1.590
  427    HB   ILE  48            HB      ILE  48  -3.682  -3.049  -3.049
  428   1HG1  ILE  48          HG12      ILE  48  -2.192  -2.078  -2.078
  429   2HG1  ILE  48          HG11      ILE  48  -2.169  -3.733  -3.733
  430   1HG2  ILE  48          HG22      ILE  48  -3.828  -0.498  -0.498
  431   2HG2  ILE  48          HG21      ILE  48  -3.406  -0.370  -0.370
  432   3HG2  ILE  48          HG23      ILE  48  -4.882  -1.203  -1.203
  433   1HD1  ILE  48          HD12      ILE  48  -4.877  -3.180  -3.180
  434   2HD1  ILE  48          HD11      ILE  48  -4.229  -2.346  -2.346
  435   3HD1  ILE  48          HD13      ILE  48  -3.952  -4.075  -4.075
  436    HA   PRO  49            HA      PRO  49   0.499  -5.249  -5.249
  437   1HB   PRO  49           HB2      PRO  49  -0.987  -6.423  -6.423
  438   2HB   PRO  49           HB1      PRO  49   0.206  -5.142  -5.142
  439   1HG   PRO  49           HG2      PRO  49  -2.795  -4.955  -4.955
  440   2HG   PRO  49           HG1      PRO  49  -1.643  -3.975  -3.975
  441   1HD   PRO  49           HD2      PRO  49  -2.853  -3.100  -3.100
  442   2HD   PRO  49           HD1      PRO  49  -1.353  -2.461  -2.461
  443    H    LYS  50            HN      LYS  50   0.271  -6.565  -6.565
  444    HA   LYS  50            HA      LYS  50  -1.910  -7.673  -7.673
  445   1HB   LYS  50           HB2      LYS  50   0.337  -7.772  -7.772
  446   2HB   LYS  50           HB1      LYS  50   0.855  -8.775  -8.775
  447   1HG   LYS  50           HG2      LYS  50  -1.143 -10.325 -10.325
  448   2HG   LYS  50           HG1      LYS  50  -0.576  -9.531  -9.531
  449   1HD   LYS  50           HD2      LYS  50   1.717 -10.205 -10.205
  450   2HD   LYS  50           HD1      LYS  50   1.229 -10.894 -10.894
  451   1HE   LYS  50           HE2      LYS  50  -0.443 -12.282 -12.282
  452   2HE   LYS  50           HE1      LYS  50   0.785 -11.944 -11.944
  453   1HZ   LYS  50           HZ1      LYS  50   2.443 -12.782 -12.782
  454   2HZ   LYS  50           HZ3      LYS  50   1.137 -13.337 -13.337
  455   3HZ   LYS  50           HZ2      LYS  50   1.392 -13.959 -13.959
  456    H    ASN  51            HN      ASN  51  -0.731  -8.701  -8.701
  457    HA   ASN  51            HA      ASN  51  -1.623 -11.304 -11.304
  458   1HB   ASN  51           HB2      ASN  51  -1.085  -9.244  -9.244
  459   2HB   ASN  51           HB1      ASN  51  -1.985 -10.614 -10.614
  460   1HD2  ASN  51          HD22      ASN  51   0.788 -12.886 -12.886
  461   2HD2  ASN  51          HD21      ASN  51  -0.883 -12.792 -12.792
  462    H    TYR  52            HN      TYR  52  -3.371  -8.354  -8.354
  463    HA   TYR  52            HA      TYR  52  -5.903  -9.815  -9.815
  464   1HB   TYR  52           HB2      TYR  52  -5.168  -6.884  -6.884
  465   2HB   TYR  52           HB1      TYR  52  -6.811  -7.445  -7.445
  466    HD1  TYR  52           HD1      TYR  52  -4.429  -9.712  -9.712
  467    HD2  TYR  52           HD2      TYR  52  -6.719  -6.140  -6.140
  468    HE1  TYR  52           HE1      TYR  52  -4.170  -9.892  -9.892
  469    HE2  TYR  52           HE2      TYR  52  -6.464  -6.322  -6.322
  470    HH   TYR  52            HH      TYR  52  -4.571  -7.514  -7.514
  471    H    ILE  53            HN      ILE  53  -4.500  -9.941  -9.941
  472    HA   ILE  53            HA      ILE  53  -6.517  -8.869  -8.869
  473    HB   ILE  53            HB      ILE  53  -3.861  -8.160  -8.160
  474   1HG1  ILE  53          HG12      ILE  53  -5.253  -6.434  -6.434
  475   2HG1  ILE  53          HG11      ILE  53  -3.817  -7.400  -7.400
  476   1HG2  ILE  53          HG21      ILE  53  -6.650  -7.207  -7.207
  477   2HG2  ILE  53          HG23      ILE  53  -5.377  -6.025  -6.025
  478   3HG2  ILE  53          HG22      ILE  53  -5.449  -7.461  -7.461
  479   1HD1  ILE  53          HD13      ILE  53  -3.440  -5.838  -5.838
  480   2HD1  ILE  53          HD12      ILE  53  -3.914  -4.802  -4.802
  481   3HD1  ILE  53          HD11      ILE  53  -2.500  -5.831  -5.831
  482    H    GLU  54            HN      GLU  54  -5.993  -9.339  -9.339
  483    HA   GLU  54            HA      GLU  54  -4.244 -11.508 -11.508
  484   1HB   GLU  54           HB2      GLU  54  -7.009 -11.970 -11.970
  485   2HB   GLU  54           HB1      GLU  54  -6.670 -12.311 -12.311
  486   1HG   GLU  54           HG2      GLU  54  -4.755 -13.359 -13.359
  487   2HG   GLU  54           HG1      GLU  54  -6.316 -14.169 -14.169
  488    H    MET  55            HN      MET  55  -4.215 -11.890 -11.890
  489    HA   MET  55            HA      MET  55  -4.589  -9.258  -9.258
  490   1HB   MET  55           HB2      MET  55  -2.429 -10.847 -10.847
  491   2HB   MET  55           HB1      MET  55  -3.203 -11.472 -11.472
  492   1HG   MET  55           HG2      MET  55  -3.201  -9.315  -9.315
  493   2HG   MET  55           HG1      MET  55  -2.763  -8.514  -8.514
  494   1HE   MET  55           HE2      MET  55  -1.196  -7.310  -7.310
  495   2HE   MET  55           HE1      MET  55   0.504  -7.765  -7.765
  496   3HE   MET  55           HE3      MET  55  -0.282  -7.495  -7.495
  497    H    LYS  56            HN      LYS  56  -6.466  -9.002  -9.002
  498    HA   LYS  56            HA      LYS  56  -7.644 -11.255 -11.255
  499   1HB   LYS  56           HB2      LYS  56  -8.635  -8.711  -8.711
  500   2HB   LYS  56           HB1      LYS  56  -9.421  -9.358  -9.358
  501   1HG   LYS  56           HG2      LYS  56  -9.861 -11.463 -11.463
  502   2HG   LYS  56           HG1      LYS  56  -8.889 -10.966 -10.966
  503   1HD   LYS  56           HD2      LYS  56 -11.331 -10.727 -10.727
  504   2HD   LYS  56           HD1      LYS  56 -10.491  -9.179  -9.179
  505   1HE   LYS  56           HE2      LYS  56 -12.598  -8.996  -8.996
  506   2HE   LYS  56           HE1      LYS  56 -11.187  -8.670  -8.670
  507   1HZ   LYS  56           HZ1      LYS  56 -12.285 -11.397 -11.397
  508   2HZ   LYS  56           HZ3      LYS  56 -13.006 -10.265 -10.265
  509   3HZ   LYS  56           HZ2      LYS  56 -11.375 -10.689 -10.689
  510    HA   PRO  57            HA      PRO  57  -6.478  -9.784  -9.784
  511   1HB   PRO  57           HB2      PRO  57  -8.558 -10.508 -10.508
  512   2HB   PRO  57           HB1      PRO  57  -7.321 -11.620 -11.620
  513   1HG   PRO  57           HG2      PRO  57 -10.111 -11.246 -11.246
  514   2HG   PRO  57           HG1      PRO  57  -9.090 -12.671 -12.671
  515   1HD   PRO  57           HD2      PRO  57  -9.659 -10.944 -10.944
  516   2HD   PRO  57           HD1      PRO  57  -8.350 -12.145 -12.145
  517    H    HIS  58            HN      HIS  58  -9.904  -9.237  -9.237
  518    HA   HIS  58            HA      HIS  58  -9.294  -6.314  -6.314
  519   1HB   HIS  58           HB2      HIS  58 -11.233  -7.952  -7.952
  520   2HB   HIS  58           HB1      HIS  58 -10.916  -6.228  -6.228
  521    HD1  HIS  58           HD1      HIS  58 -10.219  -8.816  -8.816
  522    HD2  HIS  58           HD2      HIS  58  -7.592  -6.379  -6.379
  523    HE1  HIS  58           HE1      HIS  58  -7.970  -9.003  -9.003
  524    HA   PRO  59            HA      PRO  59 -12.717  -5.599  -5.599
  525   1HB   PRO  59           HB2      PRO  59 -13.458  -3.076  -3.076
  526   2HB   PRO  59           HB1      PRO  59 -12.010  -3.414  -3.414
  527   1HG   PRO  59           HG2      PRO  59 -12.213  -2.678  -2.678
  528   2HG   PRO  59           HG1      PRO  59 -10.863  -2.444  -2.444
  529   1HD   PRO  59           HD2      PRO  59 -11.072  -4.483  -4.483
  530   2HD   PRO  59           HD1      PRO  59  -9.872  -4.402  -4.402
  531    H    GLU  60            HN      GLU  60 -13.199  -5.892  -5.892
  532    HA   GLU  60            HA      GLU  60 -15.104  -6.402  -6.402
  533   1HB   GLU  60           HB2      GLU  60 -15.609  -7.509  -7.509
  534   2HB   GLU  60           HB1      GLU  60 -17.015  -6.476  -6.476
  535   1HG   GLU  60           HG2      GLU  60 -17.813  -8.272  -8.272
  536   2HG   GLU  60           HG1      GLU  60 -16.810  -7.625  -7.625
  537    H    PHE  61            HN      PHE  61 -16.807  -5.216  -5.216
  538    HA   PHE  61            HA      PHE  61 -16.857  -2.400  -2.400
  539   1HB   PHE  61           HB2      PHE  61 -17.976  -4.227  -4.227
  540   2HB   PHE  61           HB1      PHE  61 -19.284  -3.204  -3.204
  541    HD1  PHE  61           HD2      PHE  61 -18.162  -0.626  -0.626
  542    HD2  PHE  61           HD1      PHE  61 -17.151  -3.423  -3.423
  543    HE1  PHE  61           HE2      PHE  61 -17.341   1.238   1.238
  544    HE2  PHE  61           HE1      PHE  61 -16.330  -1.558  -1.558
  545    HZ   PHE  61            HZ      PHE  61 -16.425   0.772   0.772
  546    H    ILE  62            HN      ILE  62 -19.607  -1.724  -1.724
  547    HA   ILE  62            HA      ILE  62 -20.295  -2.367  -2.367
  548    HB   ILE  62            HB      ILE  62 -20.098   0.028   0.028
  549   1HG1  ILE  62          HG12      ILE  62 -23.041  -0.354  -0.354
  550   2HG1  ILE  62          HG11      ILE  62 -21.963  -1.053  -1.053
  551   1HG2  ILE  62          HG22      ILE  62 -22.225  -0.723  -0.723
  552   2HG2  ILE  62          HG21      ILE  62 -22.001   0.940   0.940
  553   3HG2  ILE  62          HG23      ILE  62 -20.690   0.097   0.097
  554   1HD1  ILE  62          HD11      ILE  62 -20.820   1.237   1.237
  555   2HD1  ILE  62          HD13      ILE  62 -22.199   1.846   1.846
  556   3HD1  ILE  62          HD12      ILE  62 -22.442   1.150   1.150
  557    H    VAL  63            HN      VAL  63 -20.773  -4.398  -4.398
  558    HA   VAL  63            HA      VAL  63 -22.444  -5.742  -5.742
  559    HB   VAL  63            HB      VAL  63 -24.190  -6.355  -6.355
  560   1HG1  VAL  63          HG13      VAL  63 -21.593  -6.662  -6.662
  561   2HG1  VAL  63          HG12      VAL  63 -21.932  -5.607  -5.607
  562   3HG1  VAL  63          HG11      VAL  63 -22.781  -7.146  -7.146
  563   1HG2  VAL  63          HG22      VAL  63 -24.815  -3.970  -3.970
  564   2HG2  VAL  63          HG21      VAL  63 -24.691  -5.049  -5.049
  565   3HG2  VAL  63          HG23      VAL  63 -23.386  -3.917  -3.917
  566    H    THR  64            HN      THR  64 -25.299  -5.552  -5.552
  567    HA   THR  64            HA      THR  64 -25.784  -3.081  -3.081
  568    HB   THR  64            HB      THR  64 -27.286  -5.702  -5.702
  569    HG1  THR  64           HG1      THR  64 -25.290  -6.169  -6.169
  570   1HG2  THR  64          HG22      THR  64 -27.346  -3.055  -3.055
  571   2HG2  THR  64          HG21      THR  64 -27.604  -4.489  -4.489
  572   3HG2  THR  64          HG23      THR  64 -28.670  -4.160  -4.160
  573    H    ASP  65            HN      ASP  65 -27.311  -5.438  -5.438
  574    HA   ASP  65            HA      ASP  65 -29.041  -3.210  -3.210
  575   1HB   ASP  65           HB2      ASP  65 -30.132  -5.108  -5.108
  576   2HB   ASP  65           HB1      ASP  65 -30.032  -6.042  -6.042
  577   1H    SER   1           HT3      SER   1  -9.848 -16.663 -16.663
  578   2H    SER   1           HT2      SER   1  -9.361 -18.270 -18.270
  579   3H    SER   1           HT1      SER   1  -8.363 -17.204 -17.204
  580    HA   SER   1            HA      SER   1  -7.348 -17.240 -17.240
  581   1HB   SER   1           HB2      SER   1  -9.674 -18.338 -18.338
  582   2HB   SER   1           HB1      SER   1  -9.806 -16.738 -16.738
  583    HG   SER   1            HG      SER   1  -8.320 -17.299 -17.299
  584    HA   PRO   2            HA      PRO   2  -7.480 -12.810 -12.810
  585   1HB   PRO   2           HB2      PRO   2  -5.732 -12.307 -12.307
  586   2HB   PRO   2           HB1      PRO   2  -5.216 -12.822 -12.822
  587   1HG   PRO   2           HG2      PRO   2  -5.298 -14.402 -14.402
  588   2HG   PRO   2           HG1      PRO   2  -4.284 -14.636 -14.636
  589   1HD   PRO   2           HD2      PRO   2  -6.610 -16.127 -16.127
  590   2HD   PRO   2           HD1      PRO   2  -5.755 -16.149 -16.149
  591    H    LEU   3            HN      LEU   3  -7.544 -10.979 -10.979
  592    HA   LEU   3            HA      LEU   3  -9.279 -11.861 -11.861
  593   1HB   LEU   3           HB2      LEU   3 -10.556 -11.063 -11.063
  594   2HB   LEU   3           HB1      LEU   3 -10.227  -9.476  -9.476
  595    HG   LEU   3            HG      LEU   3 -12.417 -10.291 -10.291
  596   1HD1  LEU   3          HD13      LEU   3 -10.923  -8.959  -8.959
  597   2HD1  LEU   3          HD12      LEU   3 -10.426 -10.484 -10.484
  598   3HD1  LEU   3          HD11      LEU   3 -12.112  -9.967  -9.967
  599   1HD2  LEU   3          HD21      LEU   3 -11.388 -12.776 -12.776
  600   2HD2  LEU   3          HD23      LEU   3 -12.788 -12.388 -12.388
  601   3HD2  LEU   3          HD22      LEU   3 -11.183 -12.483 -12.483
  602    H    LEU   4            HN      LEU   4  -7.345 -11.227 -11.227
  603    HA   LEU   4            HA      LEU   4  -6.095  -9.714  -9.714
  604   1HB   LEU   4           HB2      LEU   4  -8.727  -8.410  -8.410
  605   2HB   LEU   4           HB1      LEU   4  -7.419  -7.341  -7.341
  606    HG   LEU   4            HG      LEU   4  -7.003  -9.414  -9.414
  607   1HD1  LEU   4          HD13      LEU   4  -9.970  -9.337  -9.337
  608   2HD1  LEU   4          HD12      LEU   4  -9.303 -10.041 -10.041
  609   3HD1  LEU   4          HD11      LEU   4  -8.893 -10.730 -10.730
  610   1HD2  LEU   4          HD23      LEU   4  -7.315  -6.969  -6.969
  611   2HD2  LEU   4          HD22      LEU   4  -8.068  -8.041  -8.041
  612   3HD2  LEU   4          HD21      LEU   4  -9.058  -7.233  -7.233
  613    HA   PRO   5            HA      PRO   5  -4.520  -7.649  -7.649
  614   1HB   PRO   5           HB2      PRO   5  -2.014  -8.780  -8.780
  615   2HB   PRO   5           HB1      PRO   5  -3.404  -9.508  -9.508
  616   1HG   PRO   5           HG2      PRO   5  -2.117 -10.312 -10.312
  617   2HG   PRO   5           HG1      PRO   5  -3.039 -11.297 -11.297
  618   1HD   PRO   5           HD2      PRO   5  -4.019 -10.253 -10.253
  619   2HD   PRO   5           HD1      PRO   5  -5.000 -10.956 -10.956
  620    H    LYS   6            HN      LYS   6  -1.801  -8.385  -8.385
  621    HA   LYS   6            HA      LYS   6  -1.823  -5.622  -5.622
  622   1HB   LYS   6           HB2      LYS   6   0.102  -6.680  -6.680
  623   2HB   LYS   6           HB1      LYS   6   0.791  -5.750  -5.750
  624   1HG   LYS   6           HG2      LYS   6  -1.568  -4.758  -4.758
  625   2HG   LYS   6           HG1      LYS   6   0.100  -4.405  -4.405
  626   1HD   LYS   6           HD2      LYS   6   0.493  -3.136  -3.136
  627   2HD   LYS   6           HD1      LYS   6  -0.862  -3.864  -3.864
  628   1HE   LYS   6           HE2      LYS   6  -2.265  -2.775  -2.775
  629   2HE   LYS   6           HE1      LYS   6  -0.875  -1.694  -1.694
  630   1HZ   LYS   6           HZ3      LYS   6  -2.105  -2.282  -2.282
  631   2HZ   LYS   6           HZ2      LYS   6  -2.832  -1.142  -1.142
  632   3HZ   LYS   6           HZ1      LYS   6  -1.236  -0.911  -0.911
  633    H    LEU   7            HN      LEU   7   0.523  -5.511  -5.511
  634    HA   LEU   7            HA      LEU   7   1.146  -8.053  -8.053
  635   1HB   LEU   7           HB2      LEU   7  -0.943  -6.550  -6.550
  636   2HB   LEU   7           HB1      LEU   7   0.436  -6.012  -6.012
  637    HG   LEU   7            HG      LEU   7  -0.205  -8.934  -8.934
  638   1HD1  LEU   7          HD12      LEU   7  -1.896  -7.339  -7.339
  639   2HD1  LEU   7          HD11      LEU   7  -0.717  -7.608  -7.608
  640   3HD1  LEU   7          HD13      LEU   7  -1.540  -8.980  -8.980
  641   1HD2  LEU   7          HD23      LEU   7   2.130  -8.322  -8.322
  642   2HD2  LEU   7          HD22      LEU   7   1.321  -9.259  -9.259
  643   3HD2  LEU   7          HD21      LEU   7   1.503  -7.513  -7.513
  644    HA   PRO   8            HA      PRO   8   4.597  -4.984  -4.984
  645   1HB   PRO   8           HB2      PRO   8   6.429  -6.662  -6.662
  646   2HB   PRO   8           HB1      PRO   8   5.298  -5.655  -5.655
  647   1HG   PRO   8           HG2      PRO   8   5.234  -8.600  -8.600
  648   2HG   PRO   8           HG1      PRO   8   4.532  -7.659  -7.659
  649   1HD   PRO   8           HD2      PRO   8   3.126  -8.714  -8.714
  650   2HD   PRO   8           HD1      PRO   8   2.497  -7.553  -7.553
  651    HA   PRO   9            HA      PRO   9   6.638  -6.710  -6.710
  652   1HB   PRO   9           HB2      PRO   9   9.005  -5.314  -5.314
  653   2HB   PRO   9           HB1      PRO   9   7.455  -4.609  -4.609
  654   1HG   PRO   9           HG2      PRO   9   8.990  -4.185  -4.185
  655   2HG   PRO   9           HG1      PRO   9   7.817  -3.117  -3.117
  656   1HD   PRO   9           HD2      PRO   9   7.318  -4.775  -4.775
  657   2HD   PRO   9           HD1      PRO   9   6.098  -3.923  -3.923
  658    H    LYS  10            HN      LYS  10   7.676  -7.468  -7.468
  659    HA   LYS  10            HA      LYS  10  10.075  -8.968  -8.968
  660   1HB   LYS  10           HB2      LYS  10  10.209  -7.463  -7.463
  661   2HB   LYS  10           HB1      LYS  10   9.127  -8.600  -8.600
  662   1HG   LYS  10           HG2      LYS  10  10.969 -10.332 -10.332
  663   2HG   LYS  10           HG1      LYS  10  11.986  -8.911  -8.911
  664   1HD   LYS  10           HD2      LYS  10  11.772  -8.978  -8.978
  665   2HD   LYS  10           HD1      LYS  10  10.114  -9.577  -9.577
  666   1HE   LYS  10           HE2      LYS  10  10.959 -11.806 -11.806
  667   2HE   LYS  10           HE1      LYS  10  12.612 -11.204 -11.204
  668   1HZ   LYS  10           HZ1      LYS  10  12.031 -10.594 -10.594
  669   2HZ   LYS  10           HZ3      LYS  10  10.629 -11.527 -11.527
  670   3HZ   LYS  10           HZ2      LYS  10  12.156 -12.256 -12.256
  671    H    THR  11            HN      THR  11   7.475  -9.602  -9.602
  672    HA   THR  11            HA      THR  11   7.074 -12.272 -12.272
  673    HB   THR  11            HB      THR  11   8.512 -12.717 -12.717
  674    HG1  THR  11           HG1      THR  11   7.109 -14.002 -14.002
  675   1HG2  THR  11          HG23      THR  11   7.087 -10.490 -10.490
  676   2HG2  THR  11          HG22      THR  11   6.974 -11.879 -11.879
  677   3HG2  THR  11          HG21      THR  11   8.554 -11.279 -11.279
  678    H    TYR  12            HN      TYR  12   4.978 -12.201 -12.201
  679    HA   TYR  12            HA      TYR  12   2.996 -10.803 -10.803
  680   1HB   TYR  12           HB2      TYR  12   1.509 -10.991 -10.991
  681   2HB   TYR  12           HB1      TYR  12   2.883  -9.895  -9.895
  682    HD1  TYR  12           HD1      TYR  12   1.492 -13.134 -13.134
  683    HD2  TYR  12           HD2      TYR  12   4.826 -10.440 -10.440
  684    HE1  TYR  12           HE1      TYR  12   2.334 -14.393 -14.393
  685    HE2  TYR  12           HE2      TYR  12   5.667 -11.701 -11.701
  686    HH   TYR  12            HH      TYR  12   4.014 -13.557 -13.557
  687    H    LYS  13            HN      LYS  13   1.782 -12.087 -12.087
  688    HA   LYS  13            HA      LYS  13   1.674 -14.978 -14.978
  689   1HB   LYS  13           HB2      LYS  13   1.609 -13.499 -13.499
  690   2HB   LYS  13           HB1      LYS  13  -0.127 -13.653 -13.653
  691   1HG   LYS  13           HG2      LYS  13  -0.076 -15.997 -15.997
  692   2HG   LYS  13           HG1      LYS  13   1.658 -16.074 -16.074
  693   1HD   LYS  13           HD2      LYS  13   0.827 -14.529 -14.529
  694   2HD   LYS  13           HD1      LYS  13   0.629 -16.280 -16.280
  695   1HE   LYS  13           HE2      LYS  13   2.896 -16.685 -16.685
  696   2HE   LYS  13           HE1      LYS  13   3.207 -15.242 -15.242
  697   1HZ   LYS  13           HZ2      LYS  13   2.301 -15.007 -15.007
  698   2HZ   LYS  13           HZ1      LYS  13   3.942 -15.274 -15.274
  699   3HZ   LYS  13           HZ3      LYS  13   3.164 -13.888 -13.888
  700    H    ARG  14            HN      ARG  14   0.440 -15.483 -15.483
  701    HA   ARG  14            HA      ARG  14  -1.921 -14.102 -14.102
  702   1HB   ARG  14           HB2      ARG  14  -2.367 -16.100 -16.100
  703   2HB   ARG  14           HB1      ARG  14  -0.684 -15.586 -15.586
  704   1HG   ARG  14           HG2      ARG  14  -0.106 -17.295 -17.295
  705   2HG   ARG  14           HG1      ARG  14  -1.769 -17.872 -17.872
  706   1HD   ARG  14           HD2      ARG  14  -0.478 -17.625 -17.625
  707   2HD   ARG  14           HD1      ARG  14   0.301 -18.797 -18.797
  708    HE   ARG  14            HE      ARG  14  -2.507 -18.946 -18.946
  709   1HH1  ARG  14          HH11      ARG  14  -1.177 -19.908 -19.908
  710   2HH1  ARG  14          HH12      ARG  14  -1.259 -21.614 -21.614
  711   1HH2  ARG  14          HH21      ARG  14  -2.041 -21.283 -21.283
  712   2HH2  ARG  14          HH22      ARG  14  -1.745 -22.393 -22.393
  713    H    GLU  15            HN      GLU  15  -4.112 -14.503 -14.503
  714    HA   GLU  15            HA      GLU  15  -4.664 -16.023 -16.023
  715   1HB   GLU  15           HB2      GLU  15  -5.548 -13.594 -13.594
  716   2HB   GLU  15           HB1      GLU  15  -6.849 -14.599 -14.599
  717   1HG   GLU  15           HG2      GLU  15  -6.647 -15.720 -15.720
  718   2HG   GLU  15           HG1      GLU  15  -6.051 -14.110 -14.110

  Start of MODEL    9
    1   1H    GLY  -8           HT2      GLY  -8   9.113  -0.277  -0.277
    2   2H    GLY  -8           HT1      GLY  -8  10.400  -1.372  -1.372
    3   3H    GLY  -8           HT3      GLY  -8  10.628   0.086   0.086
    4   1HA   GLY  -8           HA1      GLY  -8   8.909  -0.901  -0.901
    5   2HA   GLY  -8           HA2      GLY  -8  10.538  -1.475  -1.475
    6    H    SER  -7            HN      SER  -7   8.087  -2.083  -2.083
    7    HA   SER  -7            HA      SER  -7   7.304  -4.669  -4.669
    8   1HB   SER  -7           HB2      SER  -7   7.146  -3.504  -3.504
    9   2HB   SER  -7           HB1      SER  -7   5.507  -3.165  -3.165
   10    HG   SER  -7            HG      SER  -7   6.808  -5.647  -5.647
   11    H    ARG  -6            HN      ARG  -6   6.379  -4.631  -4.631
   12    HA   ARG  -6            HA      ARG  -6   4.701  -4.338  -4.338
   13   1HB   ARG  -6           HB2      ARG  -6   3.388  -4.846  -4.846
   14   2HB   ARG  -6           HB1      ARG  -6   2.729  -3.260  -3.260
   15   1HG   ARG  -6           HG2      ARG  -6   1.290  -4.834  -4.834
   16   2HG   ARG  -6           HG1      ARG  -6   2.311  -4.180  -4.180
   17   1HD   ARG  -6           HD2      ARG  -6   3.755  -6.121  -6.121
   18   2HD   ARG  -6           HD1      ARG  -6   2.919  -6.746  -6.746
   19    HE   ARG  -6            HE      ARG  -6   1.501  -6.436  -6.436
   20   1HH1  ARG  -6          HH11      ARG  -6  -0.217  -7.390  -7.390
   21   2HH1  ARG  -6          HH12      ARG  -6  -0.041  -9.112  -9.112
   22   1HH2  ARG  -6          HH21      ARG  -6   2.890  -9.022  -9.022
   23   2HH2  ARG  -6          HH22      ARG  -6   1.717 -10.036 -10.036
   24    H    ARG  -5            HN      ARG  -5   3.385  -2.613  -2.613
   25    HA   ARG  -5            HA      ARG  -5   4.325   0.119   0.119
   26   1HB   ARG  -5           HB2      ARG  -5   4.056  -1.172  -1.172
   27   2HB   ARG  -5           HB1      ARG  -5   4.077   0.581   0.581
   28   1HG   ARG  -5           HG2      ARG  -5   6.339   0.287   0.287
   29   2HG   ARG  -5           HG1      ARG  -5   6.217  -0.063  -0.063
   30   1HD   ARG  -5           HD2      ARG  -5   7.461  -1.872  -1.872
   31   2HD   ARG  -5           HD1      ARG  -5   5.838  -2.501  -2.501
   32    HE   ARG  -5            HE      ARG  -5   5.411  -2.306  -2.306
   33   1HH1  ARG  -5          HH21      ARG  -5   8.127  -0.471  -0.471
   34   2HH1  ARG  -5          HH22      ARG  -5   9.067  -1.268  -1.268
   35   1HH2  ARG  -5          HH11      ARG  -5   6.836  -3.894  -3.894
   36   2HH2  ARG  -5          HH12      ARG  -5   8.337  -3.206  -3.206
   37    H    ALA  -4            HN      ALA  -4   1.879  -1.059  -1.059
   38    HA   ALA  -4            HA      ALA  -4  -0.176   0.383   0.383
   39   1HB   ALA  -4           HB1      ALA  -4  -0.264  -2.018  -2.018
   40   2HB   ALA  -4           HB3      ALA  -4  -1.715  -1.029  -1.029
   41   3HB   ALA  -4           HB2      ALA  -4  -0.997  -1.781  -1.781
   42    H    SER  -3            HN      SER  -3  -0.178  -0.509  -0.509
   43    HA   SER  -3            HA      SER  -3   0.090   2.276   2.276
   44   1HB   SER  -3           HB2      SER  -3  -2.495   1.028   1.028
   45   2HB   SER  -3           HB1      SER  -3  -2.089   2.731   2.731
   46    HG   SER  -3            HG      SER  -3  -2.864   0.816   0.816
   47    H    VAL  -2            HN      VAL  -2  -0.475   2.310   2.310
   48    HA   VAL  -2            HA      VAL  -2   1.243   0.410   0.410
   49    HB   VAL  -2            HB      VAL  -2   0.782   2.646   2.646
   50   1HG1  VAL  -2          HG12      VAL  -2  -1.709   2.512   2.512
   51   2HG1  VAL  -2          HG11      VAL  -2  -1.933   1.621   1.621
   52   3HG1  VAL  -2          HG13      VAL  -2  -1.326   3.276   3.276
   53   1HG2  VAL  -2          HG23      VAL  -2   1.471   0.694   0.694
   54   2HG2  VAL  -2          HG22      VAL  -2   0.612   1.976   1.976
   55   3HG2  VAL  -2          HG21      VAL  -2  -0.230   0.489   0.489
   56    H    GLY  -1            HN      GLY  -1  -2.320   0.613   0.613
   57   1HA   GLY  -1           HA2      GLY  -1  -3.977  -0.991  -0.991
   58   2HA   GLY  -1           HA1      GLY  -1  -2.787  -2.162  -2.162
   59    H    SER   0            HN      SER   0  -3.808  -0.351  -0.351
   60    HA   SER   0            HA      SER   0  -2.226  -2.023  -2.023
   61   1HB   SER   0           HB2      SER   0  -3.847  -0.896  -0.896
   62   2HB   SER   0           HB1      SER   0  -2.632   0.093   0.093
   63    HG   SER   0            HG      SER   0  -5.406  -0.072  -0.072
   64    H    MET   1            HN      MET   1  -3.316  -3.306  -3.306
   65    HA   MET   1            HA      MET   1  -5.777  -4.648  -4.648
   66   1HB   MET   1           HB2      MET   1  -3.229  -5.764  -5.764
   67   2HB   MET   1           HB1      MET   1  -4.729  -6.603  -6.603
   68   1HG   MET   1           HG2      MET   1  -5.153  -7.201  -7.201
   69   2HG   MET   1           HG1      MET   1  -4.359  -5.777  -5.777
   70   1HE   MET   1           HE2      MET   1  -2.912  -5.995  -5.995
   71   2HE   MET   1           HE1      MET   1  -1.392  -5.829  -5.829
   72   3HE   MET   1           HE3      MET   1  -1.634  -7.183  -7.183
   73    H    GLU   2            HN      GLU   2  -6.486  -6.142  -6.142
   74    HA   GLU   2            HA      GLU   2  -6.778  -4.070  -4.070
   75   1HB   GLU   2           HB2      GLU   2  -8.756  -5.306  -5.306
   76   2HB   GLU   2           HB1      GLU   2  -8.835  -6.124  -6.124
   77   1HG   GLU   2           HG2      GLU   2  -9.282  -4.119  -4.119
   78   2HG   GLU   2           HG1      GLU   2  -8.719  -3.118  -3.118
   79    H    ALA   3            HN      ALA   3  -7.531  -5.328  -5.328
   80    HA   ALA   3            HA      ALA   3  -6.371  -7.959  -7.959
   81   1HB   ALA   3           HB3      ALA   3  -4.836  -5.664  -5.664
   82   2HB   ALA   3           HB2      ALA   3  -5.185  -6.477  -6.477
   83   3HB   ALA   3           HB1      ALA   3  -4.408  -7.362  -7.362
   84    H    ILE   4            HN      ILE   4  -7.893  -8.942  -8.942
   85    HA   ILE   4            HA      ILE   4 -10.011  -7.793  -7.793
   86    HB   ILE   4            HB      ILE   4 -10.170  -9.972  -9.972
   87   1HG1  ILE   4          HG12      ILE   4 -10.367 -10.863 -10.863
   88   2HG1  ILE   4          HG11      ILE   4 -11.106  -9.285  -9.285
   89   1HG2  ILE   4          HG21      ILE   4  -7.660 -10.416 -10.416
   90   2HG2  ILE   4          HG23      ILE   4  -8.541 -11.276 -11.276
   91   3HG2  ILE   4          HG22      ILE   4  -8.770 -11.715 -11.715
   92   1HD1  ILE   4          HD13      ILE   4 -11.612 -11.553 -11.553
   93   2HD1  ILE   4          HD12      ILE   4 -12.529 -11.398 -11.398
   94   3HD1  ILE   4          HD11      ILE   4 -12.581 -10.111 -10.111
   95    H    ALA   5            HN      ALA   5 -10.068  -6.895  -6.895
   96    HA   ALA   5            HA      ALA   5  -7.910  -7.201  -7.201
   97   1HB   ALA   5           HB2      ALA   5 -10.629  -5.855  -5.855
   98   2HB   ALA   5           HB1      ALA   5  -9.508  -5.898  -5.898
   99   3HB   ALA   5           HB3      ALA   5  -9.052  -5.074  -5.074
  100    H    LYS   6            HN      LYS   6  -7.860  -9.340  -9.340
  101    HA   LYS   6            HA      LYS   6 -10.037 -11.075 -11.075
  102   1HB   LYS   6           HB2      LYS   6  -7.391 -11.043 -11.043
  103   2HB   LYS   6           HB1      LYS   6  -8.494 -12.412 -12.412
  104   1HG   LYS   6           HG2      LYS   6  -8.039 -12.740 -12.740
  105   2HG   LYS   6           HG1      LYS   6  -7.449 -11.096 -11.096
  106   1HD   LYS   6           HD2      LYS   6  -5.499 -12.446 -12.446
  107   2HD   LYS   6           HD1      LYS   6  -5.543 -11.729 -11.729
  108   1HE   LYS   6           HE2      LYS   6  -6.932 -14.349 -14.349
  109   2HE   LYS   6           HE1      LYS   6  -5.172 -14.347 -14.347
  110   1HZ   LYS   6           HZ1      LYS   6  -5.640 -12.857 -12.857
  111   2HZ   LYS   6           HZ3      LYS   6  -7.144 -13.638 -13.638
  112   3HZ   LYS   6           HZ2      LYS   6  -5.719 -14.550 -14.550
  113    H    TYR   7            HN      TYR   7  -8.709  -8.543  -8.543
  114    HA   TYR   7            HA      TYR   7 -10.927  -9.042  -9.042
  115   1HB   TYR   7           HB2      TYR   7  -8.099  -8.537  -8.537
  116   2HB   TYR   7           HB1      TYR   7  -9.501  -8.960  -8.960
  117    HD1  TYR   7           HD2      TYR   7 -10.717 -11.233 -11.233
  118    HD2  TYR   7           HD1      TYR   7  -6.598 -10.220 -10.220
  119    HE1  TYR   7           HE2      TYR   7 -10.169 -13.638 -13.638
  120    HE2  TYR   7           HE1      TYR   7  -6.048 -12.615 -12.615
  121    HH   TYR   7            HH      TYR   7  -7.156 -14.867 -14.867
  122    H    ASP   8            HN      ASP   8 -10.509  -7.215  -7.215
  123    HA   ASP   8            HA      ASP   8 -10.740  -4.706  -4.706
  124   1HB   ASP   8           HB2      ASP   8 -11.937  -3.892  -3.892
  125   2HB   ASP   8           HB1      ASP   8 -12.510  -5.530  -5.530
  126    H    PHE   9            HN      PHE   9  -9.815  -2.724  -2.724
  127    HA   PHE   9            HA      PHE   9  -7.762  -2.690  -2.690
  128   1HB   PHE   9           HB2      PHE   9  -6.870  -4.027  -4.027
  129   2HB   PHE   9           HB1      PHE   9  -6.215  -2.401  -2.401
  130    HD1  PHE   9           HD2      PHE   9  -6.872  -4.554  -4.554
  131    HD2  PHE   9           HD1      PHE   9  -3.974  -2.406  -2.406
  132    HE1  PHE   9           HE2      PHE   9  -5.121  -5.091  -5.091
  133    HE2  PHE   9           HE1      PHE   9  -2.225  -2.938  -2.938
  134    HZ   PHE   9            HZ      PHE   9  -2.798  -4.282  -4.282
  135    H    LYS  10            HN      LYS  10  -6.249  -0.664  -0.664
  136    HA   LYS  10            HA      LYS  10  -7.619   1.371   1.371
  137   1HB   LYS  10           HB2      LYS  10  -7.934   2.931   2.931
  138   2HB   LYS  10           HB1      LYS  10  -8.620   1.405   1.405
  139   1HG   LYS  10           HG2      LYS  10  -5.818   2.348   2.348
  140   2HG   LYS  10           HG1      LYS  10  -7.218   2.538   2.538
  141   1HD   LYS  10           HD2      LYS  10  -7.423  -0.103  -0.103
  142   2HD   LYS  10           HD1      LYS  10  -5.674   0.092   0.092
  143   1HE   LYS  10           HE2      LYS  10  -5.453   0.695   0.695
  144   2HE   LYS  10           HE1      LYS  10  -7.104   1.309   1.309
  145   1HZ   LYS  10           HZ3      LYS  10  -7.865  -1.023  -1.023
  146   2HZ   LYS  10           HZ2      LYS  10  -6.249  -1.530  -1.530
  147   3HZ   LYS  10           HZ1      LYS  10  -6.997  -0.737  -0.737
  148    H    ALA  11            HN      ALA  11  -6.350   3.503   3.503
  149    HA   ALA  11            HA      ALA  11  -3.622   2.804   2.804
  150   1HB   ALA  11           HB1      ALA  11  -5.023   4.525   4.525
  151   2HB   ALA  11           HB3      ALA  11  -4.762   5.585   5.585
  152   3HB   ALA  11           HB2      ALA  11  -3.382   5.028   5.028
  153    H    THR  12            HN      THR  12  -1.883   3.068   3.068
  154    HA   THR  12            HA      THR  12  -2.468   4.408   4.408
  155    HB   THR  12            HB      THR  12  -1.905   2.134   2.134
  156    HG1  THR  12           HG1      THR  12  -0.005   2.383   2.383
  157   1HG2  THR  12          HG23      THR  12   0.418   2.509   2.509
  158   2HG2  THR  12          HG22      THR  12   0.142   1.070   1.070
  159   3HG2  THR  12          HG21      THR  12  -1.012   1.517   1.517
  160    H    ALA  13            HN      ALA  13  -0.066   4.071   4.071
  161    HA   ALA  13            HA      ALA  13   1.578   6.260   6.260
  162   1HB   ALA  13           HB1      ALA  13   1.857   4.349   4.349
  163   2HB   ALA  13           HB3      ALA  13   2.772   5.860   5.860
  164   3HB   ALA  13           HB2      ALA  13   2.996   4.702   4.702
  165    H    ASP  14            HN      ASP  14   2.145   8.039   8.039
  166    HA   ASP  14            HA      ASP  14  -0.133   9.479   9.479
  167   1HB   ASP  14           HB2      ASP  14   2.273  10.158  10.158
  168   2HB   ASP  14           HB1      ASP  14   2.615  10.030  10.030
  169    H    ASP  15            HN      ASP  15   2.017   7.284   7.284
  170    HA   ASP  15            HA      ASP  15   0.699   7.841   7.841
  171   1HB   ASP  15           HB2      ASP  15   2.672   7.046   7.046
  172   2HB   ASP  15           HB1      ASP  15   3.185   8.146   8.146
  173    H    GLU  16            HN      GLU  16  -0.553   6.160   6.160
  174    HA   GLU  16            HA      GLU  16  -0.268   3.461   3.461
  175   1HB   GLU  16           HB2      GLU  16   0.041   3.861   3.861
  176   2HB   GLU  16           HB1      GLU  16  -1.707   4.053   4.053
  177   1HG   GLU  16           HG2      GLU  16  -2.074   1.840   1.840
  178   2HG   GLU  16           HG1      GLU  16  -0.857   1.705   1.705
  179    H    LEU  17            HN      LEU  17  -2.473   2.236   2.236
  180    HA   LEU  17            HA      LEU  17  -4.608   4.126   4.126
  181   1HB   LEU  17           HB2      LEU  17  -3.578   3.065   3.065
  182   2HB   LEU  17           HB1      LEU  17  -3.837   1.480   1.480
  183    HG   LEU  17            HG      LEU  17  -6.322   1.989   1.989
  184   1HD1  LEU  17          HD13      LEU  17  -5.578   4.553   4.553
  185   2HD1  LEU  17          HD12      LEU  17  -5.857   4.047   4.047
  186   3HD1  LEU  17          HD11      LEU  17  -7.153   3.923   3.923
  187   1HD2  LEU  17          HD23      LEU  17  -4.556   1.412   1.412
  188   2HD2  LEU  17          HD22      LEU  17  -6.038   0.601   0.601
  189   3HD2  LEU  17          HD21      LEU  17  -6.126   2.055   2.055
  190    H    SER  18            HN      SER  18  -6.777   3.470   3.470
  191    HA   SER  18            HA      SER  18  -7.066   1.443   1.443
  192   1HB   SER  18           HB2      SER  18  -9.077   3.453   3.453
  193   2HB   SER  18           HB1      SER  18  -8.727   2.724   2.724
  194    HG   SER  18            HG      SER  18  -7.979   5.036   5.036
  195    H    PHE  19            HN      PHE  19  -9.121   0.219   0.219
  196    HA   PHE  19            HA      PHE  19 -10.933   0.150   0.150
  197   1HB   PHE  19           HB2      PHE  19 -10.179  -1.923  -1.923
  198   2HB   PHE  19           HB1      PHE  19  -9.026  -0.603  -0.603
  199    HD1  PHE  19           HD1      PHE  19  -9.743  -3.660  -3.660
  200    HD2  PHE  19           HD2      PHE  19  -6.784  -0.804  -0.804
  201    HE1  PHE  19           HE1      PHE  19  -7.962  -5.068  -5.068
  202    HE2  PHE  19           HE2      PHE  19  -5.004  -2.212  -2.212
  203    HZ   PHE  19            HZ      PHE  19  -5.593  -4.344  -4.344
  204    H    LYS  20            HN      LYS  20 -12.222  -1.993  -1.993
  205    HA   LYS  20            HA      LYS  20 -12.175  -3.068  -3.068
  206   1HB   LYS  20           HB2      LYS  20 -14.537  -2.747  -2.747
  207   2HB   LYS  20           HB1      LYS  20 -14.594  -3.350  -3.350
  208   1HG   LYS  20           HG2      LYS  20 -13.376  -0.679  -0.679
  209   2HG   LYS  20           HG1      LYS  20 -15.125  -0.839  -0.839
  210   1HD   LYS  20           HD2      LYS  20 -13.461  -2.088  -2.088
  211   2HD   LYS  20           HD1      LYS  20 -13.623  -0.331  -0.331
  212   1HE   LYS  20           HE2      LYS  20 -16.024  -2.149  -2.149
  213   2HE   LYS  20           HE1      LYS  20 -15.384  -1.658  -1.658
  214   1HZ   LYS  20           HZ3      LYS  20 -15.959   0.358   0.358
  215   2HZ   LYS  20           HZ2      LYS  20 -17.212  -0.245  -0.245
  216   3HZ   LYS  20           HZ1      LYS  20 -15.885   0.547   0.547
  217    H    ARG  21            HN      ARG  21 -13.530  -5.223  -5.223
  218    HA   ARG  21            HA      ARG  21 -12.078  -7.097  -7.097
  219   1HB   ARG  21           HB2      ARG  21 -12.763  -7.635  -7.635
  220   2HB   ARG  21           HB1      ARG  21 -14.457  -7.410  -7.410
  221   1HG   ARG  21           HG2      ARG  21 -14.234  -9.274  -9.274
  222   2HG   ARG  21           HG1      ARG  21 -12.586  -9.544  -9.544
  223   1HD   ARG  21           HD2      ARG  21 -13.328 -10.648 -10.648
  224   2HD   ARG  21           HD1      ARG  21 -14.440  -9.337  -9.337
  225    HE   ARG  21            HE      ARG  21 -15.102 -11.736 -11.736
  226   1HH1  ARG  21          HH11      ARG  21 -16.044  -8.690  -8.690
  227   2HH1  ARG  21          HH12      ARG  21 -17.687  -8.848  -8.848
  228   1HH2  ARG  21          HH21      ARG  21 -17.183 -11.924 -11.924
  229   2HH2  ARG  21          HH22      ARG  21 -18.332 -10.679 -10.679
  230    H    GLY  22            HN      GLY  22 -12.578  -7.163  -7.163
  231   1HA   GLY  22           HA2      GLY  22 -14.188  -8.104  -8.104
  232   2HA   GLY  22           HA1      GLY  22 -15.468  -7.269  -7.269
  233    H    ASP  23            HN      ASP  23 -12.826  -5.220  -5.220
  234    HA   ASP  23            HA      ASP  23 -13.899  -3.707  -3.707
  235   1HB   ASP  23           HB2      ASP  23 -13.063  -3.009  -3.009
  236   2HB   ASP  23           HB1      ASP  23 -11.829  -2.371  -2.371
  237    H    ILE  24            HN      ILE  24 -12.872  -4.297  -4.297
  238    HA   ILE  24            HA      ILE  24 -10.094  -5.203  -5.203
  239    HB   ILE  24            HB      ILE  24 -11.665  -4.630  -4.630
  240   1HG1  ILE  24          HG12      ILE  24 -11.887  -6.971  -6.971
  241   2HG1  ILE  24          HG11      ILE  24 -13.194  -5.967  -5.967
  242   1HG2  ILE  24          HG21      ILE  24  -9.107  -5.389  -5.389
  243   2HG2  ILE  24          HG23      ILE  24  -9.867  -6.975  -6.975
  244   3HG2  ILE  24          HG22      ILE  24 -10.053  -5.946  -5.946
  245   1HD1  ILE  24          HD13      ILE  24 -12.254  -6.924  -6.924
  246   2HD1  ILE  24          HD12      ILE  24 -11.786  -8.253  -8.253
  247   3HD1  ILE  24          HD11      ILE  24 -13.478  -7.772  -7.772
  248    H    LEU  25            HN      LEU  25  -8.315  -4.085  -4.085
  249    HA   LEU  25            HA      LEU  25  -8.688  -1.146  -1.146
  250   1HB   LEU  25           HB2      LEU  25  -6.004  -2.467  -2.467
  251   2HB   LEU  25           HB1      LEU  25  -6.505  -0.845  -0.845
  252    HG   LEU  25            HG      LEU  25  -6.428  -1.921  -1.921
  253   1HD1  LEU  25          HD12      LEU  25  -8.858  -1.114  -1.114
  254   2HD1  LEU  25          HD11      LEU  25  -9.223  -2.799  -2.799
  255   3HD1  LEU  25          HD13      LEU  25  -8.572  -1.802  -1.802
  256   1HD2  LEU  25          HD21      LEU  25  -6.349  -4.238  -4.238
  257   2HD2  LEU  25          HD23      LEU  25  -6.514  -4.172  -4.172
  258   3HD2  LEU  25          HD22      LEU  25  -7.945  -4.373  -4.373
  259    H    LYS  26            HN      LYS  26  -7.142   0.001   0.001
  260    HA   LYS  26            HA      LYS  26  -6.896  -1.628  -1.628
  261   1HB   LYS  26           HB2      LYS  26  -8.036   0.845   0.845
  262   2HB   LYS  26           HB1      LYS  26  -6.413   1.289   1.289
  263   1HG   LYS  26           HG2      LYS  26  -6.712   0.432   0.432
  264   2HG   LYS  26           HG1      LYS  26  -7.746  -0.879  -0.879
  265   1HD   LYS  26           HD2      LYS  26  -9.531   0.877   0.877
  266   2HD   LYS  26           HD1      LYS  26  -8.512   2.016   2.016
  267   1HE   LYS  26           HE2      LYS  26  -8.519   0.398   0.398
  268   2HE   LYS  26           HE1      LYS  26  -9.724  -0.546  -0.546
  269   1HZ   LYS  26           HZ2      LYS  26 -11.090   1.505   1.505
  270   2HZ   LYS  26           HZ1      LYS  26  -9.973   2.261   2.261
  271   3HZ   LYS  26           HZ3      LYS  26 -10.857   0.920   0.920
  272    H    VAL  27            HN      VAL  27  -4.874  -2.625  -2.625
  273    HA   VAL  27            HA      VAL  27  -2.631  -1.423  -1.423
  274    HB   VAL  27            HB      VAL  27  -2.492  -3.506  -3.506
  275   1HG1  VAL  27          HG13      VAL  27  -0.456  -2.198  -2.198
  276   2HG1  VAL  27          HG12      VAL  27  -0.730  -3.473  -3.473
  277   3HG1  VAL  27          HG11      VAL  27  -0.345  -3.894  -3.894
  278   1HG2  VAL  27          HG21      VAL  27  -3.496  -3.597  -3.597
  279   2HG2  VAL  27          HG23      VAL  27  -3.896  -4.634  -4.634
  280   3HG2  VAL  27          HG22      VAL  27  -2.401  -4.899  -4.899
  281    H    LEU  28            HN      LEU  28  -1.756   0.433   0.433
  282    HA   LEU  28            HA      LEU  28  -1.565   1.242   1.242
  283   1HB   LEU  28           HB2      LEU  28  -0.196   2.670   2.670
  284   2HB   LEU  28           HB1      LEU  28  -0.829   3.350   3.350
  285    HG   LEU  28            HG      LEU  28  -2.948   2.103   2.103
  286   1HD1  LEU  28          HD12      LEU  28  -1.292   4.301   4.301
  287   2HD1  LEU  28          HD11      LEU  28  -2.920   3.878   3.878
  288   3HD1  LEU  28          HD13      LEU  28  -1.616   2.702   2.702
  289   1HD2  LEU  28          HD22      LEU  28  -2.773   4.024   4.024
  290   2HD2  LEU  28          HD21      LEU  28  -4.138   3.892   3.892
  291   3HD2  LEU  28          HD23      LEU  28  -2.838   5.036   5.036
  292    H    ASN  29            HN      ASN  29   0.427   0.068   0.068
  293    HA   ASN  29            HA      ASN  29   2.648  -0.347  -0.347
  294   1HB   ASN  29           HB2      ASN  29   3.055   1.541   1.541
  295   2HB   ASN  29           HB1      ASN  29   3.161   0.261   0.261
  296   1HD2  ASN  29          HD22      ASN  29   6.625   0.289   0.289
  297   2HD2  ASN  29          HD21      ASN  29   5.494   0.823   0.823
  298    H    GLU  30            HN      GLU  30   2.928  -2.491  -2.491
  299    HA   GLU  30            HA      GLU  30   1.859  -4.422  -4.422
  300   1HB   GLU  30           HB2      GLU  30   3.606  -4.599  -4.599
  301   2HB   GLU  30           HB1      GLU  30   3.282  -6.023  -6.023
  302   1HG   GLU  30           HG2      GLU  30   0.945  -5.908  -5.908
  303   2HG   GLU  30           HG1      GLU  30   1.054  -4.259  -4.259
  304    H    GLU  31            HN      GLU  31   2.954  -5.657  -5.657
  305    HA   GLU  31            HA      GLU  31   4.616  -6.194  -6.194
  306   1HB   GLU  31           HB2      GLU  31   6.543  -5.258  -5.258
  307   2HB   GLU  31           HB1      GLU  31   6.904  -6.320  -6.320
  308   1HG   GLU  31           HG2      GLU  31   5.174  -7.926  -7.926
  309   2HG   GLU  31           HG1      GLU  31   5.100  -6.912  -6.912
  310    H    CYS  32            HN      CYS  32   6.145  -5.209  -5.209
  311    HA   CYS  32            HA      CYS  32   7.284  -2.676  -2.676
  312   1HB   CYS  32           HB2      CYS  32   4.356  -2.499  -2.499
  313   2HB   CYS  32           HB1      CYS  32   5.206  -1.731  -1.731
  314    HG   CYS  32            HG      CYS  32   5.887   0.108   0.108
  315    H    ASP  33            HN      ASP  33   7.680  -1.890  -1.890
  316    HA   ASP  33            HA      ASP  33   8.782  -2.573  -2.573
  317   1HB   ASP  33           HB2      ASP  33   6.345  -1.725  -1.725
  318   2HB   ASP  33           HB1      ASP  33   6.021  -3.379  -3.379
  319    H    GLN  34            HN      GLN  34   7.528  -4.716  -4.716
  320    HA   GLN  34            HA      GLN  34   8.873  -6.909  -6.909
  321   1HB   GLN  34           HB2      GLN  34   8.499  -6.191  -6.191
  322   2HB   GLN  34           HB1      GLN  34   8.602  -7.909  -7.909
  323   1HG   GLN  34           HG2      GLN  34  10.850  -7.500  -7.500
  324   2HG   GLN  34           HG1      GLN  34  10.669  -7.015  -7.015
  325   1HE2  GLN  34          HE22      GLN  34  12.212  -4.286  -4.286
  326   2HE2  GLN  34          HE21      GLN  34  12.471  -5.963  -5.963
  327    H    ASN  35            HN      ASN  35   5.795  -5.893  -5.893
  328    HA   ASN  35            HA      ASN  35   4.528  -8.305  -8.305
  329   1HB   ASN  35           HB2      ASN  35   4.658  -7.773  -7.773
  330   2HB   ASN  35           HB1      ASN  35   3.162  -8.395  -8.395
  331   1HD2  ASN  35          HD22      ASN  35   4.866 -11.439 -11.439
  332   2HD2  ASN  35          HD21      ASN  35   3.853 -10.238 -10.238
  333    H    TRP  36            HN      TRP  36   4.504  -5.259  -5.259
  334    HA   TRP  36            HA      TRP  36   1.547  -4.982  -4.982
  335   1HB   TRP  36           HB2      TRP  36   3.355  -2.649  -2.649
  336   2HB   TRP  36           HB1      TRP  36   1.595  -2.706  -2.706
  337    HD1  TRP  36           HD1      TRP  36   4.406  -4.985  -4.985
  338    HE1  TRP  36           HE1      TRP  36   3.959  -5.237  -5.237
  339    HE3  TRP  36           HE3      TRP  36   0.165  -2.076  -2.076
  340    HZ2  TRP  36           HZ2      TRP  36   2.164  -4.336  -4.336
  341    HZ3  TRP  36           HZ3      TRP  36  -0.823  -1.783  -1.783
  342    HH2  TRP  36           HH2      TRP  36   0.155  -2.914  -2.914
  343    H    TYR  37            HN      TYR  37   0.682  -3.985  -3.985
  344    HA   TYR  37            HA      TYR  37   2.572  -3.352  -3.352
  345   1HB   TYR  37           HB2      TYR  37  -0.442  -3.723  -3.723
  346   2HB   TYR  37           HB1      TYR  37   0.577  -3.512  -3.512
  347    HD1  TYR  37           HD2      TYR  37   2.877  -5.293  -5.293
  348    HD2  TYR  37           HD1      TYR  37  -1.342  -5.831  -5.831
  349    HE1  TYR  37           HE2      TYR  37   3.168  -7.753  -7.753
  350    HE2  TYR  37           HE1      TYR  37  -1.069  -8.278  -8.278
  351    HH   TYR  37            HH      TYR  37   1.100  -9.808  -9.808
  352    H    LYS  38            HN      LYS  38   1.159  -1.666  -1.666
  353    HA   LYS  38            HA      LYS  38   0.440   0.698   0.698
  354   1HB   LYS  38           HB2      LYS  38   2.566   0.862   0.862
  355   2HB   LYS  38           HB1      LYS  38   1.441   0.845   0.845
  356   1HG   LYS  38           HG2      LYS  38   0.217   2.695   2.695
  357   2HG   LYS  38           HG1      LYS  38   1.856   2.932   2.932
  358   1HD   LYS  38           HD2      LYS  38   2.000   2.686   2.686
  359   2HD   LYS  38           HD1      LYS  38   0.729   3.847   3.847
  360   1HE   LYS  38           HE2      LYS  38   2.271   5.127   5.127
  361   2HE   LYS  38           HE1      LYS  38   3.546   3.942   3.942
  362   1HZ   LYS  38           HZ1      LYS  38   3.410   4.451   4.451
  363   2HZ   LYS  38           HZ3      LYS  38   2.234   5.631   5.631
  364   3HZ   LYS  38           HZ2      LYS  38   3.810   5.827   5.827
  365    H    ALA  39            HN      ALA  39  -1.636   1.585   1.585
  366    HA   ALA  39            HA      ALA  39  -2.919   0.896   0.896
  367   1HB   ALA  39           HB2      ALA  39  -3.069  -1.246  -1.246
  368   2HB   ALA  39           HB1      ALA  39  -3.999  -0.408  -0.408
  369   3HB   ALA  39           HB3      ALA  39  -4.650  -0.552  -0.552
  370    H    GLU  40            HN      GLU  40  -5.432   1.218   1.218
  371    HA   GLU  40            HA      GLU  40  -5.837   3.545   3.545
  372   1HB   GLU  40           HB2      GLU  40  -5.497   5.066   5.066
  373   2HB   GLU  40           HB1      GLU  40  -4.838   3.775   3.775
  374   1HG   GLU  40           HG2      GLU  40  -7.043   3.438   3.438
  375   2HG   GLU  40           HG1      GLU  40  -7.775   4.607   4.607
  376    H    LEU  41            HN      LEU  41  -7.768   3.759   3.759
  377    HA   LEU  41            HA      LEU  41  -9.922   2.053   2.053
  378   1HB   LEU  41           HB2      LEU  41  -9.334   3.123   3.123
  379   2HB   LEU  41           HB1      LEU  41 -11.036   2.912   2.912
  380    HG   LEU  41            HG      LEU  41  -9.060   0.760   0.760
  381   1HD1  LEU  41          HD11      LEU  41 -10.008   1.664   1.664
  382   2HD1  LEU  41          HD13      LEU  41 -10.250  -0.055  -0.055
  383   3HD1  LEU  41          HD12      LEU  41  -8.631   0.641   0.641
  384   1HD2  LEU  41          HD22      LEU  41 -11.393   0.821   0.821
  385   2HD2  LEU  41          HD21      LEU  41 -11.049  -0.607  -0.607
  386   3HD2  LEU  41          HD23      LEU  41 -11.993   0.722   0.722
  387    H    ASN  42            HN      ASN  42 -10.686   3.094   3.094
  388    HA   ASN  42            HA      ASN  42 -11.805   4.759   4.759
  389   1HB   ASN  42           HB2      ASN  42 -13.143   4.304   4.304
  390   2HB   ASN  42           HB1      ASN  42 -13.724   5.651   5.651
  391   1HD2  ASN  42          HD22      ASN  42 -14.325   1.804   1.804
  392   2HD2  ASN  42          HD21      ASN  42 -13.285   2.122   2.122
  393    H    GLY  43            HN      GLY  43  -9.531   5.931   5.931
  394   1HA   GLY  43           HA2      GLY  43  -9.441   8.539   8.539
  395   2HA   GLY  43           HA1      GLY  43 -10.597   8.599   8.599
  396    H    LYS  44            HN      LYS  44  -9.342   6.573   6.573
  397    HA   LYS  44            HA      LYS  44  -7.142   8.143   8.143
  398   1HB   LYS  44           HB2      LYS  44  -8.870   5.934   5.934
  399   2HB   LYS  44           HB1      LYS  44  -7.245   6.133   6.133
  400   1HG   LYS  44           HG2      LYS  44  -7.668   8.297   8.297
  401   2HG   LYS  44           HG1      LYS  44  -9.083   8.487   8.487
  402   1HD   LYS  44           HD2      LYS  44  -8.903   6.530   6.530
  403   2HD   LYS  44           HD1      LYS  44  -9.698   8.103   8.103
  404   1HE   LYS  44           HE2      LYS  44 -11.032   7.280   7.280
  405   2HE   LYS  44           HE1      LYS  44 -10.493   5.672   5.672
  406   1HZ   LYS  44           HZ1      LYS  44 -11.370   6.282   6.282
  407   2HZ   LYS  44           HZ3      LYS  44 -12.151   7.587   7.587
  408   3HZ   LYS  44           HZ2      LYS  44 -12.531   5.996   5.996
  409    H    ASP  45            HN      ASP  45  -5.322   6.693   6.693
  410    HA   ASP  45            HA      ASP  45  -4.729   4.373   4.373
  411   1HB   ASP  45           HB2      ASP  45  -3.526   5.144   5.144
  412   2HB   ASP  45           HB1      ASP  45  -4.531   6.554   6.554
  413    H    GLY  46            HN      GLY  46  -2.162   4.014   4.014
  414   1HA   GLY  46           HA2      GLY  46  -0.188   4.722   4.722
  415   2HA   GLY  46           HA1      GLY  46  -1.306   4.673   4.673
  416    H    PHE  47            HN      PHE  47   0.569   3.179   3.179
  417    HA   PHE  47            HA      PHE  47   0.799   0.597   0.597
  418   1HB   PHE  47           HB2      PHE  47   1.671   1.708   1.708
  419   2HB   PHE  47           HB1      PHE  47   1.968   0.028   0.028
  420    HD1  PHE  47           HD1      PHE  47   2.585   3.557   3.557
  421    HD2  PHE  47           HD2      PHE  47   3.696  -0.559  -0.559
  422    HE1  PHE  47           HE1      PHE  47   4.565   4.258   4.258
  423    HE2  PHE  47           HE2      PHE  47   5.676   0.141   0.141
  424    HZ   PHE  47            HZ      PHE  47   6.111   2.550   2.550
  425    H    ILE  48            HN      ILE  48  -0.061  -1.421  -1.421
  426    HA   ILE  48            HA      ILE  48  -2.078  -1.403  -1.403
  427    HB   ILE  48            HB      ILE  48  -3.519  -2.882  -2.882
  428   1HG1  ILE  48          HG12      ILE  48  -1.635  -1.903  -1.903
  429   2HG1  ILE  48          HG11      ILE  48  -1.689  -3.551  -3.551
  430   1HG2  ILE  48          HG22      ILE  48  -2.910  -0.072  -0.072
  431   2HG2  ILE  48          HG21      ILE  48  -4.336  -0.992  -0.992
  432   3HG2  ILE  48          HG23      ILE  48  -4.104  -0.542  -0.542
  433   1HD1  ILE  48          HD12      ILE  48  -4.335  -2.575  -2.575
  434   2HD1  ILE  48          HD11      ILE  48  -3.187  -2.572  -2.572
  435   3HD1  ILE  48          HD13      ILE  48  -3.509  -4.063  -4.063
  436    HA   PRO  49            HA      PRO  49   0.364  -5.011  -5.011
  437   1HB   PRO  49           HB2      PRO  49  -1.280  -6.164  -6.164
  438   2HB   PRO  49           HB1      PRO  49  -0.161  -4.827  -4.827
  439   1HG   PRO  49           HG2      PRO  49  -3.146  -4.757  -4.757
  440   2HG   PRO  49           HG1      PRO  49  -2.108  -3.685  -3.685
  441   1HD   PRO  49           HD2      PRO  49  -3.156  -3.030  -3.030
  442   2HD   PRO  49           HD1      PRO  49  -1.802  -2.225  -2.225
  443    H    LYS  50            HN      LYS  50   0.288  -6.266  -6.266
  444    HA   LYS  50            HA      LYS  50  -1.798  -7.462  -7.462
  445   1HB   LYS  50           HB2      LYS  50   0.382  -7.403  -7.403
  446   2HB   LYS  50           HB1      LYS  50   1.088  -8.232  -8.232
  447   1HG   LYS  50           HG2      LYS  50  -0.979  -9.872  -9.872
  448   2HG   LYS  50           HG1      LYS  50   0.218  -9.392  -9.392
  449   1HD   LYS  50           HD2      LYS  50   1.930 -10.004 -10.004
  450   2HD   LYS  50           HD1      LYS  50   0.585 -11.055 -11.055
  451   1HE   LYS  50           HE2      LYS  50   1.811 -11.011 -11.011
  452   2HE   LYS  50           HE1      LYS  50   2.173 -12.212 -12.212
  453   1HZ   LYS  50           HZ3      LYS  50  -0.167 -12.820 -12.820
  454   2HZ   LYS  50           HZ2      LYS  50  -0.506 -11.671 -11.671
  455   3HZ   LYS  50           HZ1      LYS  50   0.478 -13.010 -13.010
  456    H    ASN  51            HN      ASN  51  -0.559  -8.480  -8.480
  457    HA   ASN  51            HA      ASN  51  -1.264 -11.148 -11.148
  458   1HB   ASN  51           HB2      ASN  51  -0.817  -9.121  -9.121
  459   2HB   ASN  51           HB1      ASN  51  -1.621 -10.559 -10.559
  460   1HD2  ASN  51          HD22      ASN  51   1.254 -12.654 -12.654
  461   2HD2  ASN  51          HD21      ASN  51  -0.444 -12.679 -12.679
  462    H    TYR  52            HN      TYR  52  -3.190  -8.329  -8.329
  463    HA   TYR  52            HA      TYR  52  -5.637  -9.950  -9.950
  464   1HB   TYR  52           HB2      TYR  52  -5.071  -6.978  -6.978
  465   2HB   TYR  52           HB1      TYR  52  -6.676  -7.639  -7.639
  466    HD1  TYR  52           HD1      TYR  52  -4.040  -9.664  -9.664
  467    HD2  TYR  52           HD2      TYR  52  -6.772  -6.427  -6.427
  468    HE1  TYR  52           HE1      TYR  52  -3.753  -9.814  -9.814
  469    HE2  TYR  52           HE2      TYR  52  -6.499  -6.583  -6.583
  470    HH   TYR  52            HH      TYR  52  -4.320  -7.608  -7.608
  471    H    ILE  53            HN      ILE  53  -4.215  -9.957  -9.957
  472    HA   ILE  53            HA      ILE  53  -6.305  -9.031  -9.031
  473    HB   ILE  53            HB      ILE  53  -3.711  -8.074  -8.074
  474   1HG1  ILE  53          HG12      ILE  53  -5.316  -6.440  -6.440
  475   2HG1  ILE  53          HG11      ILE  53  -3.846  -7.308  -7.308
  476   1HG2  ILE  53          HG22      ILE  53  -6.567  -7.291  -7.291
  477   2HG2  ILE  53          HG21      ILE  53  -5.321  -6.112  -6.112
  478   3HG2  ILE  53          HG23      ILE  53  -5.395  -7.612  -7.612
  479   1HD1  ILE  53          HD13      ILE  53  -3.435  -5.789  -5.789
  480   2HD1  ILE  53          HD12      ILE  53  -4.028  -4.741  -4.741
  481   3HD1  ILE  53          HD11      ILE  53  -2.568  -5.689  -5.689
  482    H    GLU  54            HN      GLU  54  -5.852  -9.460  -9.460
  483    HA   GLU  54            HA      GLU  54  -3.882 -11.421 -11.421
  484   1HB   GLU  54           HB2      GLU  54  -6.665 -12.078 -12.078
  485   2HB   GLU  54           HB1      GLU  54  -6.158 -12.387 -12.387
  486   1HG   GLU  54           HG2      GLU  54  -4.061 -13.478 -13.478
  487   2HG   GLU  54           HG1      GLU  54  -5.239 -13.671 -13.671
  488    H    MET  55            HN      MET  55  -3.770 -11.569 -11.569
  489    HA   MET  55            HA      MET  55  -4.590  -8.912  -8.912
  490   1HB   MET  55           HB2      MET  55  -2.888  -9.631  -9.631
  491   2HB   MET  55           HB1      MET  55  -2.314  -8.966  -8.966
  492   1HG   MET  55           HG2      MET  55  -1.551 -11.013 -11.013
  493   2HG   MET  55           HG1      MET  55  -2.697 -11.927 -11.927
  494   1HE   MET  55           HE2      MET  55  -0.153 -13.107 -13.107
  495   2HE   MET  55           HE1      MET  55  -1.157 -13.642 -13.642
  496   3HE   MET  55           HE3      MET  55   0.552 -13.268 -13.268
  497    H    LYS  56            HN      LYS  56  -6.398  -8.920  -8.920
  498    HA   LYS  56            HA      LYS  56  -7.180 -11.231 -11.231
  499   1HB   LYS  56           HB2      LYS  56  -8.491  -8.803  -8.803
  500   2HB   LYS  56           HB1      LYS  56  -9.127  -9.524  -9.524
  501   1HG   LYS  56           HG2      LYS  56  -9.617 -11.567 -11.567
  502   2HG   LYS  56           HG1      LYS  56  -8.512 -11.226 -11.226
  503   1HD   LYS  56           HD2      LYS  56 -10.855 -10.961 -10.961
  504   2HD   LYS  56           HD1      LYS  56 -10.009  -9.414  -9.414
  505   1HE   LYS  56           HE2      LYS  56 -11.225  -8.539  -8.539
  506   2HE   LYS  56           HE1      LYS  56 -11.359 -10.087 -10.087
  507   1HZ   LYS  56           HZ3      LYS  56 -12.756  -9.811  -9.811
  508   2HZ   LYS  56           HZ2      LYS  56 -13.402  -8.977  -8.977
  509   3HZ   LYS  56           HZ1      LYS  56 -13.205 -10.662 -10.662
  510    HA   PRO  57            HA      PRO  57  -5.893  -9.662  -9.662
  511   1HB   PRO  57           HB2      PRO  57  -7.768 -10.627 -10.627
  512   2HB   PRO  57           HB1      PRO  57  -6.444 -11.586 -11.586
  513   1HG   PRO  57           HG2      PRO  57  -9.310 -11.528 -11.528
  514   2HG   PRO  57           HG1      PRO  57  -8.151 -12.843 -12.843
  515   1HD   PRO  57           HD2      PRO  57  -8.989 -11.280 -11.280
  516   2HD   PRO  57           HD1      PRO  57  -7.508 -12.262 -12.262
  517    H    HIS  58            HN      HIS  58  -7.141  -8.757  -8.757
  518    HA   HIS  58            HA      HIS  58  -9.172  -6.762  -6.762
  519   1HB   HIS  58           HB2      HIS  58  -6.990  -5.676  -5.676
  520   2HB   HIS  58           HB1      HIS  58  -6.487  -6.052  -6.052
  521    HD1  HIS  58           HD1      HIS  58  -9.760  -4.552  -4.552
  522    HD2  HIS  58           HD2      HIS  58  -6.628  -3.647  -3.647
  523    HE1  HIS  58           HE1      HIS  58 -10.379  -2.371  -2.371
  524    HA   PRO  59            HA      PRO  59 -10.241  -8.243  -8.243
  525   1HB   PRO  59           HB2      PRO  59 -12.681  -6.987  -6.987
  526   2HB   PRO  59           HB1      PRO  59 -12.423  -8.503  -8.503
  527   1HG   PRO  59           HG2      PRO  59 -12.837  -5.749  -5.749
  528   2HG   PRO  59           HG1      PRO  59 -13.200  -7.316  -7.316
  529   1HD   PRO  59           HD2      PRO  59 -10.963  -5.690  -5.690
  530   2HD   PRO  59           HD1      PRO  59 -11.161  -7.392  -7.392
  531    H    GLU  60            HN      GLU  60 -11.738  -5.012  -5.012
  532    HA   GLU  60            HA      GLU  60  -9.710  -3.602  -3.602
  533   1HB   GLU  60           HB2      GLU  60 -10.908  -5.311  -5.311
  534   2HB   GLU  60           HB1      GLU  60 -12.089  -4.002  -4.002
  535   1HG   GLU  60           HG2      GLU  60 -10.326  -2.412  -2.412
  536   2HG   GLU  60           HG1      GLU  60  -9.110  -3.684  -3.684
  537    H    PHE  61            HN      PHE  61 -13.291  -3.639  -3.639
  538    HA   PHE  61            HA      PHE  61 -13.263  -0.793  -0.793
  539   1HB   PHE  61           HB2      PHE  61 -15.077  -2.433  -2.433
  540   2HB   PHE  61           HB1      PHE  61 -15.791  -1.114  -1.114
  541    HD1  PHE  61           HD1      PHE  61 -12.766  -1.782  -1.782
  542    HD2  PHE  61           HD2      PHE  61 -15.834   0.998   0.998
  543    HE1  PHE  61           HE1      PHE  61 -11.905  -0.149  -0.149
  544    HE2  PHE  61           HE2      PHE  61 -14.973   2.631   2.631
  545    HZ   PHE  61            HZ      PHE  61 -13.007   2.057   2.057
  546    H    ILE  62            HN      ILE  62 -15.587  -0.350  -0.350
  547    HA   ILE  62            HA      ILE  62 -16.003  -2.465  -2.465
  548    HB   ILE  62            HB      ILE  62 -16.237  -0.548  -0.548
  549   1HG1  ILE  62          HG12      ILE  62 -14.495   1.096   1.096
  550   2HG1  ILE  62          HG11      ILE  62 -16.222   1.090   1.090
  551   1HG2  ILE  62          HG23      ILE  62 -13.586  -1.134  -1.134
  552   2HG2  ILE  62          HG22      ILE  62 -13.729  -0.282  -0.282
  553   3HG2  ILE  62          HG21      ILE  62 -14.279  -1.952  -1.952
  554   1HD1  ILE  62          HD11      ILE  62 -15.469   1.424   1.424
  555   2HD1  ILE  62          HD13      ILE  62 -15.118   2.783   2.783
  556   3HD1  ILE  62          HD12      ILE  62 -16.770   2.183   2.183
  557    H    VAL  63            HN      VAL  63 -17.823   0.302   0.302
  558    HA   VAL  63            HA      VAL  63 -20.093   0.812   0.812
  559    HB   VAL  63            HB      VAL  63 -19.850  -0.499  -0.499
  560   1HG1  VAL  63          HG12      VAL  63 -22.128   0.140   0.140
  561   2HG1  VAL  63          HG11      VAL  63 -21.587   1.814   1.814
  562   3HG1  VAL  63          HG13      VAL  63 -21.727   0.849   0.849
  563   1HG2  VAL  63          HG23      VAL  63 -18.894   2.142   2.142
  564   2HG2  VAL  63          HG22      VAL  63 -18.149   1.081   1.081
  565   3HG2  VAL  63          HG21      VAL  63 -19.538   2.073   2.073
  566    H    THR  64            HN      THR  64 -20.588  -0.781  -0.781
  567    HA   THR  64            HA      THR  64 -21.557  -3.412  -3.412
  568    HB   THR  64            HB      THR  64 -21.517  -4.133  -4.133
  569    HG1  THR  64           HG1      THR  64 -20.906  -2.630  -2.630
  570   1HG2  THR  64          HG23      THR  64 -19.329  -3.714  -3.714
  571   2HG2  THR  64          HG22      THR  64 -19.003  -2.524  -2.524
  572   3HG2  THR  64          HG21      THR  64 -19.218  -4.221  -4.221
  573    H    ASP  65            HN      ASP  65 -23.031  -0.908  -0.908
  574    HA   ASP  65            HA      ASP  65 -25.338  -1.091  -1.091
  575   1HB   ASP  65           HB2      ASP  65 -24.416   1.128   1.128
  576   2HB   ASP  65           HB1      ASP  65 -25.006   0.710   0.710
  577   1H    SER   1           HT1      SER   1   0.263 -15.748 -15.748
  578   2H    SER   1           HT3      SER   1  -0.347 -14.590 -14.590
  579   3H    SER   1           HT2      SER   1   1.099 -14.288 -14.288
  580    HA   SER   1            HA      SER   1  -0.077 -14.226 -14.226
  581   1HB   SER   1           HB2      SER   1  -1.672 -12.477 -12.477
  582   2HB   SER   1           HB1      SER   1  -0.954 -12.085 -12.085
  583    HG   SER   1            HG      SER   1   0.069 -11.368 -11.368
  584    HA   PRO   2            HA      PRO   2  -3.950 -16.350 -16.350
  585   1HB   PRO   2           HB2      PRO   2  -5.000 -15.298 -15.298
  586   2HB   PRO   2           HB1      PRO   2  -3.699 -16.502 -16.502
  587   1HG   PRO   2           HG2      PRO   2  -3.534 -13.577 -13.577
  588   2HG   PRO   2           HG1      PRO   2  -2.474 -14.890 -14.890
  589   1HD   PRO   2           HD2      PRO   2  -1.918 -13.065 -13.065
  590   2HD   PRO   2           HD1      PRO   2  -1.034 -14.569 -14.569
  591    H    LEU   3            HN      LEU   3  -4.608 -13.067 -13.067
  592    HA   LEU   3            HA      LEU   3  -7.109 -12.925 -12.925
  593   1HB   LEU   3           HB2      LEU   3  -6.087 -11.736 -11.736
  594   2HB   LEU   3           HB1      LEU   3  -6.289 -10.411 -10.411
  595    HG   LEU   3            HG      LEU   3  -8.355 -10.742 -10.742
  596   1HD1  LEU   3          HD11      LEU   3  -8.439 -11.490 -11.490
  597   2HD1  LEU   3          HD13      LEU   3  -9.915 -11.308 -11.308
  598   3HD1  LEU   3          HD12      LEU   3  -8.821  -9.940  -9.940
  599   1HD2  LEU   3          HD21      LEU   3  -7.872 -13.572 -13.572
  600   2HD2  LEU   3          HD23      LEU   3  -8.572 -12.919 -12.919
  601   3HD2  LEU   3          HD22      LEU   3  -9.551 -13.040 -13.040
  602    H    LEU   4            HN      LEU   4  -6.879 -10.003 -10.003
  603    HA   LEU   4            HA      LEU   4  -4.830 -10.083 -10.083
  604   1HB   LEU   4           HB2      LEU   4  -7.752  -9.736  -9.736
  605   2HB   LEU   4           HB1      LEU   4  -6.843  -8.505  -8.505
  606    HG   LEU   4            HG      LEU   4  -5.480 -10.459 -10.459
  607   1HD1  LEU   4          HD12      LEU   4  -7.721 -11.872 -11.872
  608   2HD1  LEU   4          HD11      LEU   4  -7.130 -12.523 -12.523
  609   3HD1  LEU   4          HD13      LEU   4  -6.030 -12.345 -12.345
  610   1HD2  LEU   4          HD23      LEU   4  -7.600  -9.081  -9.081
  611   2HD2  LEU   4          HD22      LEU   4  -6.845 -10.384 -10.384
  612   3HD2  LEU   4          HD21      LEU   4  -8.308 -10.697 -10.697
  613    HA   PRO   5            HA      PRO   5  -4.743  -6.070  -6.070
  614   1HB   PRO   5           HB2      PRO   5  -2.361  -6.434  -6.434
  615   2HB   PRO   5           HB1      PRO   5  -3.936  -6.882  -6.882
  616   1HG   PRO   5           HG2      PRO   5  -1.807  -8.655  -8.655
  617   2HG   PRO   5           HG1      PRO   5  -3.040  -9.015  -9.015
  618   1HD   PRO   5           HD2      PRO   5  -3.148  -9.786  -9.786
  619   2HD   PRO   5           HD1      PRO   5  -4.497  -9.801  -9.801
  620    H    LYS   6            HN      LYS   6  -1.515  -7.476  -7.476
  621    HA   LYS   6            HA      LYS   6  -1.002  -5.205  -5.205
  622   1HB   LYS   6           HB2      LYS   6   0.426  -5.972  -5.972
  623   2HB   LYS   6           HB1      LYS   6   1.332  -6.740  -6.740
  624   1HG   LYS   6           HG2      LYS   6   1.739  -4.672  -4.672
  625   2HG   LYS   6           HG1      LYS   6   0.485  -3.846  -3.846
  626   1HD   LYS   6           HD2      LYS   6   1.924  -3.351  -3.351
  627   2HD   LYS   6           HD1      LYS   6   2.466  -5.024  -5.024
  628   1HE   LYS   6           HE2      LYS   6   3.419  -3.445  -3.445
  629   2HE   LYS   6           HE1      LYS   6   4.111  -3.049  -3.049
  630   1HZ   LYS   6           HZ3      LYS   6   4.527  -5.486  -5.486
  631   2HZ   LYS   6           HZ2      LYS   6   4.112  -5.676  -5.676
  632   3HZ   LYS   6           HZ1      LYS   6   5.453  -4.729  -4.729
  633    H    LEU   7            HN      LEU   7   1.274  -6.266  -6.266
  634    HA   LEU   7            HA      LEU   7   0.060  -8.516  -8.516
  635   1HB   LEU   7           HB2      LEU   7   1.935  -6.280  -6.280
  636   2HB   LEU   7           HB1      LEU   7   1.926  -7.764  -7.764
  637    HG   LEU   7            HG      LEU   7   0.391  -6.088  -6.088
  638   1HD1  LEU   7          HD13      LEU   7  -0.109  -8.646  -8.646
  639   2HD1  LEU   7          HD12      LEU   7  -1.362  -8.186  -8.186
  640   3HD1  LEU   7          HD11      LEU   7  -1.401  -7.555  -7.555
  641   1HD2  LEU   7          HD22      LEU   7  -0.096  -5.124  -5.124
  642   2HD2  LEU   7          HD21      LEU   7  -1.394  -5.118  -5.118
  643   3HD2  LEU   7          HD23      LEU   7  -1.356  -6.356  -6.356
  644    HA   PRO   8            HA      PRO   8   3.315 -11.119 -11.119
  645   1HB   PRO   8           HB2      PRO   8   3.385 -12.985 -12.985
  646   2HB   PRO   8           HB1      PRO   8   2.121 -12.927 -12.927
  647   1HG   PRO   8           HG2      PRO   8   1.972 -12.110 -12.110
  648   2HG   PRO   8           HG1      PRO   8   0.675 -12.652 -12.652
  649   1HD   PRO   8           HD2      PRO   8   1.217  -9.966  -9.966
  650   2HD   PRO   8           HD1      PRO   8   0.142 -10.497 -10.497
  651    HA   PRO   9            HA      PRO   9   6.859  -9.590  -9.590
  652   1HB   PRO   9           HB2      PRO   9   8.826 -10.558 -10.558
  653   2HB   PRO   9           HB1      PRO   9   7.887  -9.097  -9.097
  654   1HG   PRO   9           HG2      PRO   9   7.682 -11.801 -11.801
  655   2HG   PRO   9           HG1      PRO   9   7.238 -10.222 -10.222
  656   1HD   PRO   9           HD2      PRO   9   5.446 -12.147 -12.147
  657   2HD   PRO   9           HD1      PRO   9   5.057 -10.464 -10.464
  658    H    LYS  10            HN      LYS  10   6.531 -11.075 -11.075
  659    HA   LYS  10            HA      LYS  10   7.348 -12.699 -12.699
  660   1HB   LYS  10           HB2      LYS  10   9.491 -12.405 -12.405
  661   2HB   LYS  10           HB1      LYS  10   9.225 -14.140 -14.140
  662   1HG   LYS  10           HG2      LYS  10  10.712 -13.687 -13.687
  663   2HG   LYS  10           HG1      LYS  10   9.137 -13.702 -13.702
  664   1HD   LYS  10           HD2      LYS  10   9.069 -11.371 -11.371
  665   2HD   LYS  10           HD1      LYS  10  10.235 -11.128 -11.128
  666   1HE   LYS  10           HE2      LYS  10  11.392 -10.680 -10.680
  667   2HE   LYS  10           HE1      LYS  10  11.966 -12.244 -12.244
  668   1HZ   LYS  10           HZ1      LYS  10  10.016 -13.127 -13.127
  669   2HZ   LYS  10           HZ3      LYS  10  10.167 -11.638 -11.638
  670   3HZ   LYS  10           HZ2      LYS  10  11.489 -12.704 -12.704
  671    H    THR  11            HN      THR  11   7.884 -14.570 -14.570
  672    HA   THR  11            HA      THR  11   5.393 -16.087 -16.087
  673    HB   THR  11            HB      THR  11   6.562 -18.223 -18.223
  674    HG1  THR  11           HG1      THR  11   8.810 -18.241 -18.241
  675   1HG2  THR  11          HG22      THR  11   6.406 -17.180 -17.180
  676   2HG2  THR  11          HG21      THR  11   7.946 -16.366 -16.366
  677   3HG2  THR  11          HG23      THR  11   7.887 -18.125 -18.125
  678    H    TYR  12            HN      TYR  12   5.013 -17.688 -17.688
  679    HA   TYR  12            HA      TYR  12   5.622 -16.232 -16.232
  680   1HB   TYR  12           HB2      TYR  12   3.754 -17.602 -17.602
  681   2HB   TYR  12           HB1      TYR  12   3.246 -16.604 -16.604
  682    HD1  TYR  12           HD2      TYR  12   4.090 -20.046 -20.046
  683    HD2  TYR  12           HD1      TYR  12   2.566 -17.584 -17.584
  684    HE1  TYR  12           HE2      TYR  12   3.305 -22.072 -22.072
  685    HE2  TYR  12           HE1      TYR  12   1.780 -19.612 -19.612
  686    HH   TYR  12            HH      TYR  12   1.689 -22.705 -22.705
  687    H    LYS  13            HN      LYS  13   5.406 -18.193 -18.193
  688    HA   LYS  13            HA      LYS  13   7.948 -19.475 -19.475
  689   1HB   LYS  13           HB2      LYS  13   5.519 -20.083 -20.083
  690   2HB   LYS  13           HB1      LYS  13   7.129 -20.749 -20.749
  691   1HG   LYS  13           HG2      LYS  13   8.048 -18.626 -18.626
  692   2HG   LYS  13           HG1      LYS  13   6.679 -17.772 -17.772
  693   1HD   LYS  13           HD2      LYS  13   6.044 -19.623 -19.623
  694   2HD   LYS  13           HD1      LYS  13   6.936 -18.163 -18.163
  695   1HE   LYS  13           HE2      LYS  13   5.231 -16.775 -16.775
  696   2HE   LYS  13           HE1      LYS  13   4.348 -18.221 -18.221
  697   1HZ   LYS  13           HZ3      LYS  13   4.197 -18.789 -18.789
  698   2HZ   LYS  13           HZ2      LYS  13   4.848 -17.261 -17.261
  699   3HZ   LYS  13           HZ1      LYS  13   3.351 -17.384 -17.384
  700    H    ARG  14            HN      ARG  14   5.411 -21.817 -21.817
  701    HA   ARG  14            HA      ARG  14   4.942 -23.053 -23.053
  702   1HB   ARG  14           HB2      ARG  14   7.704 -23.468 -23.468
  703   2HB   ARG  14           HB1      ARG  14   6.848 -24.984 -24.984
  704   1HG   ARG  14           HG2      ARG  14   6.127 -23.439 -23.439
  705   2HG   ARG  14           HG1      ARG  14   7.812 -22.991 -22.991
  706   1HD   ARG  14           HD2      ARG  14   8.413 -24.902 -24.902
  707   2HD   ARG  14           HD1      ARG  14   7.713 -25.799 -25.799
  708    HE   ARG  14            HE      ARG  14   5.771 -26.209 -26.209
  709   1HH1  ARG  14          HH21      ARG  14   5.588 -23.408 -23.408
  710   2HH1  ARG  14          HH22      ARG  14   5.877 -23.718 -23.718
  711   1HH2  ARG  14          HH11      ARG  14   7.179 -26.887 -26.887
  712   2HH2  ARG  14          HH12      ARG  14   6.779 -25.687 -25.687
  713    H    GLU  15            HN      GLU  15   3.680 -24.905 -24.905
  714    HA   GLU  15            HA      GLU  15   3.610 -26.065 -26.065
  715   1HB   GLU  15           HB2      GLU  15   1.741 -24.281 -24.281
  716   2HB   GLU  15           HB1      GLU  15   1.028 -25.685 -25.685
  717   1HG   GLU  15           HG2      GLU  15   0.111 -25.923 -25.923
  718   2HG   GLU  15           HG1      GLU  15   1.595 -26.852 -26.852

  Start of MODEL   10
    1   1H    GLY  -8           HT2      GLY  -8   8.222  -3.113  -3.113
    2   2H    GLY  -8           HT1      GLY  -8   9.611  -3.053  -3.053
    3   3H    GLY  -8           HT3      GLY  -8   9.702  -2.611  -2.611
    4   1HA   GLY  -8           HA1      GLY  -8   9.038  -0.576  -0.576
    5   2HA   GLY  -8           HA2      GLY  -8   9.344  -0.905  -0.905
    6    H    SER  -7            HN      SER  -7   7.214  -0.059  -0.059
    7    HA   SER  -7            HA      SER  -7   5.004   0.142   0.142
    8   1HB   SER  -7           HB2      SER  -7   5.580   2.373   2.373
    9   2HB   SER  -7           HB1      SER  -7   4.596   2.416   2.416
   10    HG   SER  -7            HG      SER  -7   6.518   3.343   3.343
   11    H    ARG  -6            HN      ARG  -6   3.085  -0.558  -0.558
   12    HA   ARG  -6            HA      ARG  -6   3.014  -1.168  -1.168
   13   1HB   ARG  -6           HB2      ARG  -6   2.231  -2.644  -2.644
   14   2HB   ARG  -6           HB1      ARG  -6   0.698  -1.997  -1.997
   15   1HG   ARG  -6           HG2      ARG  -6   2.565  -3.092  -3.092
   16   2HG   ARG  -6           HG1      ARG  -6   1.771  -4.257  -4.257
   17   1HD   ARG  -6           HD2      ARG  -6  -0.426  -3.312  -3.312
   18   2HD   ARG  -6           HD1      ARG  -6   0.359  -2.133  -2.133
   19    HE   ARG  -6            HE      ARG  -6   0.136  -5.040  -5.040
   20   1HH1  ARG  -6          HH21      ARG  -6   2.775  -3.744  -3.744
   21   2HH1  ARG  -6          HH22      ARG  -6   2.412  -3.326  -3.326
   22   1HH2  ARG  -6          HH11      ARG  -6  -1.013  -3.697  -3.697
   23   2HH2  ARG  -6          HH12      ARG  -6   0.269  -3.301  -3.301
   24    H    ARG  -5            HN      ARG  -5   2.486   1.567   1.567
   25    HA   ARG  -5            HA      ARG  -5   1.046   3.389   3.389
   26   1HB   ARG  -5           HB2      ARG  -5   0.584   1.696   1.696
   27   2HB   ARG  -5           HB1      ARG  -5  -0.345   3.174   3.174
   28   1HG   ARG  -5           HG2      ARG  -5   1.506   3.945   3.945
   29   2HG   ARG  -5           HG1      ARG  -5   1.986   4.267   4.267
   30   1HD   ARG  -5           HD2      ARG  -5   3.396   2.351   2.351
   31   2HD   ARG  -5           HD1      ARG  -5   2.689   1.681   1.681
   32    HE   ARG  -5            HE      ARG  -5   4.745   3.772   3.772
   33   1HH1  ARG  -5          HH11      ARG  -5   2.644   4.821   4.821
   34   2HH1  ARG  -5          HH12      ARG  -5   3.104   4.144   4.144
   35   1HH2  ARG  -5          HH21      ARG  -5   5.197   1.754   1.754
   36   2HH2  ARG  -5          HH22      ARG  -5   4.548   2.406   2.406
   37    H    ALA  -4            HN      ALA  -4   0.101   1.100   1.100
   38    HA   ALA  -4            HA      ALA  -4  -2.831   1.158   1.158
   39   1HB   ALA  -4           HB2      ALA  -4  -1.291  -0.970  -0.970
   40   2HB   ALA  -4           HB1      ALA  -4  -1.709  -0.471  -0.471
   41   3HB   ALA  -4           HB3      ALA  -4  -2.983  -0.867  -0.867
   42    H    SER  -3            HN      SER  -3  -1.215   3.409   3.409
   43    HA   SER  -3            HA      SER  -3  -1.451   4.977   4.977
   44   1HB   SER  -3           HB2      SER  -3  -4.090   3.541   3.541
   45   2HB   SER  -3           HB1      SER  -3  -3.748   4.736   4.736
   46    HG   SER  -3            HG      SER  -3  -4.417   5.094   5.094
   47    H    VAL  -2            HN      VAL  -2  -3.307   2.600   2.600
   48    HA   VAL  -2            HA      VAL  -2  -0.903   1.922   1.922
   49    HB   VAL  -2            HB      VAL  -2  -3.418   3.138   3.138
   50   1HG1  VAL  -2          HG12      VAL  -2  -0.931   1.902   1.902
   51   2HG1  VAL  -2          HG11      VAL  -2  -1.802   3.151   3.151
   52   3HG1  VAL  -2          HG13      VAL  -2  -2.612   1.645   1.645
   53   1HG2  VAL  -2          HG21      VAL  -2  -0.646   4.207   4.207
   54   2HG2  VAL  -2          HG23      VAL  -2  -2.201   4.934   4.934
   55   3HG2  VAL  -2          HG22      VAL  -2  -1.657   4.893   4.893
   56    H    GLY  -1            HN      GLY  -1  -1.408   0.122   0.122
   57   1HA   GLY  -1           HA2      GLY  -1  -3.910  -1.358  -1.358
   58   2HA   GLY  -1           HA1      GLY  -1  -2.428  -2.155  -2.155
   59    H    SER   0            HN      SER   0  -3.933  -0.669  -0.669
   60    HA   SER   0            HA      SER   0  -2.087  -2.123  -2.123
   61   1HB   SER   0           HB2      SER   0  -3.775  -1.054  -1.054
   62   2HB   SER   0           HB1      SER   0  -2.567  -0.047  -0.047
   63    HG   SER   0            HG      SER   0  -4.255   1.049   1.049
   64    H    MET   1            HN      MET   1  -3.099  -3.421  -3.421
   65    HA   MET   1            HA      MET   1  -5.415  -5.000  -5.000
   66   1HB   MET   1           HB2      MET   1  -2.879  -5.798  -5.798
   67   2HB   MET   1           HB1      MET   1  -4.339  -6.725  -6.725
   68   1HG   MET   1           HG2      MET   1  -4.606  -7.439  -7.439
   69   2HG   MET   1           HG1      MET   1  -3.659  -6.105  -6.105
   70   1HE   MET   1           HE1      MET   1  -3.740  -9.075  -9.075
   71   2HE   MET   1           HE3      MET   1  -2.244  -9.970  -9.970
   72   3HE   MET   1           HE2      MET   1  -3.495  -9.900  -9.900
   73    H    GLU   2            HN      GLU   2  -6.218  -6.344  -6.344
   74    HA   GLU   2            HA      GLU   2  -6.691  -4.223  -4.223
   75   1HB   GLU   2           HB2      GLU   2  -8.558  -5.419  -5.419
   76   2HB   GLU   2           HB1      GLU   2  -8.788  -6.223  -6.223
   77   1HG   GLU   2           HG2      GLU   2  -9.257  -4.190  -4.190
   78   2HG   GLU   2           HG1      GLU   2  -8.596  -3.223  -3.223
   79    H    ALA   3            HN      ALA   3  -7.612  -5.443  -5.443
   80    HA   ALA   3            HA      ALA   3  -6.566  -8.118  -8.118
   81   1HB   ALA   3           HB1      ALA   3  -5.258  -5.715  -5.715
   82   2HB   ALA   3           HB3      ALA   3  -5.316  -7.192  -7.192
   83   3HB   ALA   3           HB2      ALA   3  -4.544  -7.205  -7.205
   84    H    ILE   4            HN      ILE   4  -8.140  -9.059  -9.059
   85    HA   ILE   4            HA      ILE   4 -10.256  -7.762  -7.762
   86    HB   ILE   4            HB      ILE   4 -10.582  -9.910  -9.910
   87   1HG1  ILE   4          HG12      ILE   4 -10.665 -10.867 -10.867
   88   2HG1  ILE   4          HG11      ILE   4 -11.341  -9.248  -9.248
   89   1HG2  ILE   4          HG21      ILE   4  -8.066 -10.493 -10.493
   90   2HG2  ILE   4          HG23      ILE   4  -9.267 -11.747 -11.747
   91   3HG2  ILE   4          HG22      ILE   4  -8.849 -11.316 -11.316
   92   1HD1  ILE   4          HD11      ILE   4 -12.059 -11.550 -11.550
   93   2HD1  ILE   4          HD13      ILE   4 -12.958 -11.139 -11.139
   94   3HD1  ILE   4          HD12      ILE   4 -12.856  -9.982  -9.982
   95    H    ALA   5            HN      ALA   5 -10.229  -6.797  -6.797
   96    HA   ALA   5            HA      ALA   5  -8.125  -7.206  -7.206
   97   1HB   ALA   5           HB2      ALA   5 -10.758  -5.704  -5.704
   98   2HB   ALA   5           HB1      ALA   5  -9.847  -5.913  -5.913
   99   3HB   ALA   5           HB3      ALA   5  -9.123  -5.053  -5.053
  100    H    LYS   6            HN      LYS   6  -8.102  -9.114  -9.114
  101    HA   LYS   6            HA      LYS   6 -10.381 -10.878 -10.878
  102   1HB   LYS   6           HB2      LYS   6  -7.799 -10.974 -10.974
  103   2HB   LYS   6           HB1      LYS   6  -8.940 -12.301 -12.301
  104   1HG   LYS   6           HG2      LYS   6  -8.475 -12.470 -12.470
  105   2HG   LYS   6           HG1      LYS   6  -7.699 -10.886 -10.886
  106   1HD   LYS   6           HD2      LYS   6  -6.006 -12.647 -12.647
  107   2HD   LYS   6           HD1      LYS   6  -5.882 -11.756 -11.756
  108   1HE   LYS   6           HE2      LYS   6  -6.761 -13.519 -13.519
  109   2HE   LYS   6           HE1      LYS   6  -7.604 -14.215 -14.215
  110   1HZ   LYS   6           HZ3      LYS   6  -5.247 -14.573 -14.573
  111   2HZ   LYS   6           HZ2      LYS   6  -4.743 -14.369 -14.369
  112   3HZ   LYS   6           HZ1      LYS   6  -5.814 -15.624 -15.624
  113    H    TYR   7            HN      TYR   7  -9.154  -8.362  -8.362
  114    HA   TYR   7            HA      TYR   7 -11.424  -8.844  -8.844
  115   1HB   TYR   7           HB2      TYR   7  -8.675  -8.466  -8.466
  116   2HB   TYR   7           HB1      TYR   7 -10.134  -9.049  -9.049
  117    HD1  TYR   7           HD2      TYR   7 -11.058 -11.338 -11.338
  118    HD2  TYR   7           HD1      TYR   7  -7.167  -9.937  -9.937
  119    HE1  TYR   7           HE2      TYR   7 -10.364 -13.669 -13.669
  120    HE2  TYR   7           HE1      TYR   7  -6.461 -12.250 -12.250
  121    HH   TYR   7            HH      TYR   7  -7.290 -14.653 -14.653
  122    H    ASP   8            HN      ASP   8 -10.987  -7.134  -7.134
  123    HA   ASP   8            HA      ASP   8 -11.144  -4.537  -4.537
  124   1HB   ASP   8           HB2      ASP   8 -12.038  -5.756  -5.756
  125   2HB   ASP   8           HB1      ASP   8 -11.203  -4.239  -4.239
  126    H    PHE   9            HN      PHE   9  -9.928  -2.686  -2.686
  127    HA   PHE   9            HA      PHE   9  -7.654  -2.855  -2.855
  128   1HB   PHE   9           HB2      PHE   9  -7.114  -4.204  -4.204
  129   2HB   PHE   9           HB1      PHE   9  -6.399  -2.615  -2.615
  130    HD1  PHE   9           HD1      PHE   9  -6.802  -4.701  -4.701
  131    HD2  PHE   9           HD2      PHE   9  -4.088  -2.779  -2.779
  132    HE1  PHE   9           HE1      PHE   9  -4.892  -5.326  -5.326
  133    HE2  PHE   9           HE2      PHE   9  -2.181  -3.398  -3.398
  134    HZ   PHE   9            HZ      PHE   9  -2.585  -4.672  -4.672
  135    H    LYS  10            HN      LYS  10  -6.077  -0.914  -0.914
  136    HA   LYS  10            HA      LYS  10  -7.428   1.253   1.253
  137   1HB   LYS  10           HB2      LYS  10  -7.434   2.776   2.776
  138   2HB   LYS  10           HB1      LYS  10  -8.286   1.309   1.309
  139   1HG   LYS  10           HG2      LYS  10  -5.675   0.716   0.716
  140   2HG   LYS  10           HG1      LYS  10  -5.781   2.437   2.437
  141   1HD   LYS  10           HD2      LYS  10  -8.111   0.836   0.836
  142   2HD   LYS  10           HD1      LYS  10  -6.599   0.453   0.453
  143   1HE   LYS  10           HE2      LYS  10  -7.168   2.214   2.214
  144   2HE   LYS  10           HE1      LYS  10  -6.498   3.178   3.178
  145   1HZ   LYS  10           HZ1      LYS  10  -9.341   2.353   2.353
  146   2HZ   LYS  10           HZ3      LYS  10  -8.780   3.822   3.822
  147   3HZ   LYS  10           HZ2      LYS  10  -8.636   3.503   3.503
  148    H    ALA  11            HN      ALA  11  -6.028   3.327   3.327
  149    HA   ALA  11            HA      ALA  11  -3.441   2.573   2.573
  150   1HB   ALA  11           HB2      ALA  11  -4.999   4.641   4.641
  151   2HB   ALA  11           HB1      ALA  11  -4.059   5.402   5.402
  152   3HB   ALA  11           HB3      ALA  11  -3.238   4.755   4.755
  153    H    THR  12            HN      THR  12  -1.530   2.557   2.557
  154    HA   THR  12            HA      THR  12  -1.659   3.536   3.536
  155    HB   THR  12            HB      THR  12   0.286   1.833   1.833
  156    HG1  THR  12           HG1      THR  12   0.718   0.685   0.685
  157   1HG2  THR  12          HG21      THR  12  -2.615   1.134   1.134
  158   2HG2  THR  12          HG23      THR  12  -1.451  -0.068  -0.068
  159   3HG2  THR  12          HG22      THR  12  -1.763   1.370   1.370
  160    H    ALA  13            HN      ALA  13  -1.016   5.284   5.284
  161    HA   ALA  13            HA      ALA  13   1.388   6.503   6.503
  162   1HB   ALA  13           HB3      ALA  13   1.698   4.599   4.599
  163   2HB   ALA  13           HB2      ALA  13   2.680   6.065   6.065
  164   3HB   ALA  13           HB1      ALA  13   2.777   4.863   4.863
  165    H    ASP  14            HN      ASP  14   2.167   8.121   8.121
  166    HA   ASP  14            HA      ASP  14  -0.129   9.601   9.601
  167   1HB   ASP  14           HB2      ASP  14   2.128  10.367  10.367
  168   2HB   ASP  14           HB1      ASP  14   2.712  10.218  10.218
  169    H    ASP  15            HN      ASP  15   1.608   7.080   7.080
  170    HA   ASP  15            HA      ASP  15   0.695   7.870   7.870
  171   1HB   ASP  15           HB2      ASP  15   3.321   7.915   7.915
  172   2HB   ASP  15           HB1      ASP  15   3.152   6.250   6.250
  173    H    GLU  16            HN      GLU  16  -0.441   6.085   6.085
  174    HA   GLU  16            HA      GLU  16  -0.183   3.467   3.467
  175   1HB   GLU  16           HB2      GLU  16   0.246   3.730   3.730
  176   2HB   GLU  16           HB1      GLU  16  -1.499   3.901   3.901
  177   1HG   GLU  16           HG2      GLU  16  -1.862   1.700   1.700
  178   2HG   GLU  16           HG1      GLU  16  -0.719   1.646   1.646
  179    H    LEU  17            HN      LEU  17  -2.381   2.226   2.226
  180    HA   LEU  17            HA      LEU  17  -4.565   4.131   4.131
  181   1HB   LEU  17           HB2      LEU  17  -3.600   3.223   3.223
  182   2HB   LEU  17           HB1      LEU  17  -3.789   1.590   1.590
  183    HG   LEU  17            HG      LEU  17  -6.270   1.985   1.985
  184   1HD1  LEU  17          HD11      LEU  17  -5.331   4.620   4.620
  185   2HD1  LEU  17          HD13      LEU  17  -6.824   3.979   3.979
  186   3HD1  LEU  17          HD12      LEU  17  -6.693   4.243   4.243
  187   1HD2  LEU  17          HD23      LEU  17  -4.834   1.051   1.051
  188   2HD2  LEU  17          HD22      LEU  17  -6.561   1.368   1.368
  189   3HD2  LEU  17          HD21      LEU  17  -5.383   2.540   2.540
  190    H    SER  18            HN      SER  18  -6.616   3.602   3.602
  191    HA   SER  18            HA      SER  18  -6.826   1.397   1.397
  192   1HB   SER  18           HB2      SER  18  -8.882   3.402   3.402
  193   2HB   SER  18           HB1      SER  18  -8.544   2.580   2.580
  194    HG   SER  18            HG      SER  18  -7.649   4.539   4.539
  195    H    PHE  19            HN      PHE  19  -8.915   0.164   0.164
  196    HA   PHE  19            HA      PHE  19 -10.686   0.136   0.136
  197   1HB   PHE  19           HB2      PHE  19  -9.939  -1.886  -1.886
  198   2HB   PHE  19           HB1      PHE  19  -8.693  -0.644  -0.644
  199    HD1  PHE  19           HD1      PHE  19  -9.746  -3.725  -3.725
  200    HD2  PHE  19           HD2      PHE  19  -6.524  -1.036  -1.036
  201    HE1  PHE  19           HE1      PHE  19  -8.130  -5.305  -5.305
  202    HE2  PHE  19           HE2      PHE  19  -4.911  -2.614  -2.614
  203    HZ   PHE  19            HZ      PHE  19  -5.715  -4.749  -4.749
  204    H    LYS  20            HN      LYS  20 -12.121  -1.823  -1.823
  205    HA   LYS  20            HA      LYS  20 -12.190  -2.950  -2.950
  206   1HB   LYS  20           HB2      LYS  20 -14.497  -2.597  -2.597
  207   2HB   LYS  20           HB1      LYS  20 -14.595  -3.024  -3.024
  208   1HG   LYS  20           HG2      LYS  20 -13.080  -0.591  -0.591
  209   2HG   LYS  20           HG1      LYS  20 -14.596  -0.423  -0.423
  210   1HD   LYS  20           HD2      LYS  20 -14.603  -1.581  -1.581
  211   2HD   LYS  20           HD1      LYS  20 -14.529   0.168   0.168
  212   1HE   LYS  20           HE2      LYS  20 -16.811  -0.039  -0.039
  213   2HE   LYS  20           HE1      LYS  20 -16.524  -0.411  -0.411
  214   1HZ   LYS  20           HZ3      LYS  20 -16.516  -2.504  -2.504
  215   2HZ   LYS  20           HZ2      LYS  20 -17.945  -2.027  -2.027
  216   3HZ   LYS  20           HZ1      LYS  20 -16.660  -2.694  -2.694
  217    H    ARG  21            HN      ARG  21 -13.737  -4.986  -4.986
  218    HA   ARG  21            HA      ARG  21 -12.332  -7.014  -7.014
  219   1HB   ARG  21           HB2      ARG  21 -13.451  -7.266  -7.266
  220   2HB   ARG  21           HB1      ARG  21 -15.001  -7.213  -7.213
  221   1HG   ARG  21           HG2      ARG  21 -14.679  -9.267  -9.267
  222   2HG   ARG  21           HG1      ARG  21 -12.919  -9.129  -9.129
  223   1HD   ARG  21           HD2      ARG  21 -13.042  -9.295  -9.295
  224   2HD   ARG  21           HD1      ARG  21 -14.762  -9.640  -9.640
  225    HE   ARG  21            HE      ARG  21 -12.619 -11.410 -11.410
  226   1HH1  ARG  21          HH11      ARG  21 -14.911 -11.294 -11.294
  227   2HH1  ARG  21          HH12      ARG  21 -15.752 -12.735 -12.735
  228   1HH2  ARG  21          HH21      ARG  21 -14.062 -13.069 -13.069
  229   2HH2  ARG  21          HH22      ARG  21 -15.271 -13.741 -13.741
  230    H    GLY  22            HN      GLY  22 -12.611  -7.123  -7.123
  231   1HA   GLY  22           HA2      GLY  22 -14.042  -7.945  -7.945
  232   2HA   GLY  22           HA1      GLY  22 -15.406  -7.143  -7.143
  233    H    ASP  23            HN      ASP  23 -12.819  -5.032  -5.032
  234    HA   ASP  23            HA      ASP  23 -13.821  -3.421  -3.421
  235   1HB   ASP  23           HB2      ASP  23 -12.303  -3.069  -3.069
  236   2HB   ASP  23           HB1      ASP  23 -11.798  -2.044  -2.044
  237    H    ILE  24            HN      ILE  24 -12.960  -4.540  -4.540
  238    HA   ILE  24            HA      ILE  24 -10.191  -5.309  -5.309
  239    HB   ILE  24            HB      ILE  24 -11.857  -4.690  -4.690
  240   1HG1  ILE  24          HG12      ILE  24 -12.099  -6.998  -6.998
  241   2HG1  ILE  24          HG11      ILE  24 -13.389  -6.004  -6.004
  242   1HG2  ILE  24          HG21      ILE  24  -9.300  -5.495  -5.495
  243   2HG2  ILE  24          HG23      ILE  24 -10.078  -7.070  -7.070
  244   3HG2  ILE  24          HG22      ILE  24 -10.318  -6.047  -6.047
  245   1HD1  ILE  24          HD11      ILE  24 -12.585  -7.015  -7.015
  246   2HD1  ILE  24          HD13      ILE  24 -11.898  -8.274  -8.274
  247   3HD1  ILE  24          HD12      ILE  24 -13.634  -7.960  -7.960
  248    H    LEU  25            HN      LEU  25  -8.449  -4.133  -4.133
  249    HA   LEU  25            HA      LEU  25  -8.812  -1.233  -1.233
  250   1HB   LEU  25           HB2      LEU  25  -6.296  -2.780  -2.780
  251   2HB   LEU  25           HB1      LEU  25  -6.518  -1.031  -1.031
  252    HG   LEU  25            HG      LEU  25  -8.557  -1.708  -1.708
  253   1HD1  LEU  25          HD13      LEU  25  -6.799  -4.133  -4.133
  254   2HD1  LEU  25          HD12      LEU  25  -7.540  -3.682  -3.682
  255   3HD1  LEU  25          HD11      LEU  25  -8.552  -4.033  -4.033
  256   1HD2  LEU  25          HD22      LEU  25  -6.130  -0.594  -0.594
  257   2HD2  LEU  25          HD21      LEU  25  -7.258  -0.931  -0.931
  258   3HD2  LEU  25          HD23      LEU  25  -5.945  -2.057  -2.057
  259    H    LYS  26            HN      LYS  26  -7.230  -0.127  -0.127
  260    HA   LYS  26            HA      LYS  26  -6.932  -1.806  -1.806
  261   1HB   LYS  26           HB2      LYS  26  -7.029   1.197   1.197
  262   2HB   LYS  26           HB1      LYS  26  -6.691   0.439   0.439
  263   1HG   LYS  26           HG2      LYS  26  -9.099  -0.573  -0.573
  264   2HG   LYS  26           HG1      LYS  26  -9.197   1.098   1.098
  265   1HD   LYS  26           HD2      LYS  26  -8.083  -0.095  -0.095
  266   2HD   LYS  26           HD1      LYS  26  -9.081  -1.413  -1.413
  267   1HE   LYS  26           HE2      LYS  26 -10.705  -0.357  -0.357
  268   2HE   LYS  26           HE1      LYS  26 -10.845   0.623   0.623
  269   1HZ   LYS  26           HZ2      LYS  26  -9.156   1.261   1.261
  270   2HZ   LYS  26           HZ1      LYS  26 -10.636   2.001   2.001
  271   3HZ   LYS  26           HZ3      LYS  26  -9.295   2.208   2.208
  272    H    VAL  27            HN      VAL  27  -4.885  -2.771  -2.771
  273    HA   VAL  27            HA      VAL  27  -2.639  -1.485  -1.485
  274    HB   VAL  27            HB      VAL  27  -2.655  -3.725  -3.725
  275   1HG1  VAL  27          HG12      VAL  27  -0.524  -2.332  -2.332
  276   2HG1  VAL  27          HG11      VAL  27  -0.529  -4.068  -4.068
  277   3HG1  VAL  27          HG13      VAL  27  -0.400  -3.476  -3.476
  278   1HG2  VAL  27          HG23      VAL  27  -3.924  -3.765  -3.765
  279   2HG2  VAL  27          HG22      VAL  27  -3.129  -5.185  -5.185
  280   3HG2  VAL  27          HG21      VAL  27  -2.298  -4.201  -4.201
  281    H    LEU  28            HN      LEU  28  -2.007   0.449   0.449
  282    HA   LEU  28            HA      LEU  28  -1.819   1.005   1.005
  283   1HB   LEU  28           HB2      LEU  28  -0.528   2.847   2.847
  284   2HB   LEU  28           HB1      LEU  28  -1.484   3.235   3.235
  285    HG   LEU  28            HG      LEU  28  -3.249   1.962   1.962
  286   1HD1  LEU  28          HD12      LEU  28  -1.440   4.033   4.033
  287   2HD1  LEU  28          HD11      LEU  28  -3.024   3.633   3.633
  288   3HD1  LEU  28          HD13      LEU  28  -1.765   2.400   2.400
  289   1HD2  LEU  28          HD23      LEU  28  -3.224   4.164   4.164
  290   2HD2  LEU  28          HD22      LEU  28  -4.557   3.704   3.704
  291   3HD2  LEU  28          HD21      LEU  28  -3.375   4.894   4.894
  292    H    ASN  29            HN      ASN  29   0.207  -0.056  -0.056
  293    HA   ASN  29            HA      ASN  29   2.443  -0.382  -0.382
  294   1HB   ASN  29           HB2      ASN  29   2.568   1.878   1.878
  295   2HB   ASN  29           HB1      ASN  29   3.081   0.857   0.857
  296   1HD2  ASN  29          HD22      ASN  29   6.366   1.082   1.082
  297   2HD2  ASN  29          HD21      ASN  29   5.321   1.376   1.376
  298    H    GLU  30            HN      GLU  30   3.873  -2.028  -2.028
  299    HA   GLU  30            HA      GLU  30   3.068  -3.770  -3.770
  300   1HB   GLU  30           HB2      GLU  30   4.345  -5.541  -5.541
  301   2HB   GLU  30           HB1      GLU  30   2.953  -4.923  -4.923
  302   1HG   GLU  30           HG2      GLU  30   4.247  -3.852  -3.852
  303   2HG   GLU  30           HG1      GLU  30   5.521  -3.499  -3.499
  304    H    GLU  31            HN      GLU  31   5.261  -5.202  -5.202
  305    HA   GLU  31            HA      GLU  31   7.401  -5.137  -5.137
  306   1HB   GLU  31           HB2      GLU  31   7.824  -2.420  -2.420
  307   2HB   GLU  31           HB1      GLU  31   9.044  -3.594  -3.594
  308   1HG   GLU  31           HG2      GLU  31   7.687  -5.118  -5.118
  309   2HG   GLU  31           HG1      GLU  31   7.342  -3.535  -3.535
  310    H    CYS  32            HN      CYS  32   8.724  -2.971  -2.971
  311    HA   CYS  32            HA      CYS  32   8.614  -1.316  -1.316
  312   1HB   CYS  32           HB2      CYS  32   5.613  -1.710  -1.710
  313   2HB   CYS  32           HB1      CYS  32   6.562  -0.346  -0.346
  314    HG   CYS  32            HG      CYS  32   6.937   0.416   0.416
  315    H    ASP  33            HN      ASP  33   7.047  -1.462  -1.462
  316    HA   ASP  33            HA      ASP  33   8.287  -2.866  -2.866
  317   1HB   ASP  33           HB2      ASP  33   5.979  -1.589  -1.589
  318   2HB   ASP  33           HB1      ASP  33   5.357  -3.210  -3.210
  319    H    GLN  34            HN      GLN  34   8.172  -4.809  -4.809
  320    HA   GLN  34            HA      GLN  34   8.199  -7.089  -7.089
  321   1HB   GLN  34           HB2      GLN  34   8.392  -6.537  -6.537
  322   2HB   GLN  34           HB1      GLN  34   7.819  -8.153  -8.153
  323   1HG   GLN  34           HG2      GLN  34   9.805  -8.754  -8.754
  324   2HG   GLN  34           HG1      GLN  34  10.184  -7.096  -7.096
  325   1HE2  GLN  34          HE22      GLN  34  12.519  -7.157  -7.157
  326   2HE2  GLN  34          HE21      GLN  34  12.313  -7.120  -7.120
  327    H    ASN  35            HN      ASN  35   6.339  -7.502  -7.502
  328    HA   ASN  35            HA      ASN  35   4.307  -8.481  -8.481
  329   1HB   ASN  35           HB2      ASN  35   4.565  -8.937  -8.937
  330   2HB   ASN  35           HB1      ASN  35   2.963  -9.080  -9.080
  331   1HD2  ASN  35          HD22      ASN  35   5.821 -11.857 -11.857
  332   2HD2  ASN  35          HD21      ASN  35   6.217 -10.462 -10.462
  333    H    TRP  36            HN      TRP  36   4.534  -5.402  -5.402
  334    HA   TRP  36            HA      TRP  36   1.532  -5.156  -5.156
  335   1HB   TRP  36           HB2      TRP  36   3.471  -2.944  -2.944
  336   2HB   TRP  36           HB1      TRP  36   1.712  -2.896  -2.896
  337    HD1  TRP  36           HD1      TRP  36   4.297  -5.541  -5.541
  338    HE1  TRP  36           HE1      TRP  36   3.885  -6.033  -6.033
  339    HE3  TRP  36           HE3      TRP  36   0.432  -2.268  -2.268
  340    HZ2  TRP  36           HZ2      TRP  36   2.226  -5.163  -5.163
  341    HZ3  TRP  36           HZ3      TRP  36  -0.472  -2.109  -2.109
  342    HH2  TRP  36           HH2      TRP  36   0.405  -3.552  -3.552
  343    H    TYR  37            HN      TYR  37   0.541  -4.302  -4.302
  344    HA   TYR  37            HA      TYR  37   2.067  -3.576  -3.576
  345   1HB   TYR  37           HB2      TYR  37  -0.901  -3.787  -3.787
  346   2HB   TYR  37           HB1      TYR  37  -0.231  -3.377  -3.377
  347    HD1  TYR  37           HD2      TYR  37   2.077  -5.238  -5.238
  348    HD2  TYR  37           HD1      TYR  37  -1.902  -5.843  -5.843
  349    HE1  TYR  37           HE2      TYR  37   2.229  -7.650  -7.650
  350    HE2  TYR  37           HE1      TYR  37  -1.771  -8.243  -8.243
  351    HH   TYR  37            HH      TYR  37   0.775  -9.519  -9.519
  352    H    LYS  38            HN      LYS  38   0.896  -1.768  -1.768
  353    HA   LYS  38            HA      LYS  38   0.307   0.592   0.592
  354   1HB   LYS  38           HB2      LYS  38   2.514   0.714   0.714
  355   2HB   LYS  38           HB1      LYS  38   1.509   0.706   0.706
  356   1HG   LYS  38           HG2      LYS  38   0.286   2.598   2.598
  357   2HG   LYS  38           HG1      LYS  38   2.008   2.867   2.867
  358   1HD   LYS  38           HD2      LYS  38   1.670   2.470   2.470
  359   2HD   LYS  38           HD1      LYS  38   0.386   3.563   3.563
  360   1HE   LYS  38           HE2      LYS  38   2.127   4.931   4.931
  361   2HE   LYS  38           HE1      LYS  38   3.355   3.910   3.910
  362   1HZ   LYS  38           HZ1      LYS  38   2.218   4.514   4.514
  363   2HZ   LYS  38           HZ3      LYS  38   1.451   5.753   5.753
  364   3HZ   LYS  38           HZ2      LYS  38   3.145   5.725   5.725
  365    H    ALA  39            HN      ALA  39  -1.837   1.174   1.174
  366    HA   ALA  39            HA      ALA  39  -3.003   0.739   0.739
  367   1HB   ALA  39           HB2      ALA  39  -3.212  -1.413  -1.413
  368   2HB   ALA  39           HB1      ALA  39  -4.108  -0.596  -0.596
  369   3HB   ALA  39           HB3      ALA  39  -4.782  -0.682  -0.682
  370    H    GLU  40            HN      GLU  40  -5.542   1.065   1.065
  371    HA   GLU  40            HA      GLU  40  -5.943   3.384   3.384
  372   1HB   GLU  40           HB2      GLU  40  -5.596   4.905   4.905
  373   2HB   GLU  40           HB1      GLU  40  -4.941   3.617   3.617
  374   1HG   GLU  40           HG2      GLU  40  -7.113   3.306   3.306
  375   2HG   GLU  40           HG1      GLU  40  -7.884   4.417   4.417
  376    H    LEU  41            HN      LEU  41  -7.870   3.557   3.557
  377    HA   LEU  41            HA      LEU  41  -9.996   1.839   1.839
  378   1HB   LEU  41           HB2      LEU  41  -9.449   2.883   2.883
  379   2HB   LEU  41           HB1      LEU  41 -11.142   2.653   2.653
  380    HG   LEU  41            HG      LEU  41  -9.134   0.532   0.532
  381   1HD1  LEU  41          HD11      LEU  41  -9.408   1.449   1.449
  382   2HD1  LEU  41          HD13      LEU  41 -10.704   0.252   0.252
  383   3HD1  LEU  41          HD12      LEU  41  -9.042  -0.228  -0.228
  384   1HD2  LEU  41          HD23      LEU  41 -11.485   0.596   0.596
  385   2HD2  LEU  41          HD22      LEU  41 -11.094  -0.862  -0.862
  386   3HD2  LEU  41          HD21      LEU  41 -12.062   0.418   0.418
  387    H    ASN  42            HN      ASN  42 -10.778   2.862   2.862
  388    HA   ASN  42            HA      ASN  42 -11.921   4.495   4.495
  389   1HB   ASN  42           HB2      ASN  42 -13.248   4.048   4.048
  390   2HB   ASN  42           HB1      ASN  42 -13.848   5.380   5.380
  391   1HD2  ASN  42          HD22      ASN  42 -15.343   1.924   1.924
  392   2HD2  ASN  42          HD21      ASN  42 -14.988   2.562   2.562
  393    H    GLY  43            HN      GLY  43  -9.663   5.721   5.721
  394   1HA   GLY  43           HA2      GLY  43  -9.622   8.322   8.322
  395   2HA   GLY  43           HA1      GLY  43 -10.769   8.383   8.383
  396    H    LYS  44            HN      LYS  44  -9.449   6.380   6.380
  397    HA   LYS  44            HA      LYS  44  -7.259   8.009   8.009
  398   1HB   LYS  44           HB2      LYS  44  -8.964   5.816   5.816
  399   2HB   LYS  44           HB1      LYS  44  -7.339   6.057   6.057
  400   1HG   LYS  44           HG2      LYS  44  -7.770   8.266   8.266
  401   2HG   LYS  44           HG1      LYS  44  -9.243   8.357   8.357
  402   1HD   LYS  44           HD2      LYS  44  -9.787   8.074   8.074
  403   2HD   LYS  44           HD1      LYS  44 -10.313   6.673   6.673
  404   1HE   LYS  44           HE2      LYS  44  -8.431   5.378   5.378
  405   2HE   LYS  44           HE1      LYS  44  -7.640   6.791   6.791
  406   1HZ   LYS  44           HZ2      LYS  44 -10.284   5.856   5.856
  407   2HZ   LYS  44           HZ1      LYS  44  -8.836   5.261   5.261
  408   3HZ   LYS  44           HZ3      LYS  44  -9.202   6.909   6.909
  409    H    ASP  45            HN      ASP  45  -5.405   6.621   6.621
  410    HA   ASP  45            HA      ASP  45  -4.825   4.247   4.247
  411   1HB   ASP  45           HB2      ASP  45  -3.634   4.960   4.960
  412   2HB   ASP  45           HB1      ASP  45  -4.690   6.343   6.343
  413    H    GLY  46            HN      GLY  46  -2.265   3.874   3.874
  414   1HA   GLY  46           HA2      GLY  46  -0.258   4.640   4.640
  415   2HA   GLY  46           HA1      GLY  46  -1.341   4.642   4.642
  416    H    PHE  47            HN      PHE  47   0.703   3.183   3.183
  417    HA   PHE  47            HA      PHE  47   0.968   0.570   0.570
  418   1HB   PHE  47           HB2      PHE  47   1.657   1.845   1.845
  419   2HB   PHE  47           HB1      PHE  47   1.889   0.113   0.113
  420    HD1  PHE  47           HD2      PHE  47   2.346   2.909   2.909
  421    HD2  PHE  47           HD1      PHE  47   4.212  -0.184  -0.184
  422    HE1  PHE  47           HE2      PHE  47   4.490   3.333   3.333
  423    HE2  PHE  47           HE1      PHE  47   6.357   0.252   0.252
  424    HZ   PHE  47            HZ      PHE  47   6.498   2.006   2.006
  425    H    ILE  48            HN      ILE  48   0.290  -1.544  -1.544
  426    HA   ILE  48            HA      ILE  48  -1.890  -1.484  -1.484
  427    HB   ILE  48            HB      ILE  48  -3.353  -2.881  -2.881
  428   1HG1  ILE  48          HG12      ILE  48  -1.630  -1.628  -1.628
  429   2HG1  ILE  48          HG11      ILE  48  -1.435  -3.296  -3.296
  430   1HG2  ILE  48          HG23      ILE  48  -3.802  -0.506  -0.506
  431   2HG2  ILE  48          HG22      ILE  48  -2.789  -0.024  -0.024
  432   3HG2  ILE  48          HG21      ILE  48  -4.282  -0.913  -0.913
  433   1HD1  ILE  48          HD12      ILE  48  -4.213  -2.910  -2.910
  434   2HD1  ILE  48          HD11      ILE  48  -3.355  -2.227  -2.227
  435   3HD1  ILE  48          HD13      ILE  48  -3.090  -3.908  -3.908
  436    HA   PRO  49            HA      PRO  49   0.346  -5.266  -5.266
  437   1HB   PRO  49           HB2      PRO  49  -1.361  -6.379  -6.379
  438   2HB   PRO  49           HB1      PRO  49  -0.139  -5.171  -5.171
  439   1HG   PRO  49           HG2      PRO  49  -3.099  -4.823  -4.823
  440   2HG   PRO  49           HG1      PRO  49  -1.960  -3.902  -3.902
  441   1HD   PRO  49           HD2      PRO  49  -2.976  -3.003  -3.003
  442   2HD   PRO  49           HD1      PRO  49  -1.537  -2.382  -2.382
  443    H    LYS  50            HN      LYS  50   0.265  -6.657  -6.657
  444    HA   LYS  50            HA      LYS  50  -2.012  -7.575  -7.575
  445   1HB   LYS  50           HB2      LYS  50   0.318  -7.680  -7.680
  446   2HB   LYS  50           HB1      LYS  50   0.648  -8.921  -8.921
  447   1HG   LYS  50           HG2      LYS  50  -1.153 -10.311 -10.311
  448   2HG   LYS  50           HG1      LYS  50  -1.190  -9.115  -9.115
  449   1HD   LYS  50           HD2      LYS  50   0.938  -9.651  -9.651
  450   2HD   LYS  50           HD1      LYS  50   1.488 -10.155 -10.155
  451   1HE   LYS  50           HE2      LYS  50  -0.689 -11.774 -11.774
  452   2HE   LYS  50           HE1      LYS  50   0.918 -11.921 -11.921
  453   1HZ   LYS  50           HZ2      LYS  50   1.785 -12.362 -12.362
  454   2HZ   LYS  50           HZ1      LYS  50   0.197 -12.344 -12.344
  455   3HZ   LYS  50           HZ3      LYS  50   0.666 -13.534 -13.534
  456    H    ASN  51            HN      ASN  51  -0.840  -8.578  -8.578
  457    HA   ASN  51            HA      ASN  51  -1.767 -11.190 -11.190
  458   1HB   ASN  51           HB2      ASN  51  -1.031  -9.154  -9.154
  459   2HB   ASN  51           HB1      ASN  51  -1.947 -10.493 -10.493
  460   1HD2  ASN  51          HD22      ASN  51   1.960 -10.980 -10.980
  461   2HD2  ASN  51          HD21      ASN  51   1.196  -9.467  -9.467
  462    H    TYR  52            HN      TYR  52  -3.302  -8.143  -8.143
  463    HA   TYR  52            HA      TYR  52  -5.909  -9.346  -9.346
  464   1HB   TYR  52           HB2      TYR  52  -4.806  -6.538  -6.538
  465   2HB   TYR  52           HB1      TYR  52  -6.531  -6.821  -6.821
  466    HD1  TYR  52           HD2      TYR  52  -3.359  -7.915  -7.915
  467    HD2  TYR  52           HD1      TYR  52  -7.499  -6.882  -6.882
  468    HE1  TYR  52           HE2      TYR  52  -3.226  -8.092  -8.092
  469    HE2  TYR  52           HE1      TYR  52  -7.353  -7.026  -7.026
  470    HH   TYR  52            HH      TYR  52  -5.988  -8.125  -8.125
  471    H    ILE  53            HN      ILE  53  -4.606  -9.719  -9.719
  472    HA   ILE  53            HA      ILE  53  -6.745  -8.827  -8.827
  473    HB   ILE  53            HB      ILE  53  -4.278  -8.086  -8.086
  474   1HG1  ILE  53          HG12      ILE  53  -5.162  -6.357  -6.357
  475   2HG1  ILE  53          HG11      ILE  53  -3.731  -7.377  -7.377
  476   1HG2  ILE  53          HG23      ILE  53  -6.666  -7.591  -7.591
  477   2HG2  ILE  53          HG22      ILE  53  -6.649  -6.337  -6.337
  478   3HG2  ILE  53          HG21      ILE  53  -5.511  -6.277  -6.277
  479   1HD1  ILE  53          HD12      ILE  53  -3.292  -6.094  -6.094
  480   2HD1  ILE  53          HD11      ILE  53  -4.261  -4.865  -4.865
  481   3HD1  ILE  53          HD13      ILE  53  -2.765  -5.435  -5.435
  482    H    GLU  54            HN      GLU  54  -6.166  -9.413  -9.413
  483    HA   GLU  54            HA      GLU  54  -4.376 -11.599 -11.599
  484   1HB   GLU  54           HB2      GLU  54  -7.201 -12.003 -12.003
  485   2HB   GLU  54           HB1      GLU  54  -6.670 -12.454 -12.454
  486   1HG   GLU  54           HG2      GLU  54  -5.094 -14.028 -14.028
  487   2HG   GLU  54           HG1      GLU  54  -5.251 -13.398 -13.398
  488    H    MET  55            HN      MET  55  -4.032 -11.949 -11.949
  489    HA   MET  55            HA      MET  55  -4.365  -9.376  -9.376
  490   1HB   MET  55           HB2      MET  55  -2.160 -10.722 -10.722
  491   2HB   MET  55           HB1      MET  55  -2.803 -11.710 -11.710
  492   1HG   MET  55           HG2      MET  55  -3.232  -9.444  -9.444
  493   2HG   MET  55           HG1      MET  55  -2.093  -8.784  -8.784
  494   1HE   MET  55           HE3      MET  55  -3.026 -11.333 -11.333
  495   2HE   MET  55           HE2      MET  55  -1.734 -11.375 -11.375
  496   3HE   MET  55           HE1      MET  55  -1.708 -12.506 -12.506
  497    H    LYS  56            HN      LYS  56  -6.218  -9.200  -9.200
  498    HA   LYS  56            HA      LYS  56  -7.121 -11.499 -11.499
  499   1HB   LYS  56           HB2      LYS  56  -8.414  -9.104  -9.104
  500   2HB   LYS  56           HB1      LYS  56  -9.045  -9.767  -9.767
  501   1HG   LYS  56           HG2      LYS  56  -9.414 -11.910 -11.910
  502   2HG   LYS  56           HG1      LYS  56  -8.490 -11.456 -11.456
  503   1HD   LYS  56           HD2      LYS  56 -10.941 -11.370 -11.370
  504   2HD   LYS  56           HD1      LYS  56 -10.190  -9.785  -9.785
  505   1HE   LYS  56           HE2      LYS  56 -11.050  -9.019  -9.019
  506   2HE   LYS  56           HE1      LYS  56 -11.394 -10.653 -10.653
  507   1HZ   LYS  56           HZ3      LYS  56 -12.748  -9.851  -9.851
  508   2HZ   LYS  56           HZ2      LYS  56 -13.242  -9.046  -9.046
  509   3HZ   LYS  56           HZ1      LYS  56 -13.329 -10.739 -10.739
  510    HA   PRO  57            HA      PRO  57  -5.751  -9.720  -9.720
  511   1HB   PRO  57           HB2      PRO  57  -7.133 -11.228 -11.228
  512   2HB   PRO  57           HB1      PRO  57  -5.693 -11.790 -11.790
  513   1HG   PRO  57           HG2      PRO  57  -8.537 -12.451 -12.451
  514   2HG   PRO  57           HG1      PRO  57  -7.098 -13.386 -13.386
  515   1HD   PRO  57           HD2      PRO  57  -8.615 -11.899 -11.899
  516   2HD   PRO  57           HD1      PRO  57  -6.998 -12.583 -12.583
  517    H    HIS  58            HN      HIS  58  -7.084  -9.347  -9.347
  518    HA   HIS  58            HA      HIS  58  -9.646  -7.985  -7.985
  519   1HB   HIS  58           HB2      HIS  58  -7.091  -6.646  -6.646
  520   2HB   HIS  58           HB1      HIS  58  -8.389  -6.175  -6.175
  521    HD1  HIS  58           HD1      HIS  58 -10.757  -6.367  -6.367
  522    HD2  HIS  58           HD2      HIS  58  -7.149  -4.432  -4.432
  523    HE1  HIS  58           HE1      HIS  58 -11.232  -4.674  -4.674
  524    HA   PRO  59            HA      PRO  59 -10.258  -9.981  -9.981
  525   1HB   PRO  59           HB2      PRO  59 -12.818  -9.109  -9.109
  526   2HB   PRO  59           HB1      PRO  59 -12.431 -10.427 -10.427
  527   1HG   PRO  59           HG2      PRO  59 -13.271  -7.630  -7.630
  528   2HG   PRO  59           HG1      PRO  59 -13.452  -9.096  -9.096
  529   1HD   PRO  59           HD2      PRO  59 -11.485  -7.077  -7.077
  530   2HD   PRO  59           HD1      PRO  59 -11.502  -8.676  -8.676
  531    H    GLU  60            HN      GLU  60 -12.229  -7.035  -7.035
  532    HA   GLU  60            HA      GLU  60 -10.218  -5.746  -5.746
  533   1HB   GLU  60           HB2      GLU  60 -12.821  -6.835  -6.835
  534   2HB   GLU  60           HB1      GLU  60 -11.807  -5.662  -5.662
  535   1HG   GLU  60           HG2      GLU  60  -9.895  -7.302  -7.302
  536   2HG   GLU  60           HG1      GLU  60 -11.058  -8.483  -8.483
  537    H    PHE  61            HN      PHE  61 -13.729  -5.759  -5.759
  538    HA   PHE  61            HA      PHE  61 -13.680  -3.244  -3.244
  539   1HB   PHE  61           HB2      PHE  61 -13.373  -2.843  -2.843
  540   2HB   PHE  61           HB1      PHE  61 -15.132  -2.814  -2.814
  541    HD1  PHE  61           HD1      PHE  61 -12.013  -1.342  -1.342
  542    HD2  PHE  61           HD2      PHE  61 -16.255  -0.931  -0.931
  543    HE1  PHE  61           HE1      PHE  61 -11.906   0.955   0.955
  544    HE2  PHE  61           HE2      PHE  61 -16.148   1.367   1.367
  545    HZ   PHE  61            HZ      PHE  61 -13.974   2.310   2.310
  546    H    ILE  62            HN      ILE  62 -15.593  -3.050  -3.050
  547    HA   ILE  62            HA      ILE  62 -17.496  -5.191  -5.191
  548    HB   ILE  62            HB      ILE  62 -18.851  -3.685  -3.685
  549   1HG1  ILE  62          HG12      ILE  62 -16.558  -1.750  -1.750
  550   2HG1  ILE  62          HG11      ILE  62 -17.815  -1.614  -1.614
  551   1HG2  ILE  62          HG23      ILE  62 -15.891  -4.036  -4.036
  552   2HG2  ILE  62          HG22      ILE  62 -17.048  -3.524  -3.524
  553   3HG2  ILE  62          HG21      ILE  62 -17.202  -5.113  -5.113
  554   1HD1  ILE  62          HD13      ILE  62 -19.517  -1.619  -1.619
  555   2HD1  ILE  62          HD12      ILE  62 -18.171  -1.495  -1.495
  556   3HD1  ILE  62          HD11      ILE  62 -18.466  -0.203  -0.203
  557    H    VAL  63            HN      VAL  63 -19.616  -5.257  -5.257
  558    HA   VAL  63            HA      VAL  63 -20.186  -3.225  -3.225
  559    HB   VAL  63            HB      VAL  63 -21.259  -6.052  -6.052
  560   1HG1  VAL  63          HG12      VAL  63 -21.482  -3.832  -3.832
  561   2HG1  VAL  63          HG11      VAL  63 -21.612  -5.514  -5.514
  562   3HG1  VAL  63          HG13      VAL  63 -22.753  -4.862  -4.862
  563   1HG2  VAL  63          HG23      VAL  63 -18.832  -4.893  -4.893
  564   2HG2  VAL  63          HG22      VAL  63 -18.983  -6.396  -6.396
  565   3HG2  VAL  63          HG21      VAL  63 -19.655  -6.279  -6.279
  566    H    THR  64            HN      THR  64 -22.244  -2.269  -2.269
  567    HA   THR  64            HA      THR  64 -24.242  -3.089  -3.089
  568    HB   THR  64            HB      THR  64 -24.485  -0.556  -0.556
  569    HG1  THR  64           HG1      THR  64 -22.416   0.490   0.490
  570   1HG2  THR  64          HG23      THR  64 -23.541  -2.441  -2.441
  571   2HG2  THR  64          HG22      THR  64 -21.948  -1.852  -1.852
  572   3HG2  THR  64          HG21      THR  64 -23.054  -0.795  -0.795
  573    H    ASP  65            HN      ASP  65 -26.383  -2.252  -2.252
  574    HA   ASP  65            HA      ASP  65 -28.129  -1.686  -1.686
  575   1HB   ASP  65           HB2      ASP  65 -26.756   0.502   0.502
  576   2HB   ASP  65           HB1      ASP  65 -26.133  -0.015  -0.015
  577   1H    SER   1           HT3      SER   1 -13.258 -20.314 -20.314
  578   2H    SER   1           HT2      SER   1 -14.235 -18.932 -18.932
  579   3H    SER   1           HT1      SER   1 -14.820 -20.317 -20.317
  580    HA   SER   1            HA      SER   1 -13.237 -20.063 -20.063
  581   1HB   SER   1           HB2      SER   1 -15.241 -18.881 -18.881
  582   2HB   SER   1           HB1      SER   1 -14.888 -17.650 -17.650
  583    HG   SER   1            HG      SER   1 -14.495 -17.009 -17.009
  584    HA   PRO   2            HA      PRO   2  -9.506 -17.927 -17.927
  585   1HB   PRO   2           HB2      PRO   2  -8.403 -17.650 -17.650
  586   2HB   PRO   2           HB1      PRO   2  -8.437 -19.182 -19.182
  587   1HG   PRO   2           HG2      PRO   2 -10.070 -18.352 -18.352
  588   2HG   PRO   2           HG1      PRO   2  -9.648 -19.982 -19.982
  589   1HD   PRO   2           HD2      PRO   2 -12.140 -18.657 -18.657
  590   2HD   PRO   2           HD1      PRO   2 -11.621 -20.182 -20.182
  591    H    LEU   3            HN      LEU   3  -8.446 -15.819 -15.819
  592    HA   LEU   3            HA      LEU   3  -9.976 -13.783 -13.783
  593   1HB   LEU   3           HB2      LEU   3  -9.675 -12.222 -12.222
  594   2HB   LEU   3           HB1      LEU   3 -10.871 -13.501 -13.501
  595    HG   LEU   3            HG      LEU   3  -8.933 -14.875 -14.875
  596   1HD1  LEU   3          HD13      LEU   3  -7.782 -12.107 -12.107
  597   2HD1  LEU   3          HD12      LEU   3  -7.362 -13.146 -13.146
  598   3HD1  LEU   3          HD11      LEU   3  -6.993 -13.657 -13.657
  599   1HD2  LEU   3          HD22      LEU   3 -10.930 -13.439 -13.439
  600   2HD2  LEU   3          HD21      LEU   3  -9.720 -14.247 -14.247
  601   3HD2  LEU   3          HD23      LEU   3  -9.567 -12.525 -12.525
  602    H    LEU   4            HN      LEU   4  -8.631 -11.587 -11.587
  603    HA   LEU   4            HA      LEU   4  -5.712 -12.164 -12.164
  604   1HB   LEU   4           HB2      LEU   4  -5.554 -10.827 -10.827
  605   2HB   LEU   4           HB1      LEU   4  -6.183 -12.468 -12.468
  606    HG   LEU   4            HG      LEU   4  -8.145 -10.253 -10.253
  607   1HD1  LEU   4          HD11      LEU   4  -6.366  -9.752  -9.752
  608   2HD1  LEU   4          HD13      LEU   4  -7.350 -10.905 -10.905
  609   3HD1  LEU   4          HD12      LEU   4  -8.081  -9.435  -9.435
  610   1HD2  LEU   4          HD23      LEU   4  -8.044 -13.002 -13.002
  611   2HD2  LEU   4          HD22      LEU   4  -9.289 -12.242 -12.242
  612   3HD2  LEU   4          HD21      LEU   4  -9.191 -11.881 -11.881
  613    HA   PRO   5            HA      PRO   5  -6.480  -8.115  -8.115
  614   1HB   PRO   5           HB2      PRO   5  -4.396  -8.278  -8.278
  615   2HB   PRO   5           HB1      PRO   5  -5.999  -8.972  -8.972
  616   1HG   PRO   5           HG2      PRO   5  -3.457 -10.369 -10.369
  617   2HG   PRO   5           HG1      PRO   5  -4.868 -10.984 -10.984
  618   1HD   PRO   5           HD2      PRO   5  -4.245 -11.493 -11.493
  619   2HD   PRO   5           HD1      PRO   5  -5.787 -11.843 -11.843
  620    H    LYS   6            HN      LYS   6  -3.039  -9.121  -9.121
  621    HA   LYS   6            HA      LYS   6  -2.391  -6.556  -6.556
  622   1HB   LYS   6           HB2      LYS   6  -0.491  -8.646  -8.646
  623   2HB   LYS   6           HB1      LYS   6  -0.085  -7.004  -7.004
  624   1HG   LYS   6           HG2      LYS   6  -0.782  -6.113  -6.113
  625   2HG   LYS   6           HG1      LYS   6  -2.244  -7.099  -7.099
  626   1HD   LYS   6           HD2      LYS   6  -1.202  -8.856  -8.856
  627   2HD   LYS   6           HD1      LYS   6   0.400  -8.419  -8.419
  628   1HE   LYS   6           HE2      LYS   6   0.038  -6.241  -6.241
  629   2HE   LYS   6           HE1      LYS   6  -1.174  -7.205  -7.205
  630   1HZ   LYS   6           HZ3      LYS   6   0.746  -8.940  -8.940
  631   2HZ   LYS   6           HZ2      LYS   6   1.736  -7.574  -7.574
  632   3HZ   LYS   6           HZ1      LYS   6   0.695  -7.681  -7.681
  633    H    LEU   7            HN      LEU   7  -0.167  -7.182  -7.182
  634    HA   LEU   7            HA      LEU   7  -1.162  -8.362  -8.362
  635   1HB   LEU   7           HB2      LEU   7   1.663  -7.896  -7.896
  636   2HB   LEU   7           HB1      LEU   7   1.230  -8.354  -8.354
  637    HG   LEU   7            HG      LEU   7  -0.144  -6.031  -6.031
  638   1HD1  LEU   7          HD13      LEU   7   2.624  -6.071  -6.071
  639   2HD1  LEU   7          HD12      LEU   7   1.651  -4.601  -4.601
  640   3HD1  LEU   7          HD11      LEU   7   2.125  -5.422  -5.422
  641   1HD2  LEU   7          HD22      LEU   7  -0.881  -7.046  -7.046
  642   2HD2  LEU   7          HD21      LEU   7  -0.466  -5.331  -5.331
  643   3HD2  LEU   7          HD23      LEU   7   0.676  -6.540  -6.540
  644    HA   PRO   8            HA      PRO   8  -0.670 -12.653 -12.653
  645   1HB   PRO   8           HB2      PRO   8  -1.032 -13.802 -13.802
  646   2HB   PRO   8           HB1      PRO   8  -2.355 -13.180 -13.180
  647   1HG   PRO   8           HG2      PRO   8  -1.152 -11.991 -11.991
  648   2HG   PRO   8           HG1      PRO   8  -2.780 -11.784 -11.784
  649   1HD   PRO   8           HD2      PRO   8  -0.641  -9.933  -9.933
  650   2HD   PRO   8           HD1      PRO   8  -2.167  -9.888  -9.888
  651    HA   PRO   9            HA      PRO   9   3.690 -13.017 -13.017
  652   1HB   PRO   9           HB2      PRO   9   4.513 -14.524 -14.524
  653   2HB   PRO   9           HB1      PRO   9   4.352 -12.758 -12.758
  654   1HG   PRO   9           HG2      PRO   9   2.594 -14.832 -14.832
  655   2HG   PRO   9           HG1      PRO   9   2.833 -13.142 -13.142
  656   1HD   PRO   9           HD2      PRO   9   0.631 -14.186 -14.186
  657   2HD   PRO   9           HD1      PRO   9   1.006 -12.473 -12.473
  658    H    LYS  10            HN      LYS  10   1.248 -15.393 -15.393
  659    HA   LYS  10            HA      LYS  10   2.684 -17.837 -17.837
  660   1HB   LYS  10           HB2      LYS  10  -0.017 -16.922 -16.922
  661   2HB   LYS  10           HB1      LYS  10   0.587 -18.504 -18.504
  662   1HG   LYS  10           HG2      LYS  10  -0.415 -19.131 -19.131
  663   2HG   LYS  10           HG1      LYS  10   1.160 -18.664 -18.664
  664   1HD   LYS  10           HD2      LYS  10   0.364 -16.701 -16.701
  665   2HD   LYS  10           HD1      LYS  10  -0.901 -16.524 -16.524
  666   1HE   LYS  10           HE2      LYS  10  -2.332 -18.030 -18.030
  667   2HE   LYS  10           HE1      LYS  10  -1.012 -18.807 -18.807
  668   1HZ   LYS  10           HZ3      LYS  10  -1.895 -16.012 -16.012
  669   2HZ   LYS  10           HZ2      LYS  10  -2.403 -17.336 -17.336
  670   3HZ   LYS  10           HZ1      LYS  10  -0.765 -16.887 -16.887
  671    H    THR  11            HN      THR  11   3.558 -18.966 -18.966
  672    HA   THR  11            HA      THR  11   4.306 -17.297 -17.297
  673    HB   THR  11            HB      THR  11   5.081 -20.173 -20.173
  674    HG1  THR  11           HG1      THR  11   5.451 -19.739 -19.739
  675   1HG2  THR  11          HG23      THR  11   5.828 -18.369 -18.369
  676   2HG2  THR  11          HG22      THR  11   6.825 -17.750 -17.750
  677   3HG2  THR  11          HG21      THR  11   7.073 -19.391 -19.391
  678    H    TYR  12            HN      TYR  12   3.136 -20.683 -20.683
  679    HA   TYR  12            HA      TYR  12   1.039 -20.119 -20.119
  680   1HB   TYR  12           HB2      TYR  12   1.908 -22.113 -22.113
  681   2HB   TYR  12           HB1      TYR  12   2.686 -20.546 -20.546
  682    HD1  TYR  12           HD1      TYR  12   4.924 -20.114 -20.114
  683    HD2  TYR  12           HD2      TYR  12   3.077 -23.982 -23.982
  684    HE1  TYR  12           HE1      TYR  12   7.110 -21.113 -21.113
  685    HE2  TYR  12           HE2      TYR  12   5.265 -24.981 -24.981
  686    HH   TYR  12            HH      TYR  12   8.158 -23.497 -23.497
  687    H    LYS  13            HN      LYS  13  -0.280 -20.786 -20.786
  688    HA   LYS  13            HA      LYS  13  -0.503 -23.738 -23.738
  689   1HB   LYS  13           HB2      LYS  13   0.181 -21.861 -21.861
  690   2HB   LYS  13           HB1      LYS  13  -1.033 -23.087 -23.087
  691   1HG   LYS  13           HG2      LYS  13   0.465 -24.868 -24.868
  692   2HG   LYS  13           HG1      LYS  13   1.645 -23.718 -23.718
  693   1HD   LYS  13           HD2      LYS  13   1.892 -22.765 -22.765
  694   2HD   LYS  13           HD1      LYS  13   0.799 -24.011 -24.011
  695   1HE   LYS  13           HE2      LYS  13   2.988 -24.867 -24.867
  696   2HE   LYS  13           HE1      LYS  13   2.403 -25.712 -25.712
  697   1HZ   LYS  13           HZ1      LYS  13   3.580 -24.110 -24.110
  698   2HZ   LYS  13           HZ3      LYS  13   4.155 -23.315 -23.315
  699   3HZ   LYS  13           HZ2      LYS  13   4.650 -24.907 -24.907
  700    H    ARG  14            HN      ARG  14  -2.644 -24.427 -24.427
  701    HA   ARG  14            HA      ARG  14  -4.977 -24.279 -24.279
  702   1HB   ARG  14           HB2      ARG  14  -4.223 -21.841 -21.841
  703   2HB   ARG  14           HB1      ARG  14  -5.907 -22.142 -22.142
  704   1HG   ARG  14           HG2      ARG  14  -5.895 -24.271 -24.271
  705   2HG   ARG  14           HG1      ARG  14  -4.147 -24.203 -24.203
  706   1HD   ARG  14           HD2      ARG  14  -4.317 -22.439 -22.439
  707   2HD   ARG  14           HD1      ARG  14  -5.994 -22.108 -22.108
  708    HE   ARG  14            HE      ARG  14  -6.631 -24.185 -24.185
  709   1HH1  ARG  14          HH11      ARG  14  -4.206 -22.395 -22.395
  710   2HH1  ARG  14          HH12      ARG  14  -3.518 -23.665 -23.665
  711   1HH2  ARG  14          HH21      ARG  14  -5.384 -26.170 -26.170
  712   2HH2  ARG  14          HH22      ARG  14  -4.184 -25.802 -25.802
  713    H    GLU  15            HN      GLU  15  -4.699 -20.737 -20.737
  714    HA   GLU  15            HA      GLU  15  -5.098 -20.887 -20.887
  715   1HB   GLU  15           HB2      GLU  15  -7.020 -19.809 -19.809
  716   2HB   GLU  15           HB1      GLU  15  -6.884 -18.984 -18.984
  717   1HG   GLU  15           HG2      GLU  15  -8.471 -20.542 -20.542
  718   2HG   GLU  15           HG1      GLU  15  -7.031 -21.512 -21.512

  Start of MODEL   11
    1   1H    GLY  -8           HT1      GLY  -8   9.386  -4.035  -4.035
    2   2H    GLY  -8           HT3      GLY  -8   9.784  -5.134  -5.134
    3   3H    GLY  -8           HT2      GLY  -8   8.615  -3.935  -3.935
    4   1HA   GLY  -8           HA1      GLY  -8  10.508  -3.007  -3.007
    5   2HA   GLY  -8           HA2      GLY  -8  11.684  -3.744  -3.744
    6    H    SER  -7            HN      SER  -7   8.661  -1.964  -1.964
    7    HA   SER  -7            HA      SER  -7   9.510   0.701   0.701
    8   1HB   SER  -7           HB2      SER  -7   9.430   0.116   0.116
    9   2HB   SER  -7           HB1      SER  -7   9.862   1.639   1.639
   10    HG   SER  -7            HG      SER  -7  11.702   0.413   0.413
   11    H    ARG  -6            HN      ARG  -6   7.727   2.030   2.030
   12    HA   ARG  -6            HA      ARG  -6   5.195   0.983   0.983
   13   1HB   ARG  -6           HB2      ARG  -6   4.071   2.332   2.332
   14   2HB   ARG  -6           HB1      ARG  -6   5.015   0.955   0.955
   15   1HG   ARG  -6           HG2      ARG  -6   6.491   2.278   2.278
   16   2HG   ARG  -6           HG1      ARG  -6   6.608   3.416   3.416
   17   1HD   ARG  -6           HD2      ARG  -6   4.811   4.697   4.697
   18   2HD   ARG  -6           HD1      ARG  -6   4.099   3.355   3.355
   19    HE   ARG  -6            HE      ARG  -6   6.552   4.811   4.811
   20   1HH1  ARG  -6          HH21      ARG  -6   6.578   2.670   2.670
   21   2HH1  ARG  -6          HH22      ARG  -6   5.363   2.948   2.948
   22   1HH2  ARG  -6          HH11      ARG  -6   3.701   5.357   5.357
   23   2HH2  ARG  -6          HH12      ARG  -6   3.735   4.471   4.471
   24    H    ARG  -5            HN      ARG  -5   5.318   2.126   2.126
   25    HA   ARG  -5            HA      ARG  -5   5.807   5.023   5.023
   26   1HB   ARG  -5           HB2      ARG  -5   4.855   3.249   3.249
   27   2HB   ARG  -5           HB1      ARG  -5   5.544   4.867   4.867
   28   1HG   ARG  -5           HG2      ARG  -5   7.691   4.113   4.113
   29   2HG   ARG  -5           HG1      ARG  -5   7.037   2.543   2.543
   30   1HD   ARG  -5           HD2      ARG  -5   6.503   2.079   2.079
   31   2HD   ARG  -5           HD1      ARG  -5   7.221   3.626   3.626
   32    HE   ARG  -5            HE      ARG  -5   8.737   1.303   1.303
   33   1HH1  ARG  -5          HH11      ARG  -5  10.176   3.745   3.745
   34   2HH1  ARG  -5          HH12      ARG  -5  11.120   4.063   4.063
   35   1HH2  ARG  -5          HH21      ARG  -5   9.249   1.977   1.977
   36   2HH2  ARG  -5          HH22      ARG  -5  10.595   3.063   3.063
   37    H    ALA  -4            HN      ALA  -4   3.962   5.507   5.507
   38    HA   ALA  -4            HA      ALA  -4   1.789   6.316   6.316
   39   1HB   ALA  -4           HB2      ALA  -4   2.496   7.237   7.237
   40   2HB   ALA  -4           HB1      ALA  -4   1.101   6.253   6.253
   41   3HB   ALA  -4           HB3      ALA  -4   0.922   7.560   7.560
   42    H    SER  -3            HN      SER  -3   1.879   3.712   3.712
   43    HA   SER  -3            HA      SER  -3  -0.530   2.577   2.577
   44   1HB   SER  -3           HB2      SER  -3   1.856   1.468   1.468
   45   2HB   SER  -3           HB1      SER  -3   1.514   0.791   0.791
   46    HG   SER  -3            HG      SER  -3  -0.115  -0.338  -0.338
   47    H    VAL  -2            HN      VAL  -2  -2.207   2.432   2.432
   48    HA   VAL  -2            HA      VAL  -2  -1.631   2.313   2.313
   49    HB   VAL  -2            HB      VAL  -2  -4.247   2.907   2.907
   50   1HG1  VAL  -2          HG12      VAL  -2  -3.353   3.101   3.101
   51   2HG1  VAL  -2          HG11      VAL  -2  -4.821   3.862   3.862
   52   3HG1  VAL  -2          HG13      VAL  -2  -4.655   2.106   2.106
   53   1HG2  VAL  -2          HG22      VAL  -2  -2.089   4.521   4.521
   54   2HG2  VAL  -2          HG21      VAL  -2  -3.730   5.152   5.152
   55   3HG2  VAL  -2          HG23      VAL  -2  -2.720   5.001   5.001
   56    H    GLY  -1            HN      GLY  -1  -2.040   0.439   0.439
   57   1HA   GLY  -1           HA2      GLY  -1  -4.154  -1.393  -1.393
   58   2HA   GLY  -1           HA1      GLY  -1  -2.585  -2.016  -2.016
   59    H    SER   0            HN      SER   0  -4.278  -0.715  -0.715
   60    HA   SER   0            HA      SER   0  -2.344  -2.121  -2.121
   61   1HB   SER   0           HB2      SER   0  -3.917  -0.998  -0.998
   62   2HB   SER   0           HB1      SER   0  -2.762  -0.003  -0.003
   63    HG   SER   0            HG      SER   0  -4.446   1.065   1.065
   64    H    MET   1            HN      MET   1  -3.252  -3.462  -3.462
   65    HA   MET   1            HA      MET   1  -5.670  -4.957  -4.957
   66   1HB   MET   1           HB2      MET   1  -3.100  -5.815  -5.815
   67   2HB   MET   1           HB1      MET   1  -4.562  -6.709  -6.709
   68   1HG   MET   1           HG2      MET   1  -3.575  -7.780  -7.780
   69   2HG   MET   1           HG1      MET   1  -5.050  -6.965  -6.965
   70   1HE   MET   1           HE1      MET   1  -4.102  -7.666  -7.666
   71   2HE   MET   1           HE3      MET   1  -3.462  -6.430  -6.430
   72   3HE   MET   1           HE2      MET   1  -2.372  -7.570  -7.570
   73    H    GLU   2            HN      GLU   2  -6.392  -6.294  -6.294
   74    HA   GLU   2            HA      GLU   2  -6.761  -4.172  -4.172
   75   1HB   GLU   2           HB2      GLU   2  -8.704  -5.363  -5.363
   76   2HB   GLU   2           HB1      GLU   2  -8.914  -6.101  -6.101
   77   1HG   GLU   2           HG2      GLU   2  -9.368  -4.045  -4.045
   78   2HG   GLU   2           HG1      GLU   2  -8.613  -3.120  -3.120
   79    H    ALA   3            HN      ALA   3  -7.628  -5.382  -5.382
   80    HA   ALA   3            HA      ALA   3  -6.632  -8.091  -8.091
   81   1HB   ALA   3           HB3      ALA   3  -5.224  -5.726  -5.726
   82   2HB   ALA   3           HB2      ALA   3  -5.326  -7.160  -7.160
   83   3HB   ALA   3           HB1      ALA   3  -4.587  -7.268  -7.268
   84    H    ILE   4            HN      ILE   4  -8.189  -9.019  -9.019
   85    HA   ILE   4            HA      ILE   4 -10.256  -7.704  -7.704
   86    HB   ILE   4            HB      ILE   4 -10.626  -9.842  -9.842
   87   1HG1  ILE   4          HG12      ILE   4 -10.727 -10.858 -10.858
   88   2HG1  ILE   4          HG11      ILE   4 -11.332  -9.205  -9.205
   89   1HG2  ILE   4          HG23      ILE   4  -8.113 -10.479 -10.479
   90   2HG2  ILE   4          HG22      ILE   4  -9.335 -11.716 -11.716
   91   3HG2  ILE   4          HG21      ILE   4  -8.917 -11.272 -11.272
   92   1HD1  ILE   4          HD13      ILE   4 -12.171 -11.417 -11.417
   93   2HD1  ILE   4          HD12      ILE   4 -13.047 -10.992 -10.992
   94   3HD1  ILE   4          HD11      ILE   4 -12.887  -9.818  -9.818
   95    H    ALA   5            HN      ALA   5 -10.233  -6.784  -6.784
   96    HA   ALA   5            HA      ALA   5  -8.117  -7.215  -7.215
   97   1HB   ALA   5           HB2      ALA   5 -10.811  -5.799  -5.799
   98   2HB   ALA   5           HB1      ALA   5  -9.575  -5.789  -5.789
   99   3HB   ALA   5           HB3      ALA   5  -9.249  -5.031  -5.031
  100    H    LYS   6            HN      LYS   6  -8.158  -9.256  -9.256
  101    HA   LYS   6            HA      LYS   6 -10.453 -10.923 -10.923
  102   1HB   LYS   6           HB2      LYS   6  -7.887 -11.019 -11.019
  103   2HB   LYS   6           HB1      LYS   6  -9.053 -12.333 -12.333
  104   1HG   LYS   6           HG2      LYS   6  -8.575 -12.624 -12.624
  105   2HG   LYS   6           HG1      LYS   6  -7.818 -11.038 -11.038
  106   1HD   LYS   6           HD2      LYS   6  -6.094 -12.754 -12.754
  107   2HD   LYS   6           HD1      LYS   6  -5.988 -11.816 -11.816
  108   1HE   LYS   6           HE2      LYS   6  -6.515 -13.613 -13.613
  109   2HE   LYS   6           HE1      LYS   6  -7.794 -14.138 -14.138
  110   1HZ   LYS   6           HZ2      LYS   6  -5.906 -14.854 -14.854
  111   2HZ   LYS   6           HZ1      LYS   6  -4.894 -14.690 -14.690
  112   3HZ   LYS   6           HZ3      LYS   6  -6.179 -15.795 -15.795
  113    H    TYR   7            HN      TYR   7  -9.201  -8.418  -8.418
  114    HA   TYR   7            HA      TYR   7 -11.540  -8.789  -8.789
  115   1HB   TYR   7           HB2      TYR   7  -8.807  -8.553  -8.553
  116   2HB   TYR   7           HB1      TYR   7 -10.315  -9.038  -9.038
  117    HD1  TYR   7           HD2      TYR   7 -11.357 -11.274 -11.274
  118    HD2  TYR   7           HD1      TYR   7  -7.369 -10.127 -10.127
  119    HE1  TYR   7           HE2      TYR   7 -10.804 -13.645 -13.645
  120    HE2  TYR   7           HE1      TYR   7  -6.803 -12.485 -12.485
  121    HH   TYR   7            HH      TYR   7  -8.271 -14.971 -14.971
  122    H    ASP   8            HN      ASP   8 -11.104  -7.098  -7.098
  123    HA   ASP   8            HA      ASP   8 -11.142  -4.541  -4.541
  124   1HB   ASP   8           HB2      ASP   8 -11.964  -3.675  -3.675
  125   2HB   ASP   8           HB1      ASP   8 -12.738  -5.239  -5.239
  126    H    PHE   9            HN      PHE   9  -9.895  -2.699  -2.699
  127    HA   PHE   9            HA      PHE   9  -7.574  -2.908  -2.908
  128   1HB   PHE   9           HB2      PHE   9  -7.180  -4.194  -4.194
  129   2HB   PHE   9           HB1      PHE   9  -6.651  -2.564  -2.564
  130    HD1  PHE   9           HD2      PHE   9  -6.411  -4.949  -4.949
  131    HD2  PHE   9           HD1      PHE   9  -4.431  -2.046  -2.046
  132    HE1  PHE   9           HE2      PHE   9  -4.280  -5.363  -5.363
  133    HE2  PHE   9           HE1      PHE   9  -2.312  -2.434  -2.434
  134    HZ   PHE   9            HZ      PHE   9  -2.239  -4.092  -4.092
  135    H    LYS  10            HN      LYS  10  -6.071  -0.908  -0.908
  136    HA   LYS  10            HA      LYS  10  -7.536   1.282   1.282
  137   1HB   LYS  10           HB2      LYS  10  -7.508   2.744   2.744
  138   2HB   LYS  10           HB1      LYS  10  -8.237   1.228   1.228
  139   1HG   LYS  10           HG2      LYS  10  -5.877   0.538   0.538
  140   2HG   LYS  10           HG1      LYS  10  -5.442   2.235   2.235
  141   1HD   LYS  10           HD2      LYS  10  -7.761   1.290   1.290
  142   2HD   LYS  10           HD1      LYS  10  -6.152   1.637   1.637
  143   1HE   LYS  10           HE2      LYS  10  -6.387   3.939   3.939
  144   2HE   LYS  10           HE1      LYS  10  -8.099   3.552   3.552
  145   1HZ   LYS  10           HZ2      LYS  10  -8.037   3.044   3.044
  146   2HZ   LYS  10           HZ1      LYS  10  -6.526   3.818   3.818
  147   3HZ   LYS  10           HZ3      LYS  10  -7.909   4.681   4.681
  148    H    ALA  11            HN      ALA  11  -6.140   3.342   3.342
  149    HA   ALA  11            HA      ALA  11  -3.538   2.538   2.538
  150   1HB   ALA  11           HB3      ALA  11  -5.115   4.479   4.479
  151   2HB   ALA  11           HB2      ALA  11  -4.272   5.407   5.407
  152   3HB   ALA  11           HB1      ALA  11  -3.355   4.656   4.656
  153    H    THR  12            HN      THR  12  -1.666   2.662   2.662
  154    HA   THR  12            HA      THR  12  -1.859   3.922   3.922
  155    HB   THR  12            HB      THR  12  -0.158   2.273   2.273
  156    HG1  THR  12           HG1      THR  12   0.958   1.457   1.457
  157   1HG2  THR  12          HG21      THR  12  -2.785   1.851   1.851
  158   2HG2  THR  12          HG23      THR  12  -2.216   0.599   0.599
  159   3HG2  THR  12          HG22      THR  12  -1.695   0.593   0.593
  160    H    ALA  13            HN      ALA  13  -1.187   5.526   5.526
  161    HA   ALA  13            HA      ALA  13   1.227   6.768   6.768
  162   1HB   ALA  13           HB1      ALA  13   1.529   4.689   4.689
  163   2HB   ALA  13           HB3      ALA  13   2.492   6.168   6.168
  164   3HB   ALA  13           HB2      ALA  13   2.634   5.103   5.103
  165    H    ASP  14            HN      ASP  14   2.096   8.156   8.156
  166    HA   ASP  14            HA      ASP  14  -0.221   9.600   9.600
  167   1HB   ASP  14           HB2      ASP  14   1.964  10.483  10.483
  168   2HB   ASP  14           HB1      ASP  14   2.640  10.245  10.245
  169    H    ASP  15            HN      ASP  15   1.285   6.922   6.922
  170    HA   ASP  15            HA      ASP  15   0.653   7.569   7.569
  171   1HB   ASP  15           HB2      ASP  15   3.303   6.816   6.816
  172   2HB   ASP  15           HB1      ASP  15   2.821   6.066   6.066
  173    H    GLU  16            HN      GLU  16  -0.550   5.919   5.919
  174    HA   GLU  16            HA      GLU  16  -0.328   3.228   3.228
  175   1HB   GLU  16           HB2      GLU  16   0.094   3.669   3.669
  176   2HB   GLU  16           HB1      GLU  16  -1.661   3.754   3.754
  177   1HG   GLU  16           HG2      GLU  16  -1.943   1.542   1.542
  178   2HG   GLU  16           HG1      GLU  16  -0.530   1.477   1.477
  179    H    LEU  17            HN      LEU  17  -2.558   2.021   2.021
  180    HA   LEU  17            HA      LEU  17  -4.737   3.933   3.933
  181   1HB   LEU  17           HB2      LEU  17  -3.773   3.024   3.024
  182   2HB   LEU  17           HB1      LEU  17  -4.031   1.390   1.390
  183    HG   LEU  17            HG      LEU  17  -6.526   2.049   2.049
  184   1HD1  LEU  17          HD12      LEU  17  -5.579   4.547   4.547
  185   2HD1  LEU  17          HD11      LEU  17  -6.091   3.979   3.979
  186   3HD1  LEU  17          HD13      LEU  17  -7.245   4.029   4.029
  187   1HD2  LEU  17          HD22      LEU  17  -4.886   1.331   1.331
  188   2HD2  LEU  17          HD21      LEU  17  -6.340   0.562   0.562
  189   3HD2  LEU  17          HD23      LEU  17  -6.479   1.983   1.983
  190    H    SER  18            HN      SER  18  -6.656   3.536   3.536
  191    HA   SER  18            HA      SER  18  -6.898   1.267   1.267
  192   1HB   SER  18           HB2      SER  18  -8.692   2.533   2.533
  193   2HB   SER  18           HB1      SER  18  -7.437   3.676   3.676
  194    HG   SER  18            HG      SER  18  -8.506   4.214   4.214
  195    H    PHE  19            HN      PHE  19  -9.103   0.180   0.180
  196    HA   PHE  19            HA      PHE  19 -10.928   0.179   0.179
  197   1HB   PHE  19           HB2      PHE  19 -10.283  -1.919  -1.919
  198   2HB   PHE  19           HB1      PHE  19  -9.075  -0.657  -0.657
  199    HD1  PHE  19           HD1      PHE  19  -9.908  -3.691  -3.691
  200    HD2  PHE  19           HD2      PHE  19  -6.835  -0.964  -0.964
  201    HE1  PHE  19           HE1      PHE  19  -8.180  -5.192  -5.192
  202    HE2  PHE  19           HE2      PHE  19  -5.110  -2.461  -2.461
  203    HZ   PHE  19            HZ      PHE  19  -5.782  -4.576  -4.576
  204    H    LYS  20            HN      LYS  20 -12.322  -1.893  -1.893
  205    HA   LYS  20            HA      LYS  20 -12.246  -2.992  -2.992
  206   1HB   LYS  20           HB2      LYS  20 -14.650  -2.497  -2.497
  207   2HB   LYS  20           HB1      LYS  20 -14.683  -3.116  -3.116
  208   1HG   LYS  20           HG2      LYS  20 -13.374  -0.497  -0.497
  209   2HG   LYS  20           HG1      LYS  20 -15.097  -0.601  -0.601
  210   1HD   LYS  20           HD2      LYS  20 -14.734  -1.252  -1.252
  211   2HD   LYS  20           HD1      LYS  20 -13.115  -1.863  -1.863
  212   1HE   LYS  20           HE2      LYS  20 -12.614   0.655   0.655
  213   2HE   LYS  20           HE1      LYS  20 -14.021   0.967   0.967
  214   1HZ   LYS  20           HZ2      LYS  20 -12.861  -0.576  -0.576
  215   2HZ   LYS  20           HZ1      LYS  20 -11.460  -0.299  -0.299
  216   3HZ   LYS  20           HZ3      LYS  20 -12.255   1.001   1.001
  217    H    ARG  21            HN      ARG  21 -13.791  -5.035  -5.035
  218    HA   ARG  21            HA      ARG  21 -12.482  -7.034  -7.034
  219   1HB   ARG  21           HB2      ARG  21 -13.494  -7.331  -7.331
  220   2HB   ARG  21           HB1      ARG  21 -15.083  -7.262  -7.262
  221   1HG   ARG  21           HG2      ARG  21 -14.801  -9.297  -9.297
  222   2HG   ARG  21           HG1      ARG  21 -13.040  -9.161  -9.161
  223   1HD   ARG  21           HD2      ARG  21 -12.831 -10.043 -10.043
  224   2HD   ARG  21           HD1      ARG  21 -14.260  -9.209  -9.209
  225    HE   ARG  21            HE      ARG  21 -14.770 -11.457 -11.457
  226   1HH1  ARG  21          HH11      ARG  21 -17.066 -11.156 -11.156
  227   2HH1  ARG  21          HH12      ARG  21 -16.897 -12.022 -12.022
  228   1HH2  ARG  21          HH21      ARG  21 -13.438 -12.190 -12.190
  229   2HH2  ARG  21          HH22      ARG  21 -14.843 -12.607 -12.607
  230    H    GLY  22            HN      GLY  22 -12.851  -7.082  -7.082
  231   1HA   GLY  22           HA2      GLY  22 -14.411  -7.904  -7.904
  232   2HA   GLY  22           HA1      GLY  22 -15.703  -7.041  -7.041
  233    H    ASP  23            HN      ASP  23 -12.999  -5.069  -5.069
  234    HA   ASP  23            HA      ASP  23 -13.974  -3.523  -3.523
  235   1HB   ASP  23           HB2      ASP  23 -13.191  -2.822  -2.822
  236   2HB   ASP  23           HB1      ASP  23 -11.853  -2.297  -2.297
  237    H    ILE  24            HN      ILE  24 -12.971  -4.131  -4.131
  238    HA   ILE  24            HA      ILE  24 -10.223  -5.142  -5.142
  239    HB   ILE  24            HB      ILE  24 -11.796  -4.574  -4.574
  240   1HG1  ILE  24          HG12      ILE  24 -12.118  -6.841  -6.841
  241   2HG1  ILE  24          HG11      ILE  24 -13.379  -5.819  -5.819
  242   1HG2  ILE  24          HG22      ILE  24  -9.271  -5.423  -5.423
  243   2HG2  ILE  24          HG21      ILE  24 -10.087  -6.977  -6.977
  244   3HG2  ILE  24          HG23      ILE  24 -10.255  -5.989  -5.989
  245   1HD1  ILE  24          HD12      ILE  24 -12.389  -6.927  -6.927
  246   2HD1  ILE  24          HD11      ILE  24 -12.085  -8.232  -8.232
  247   3HD1  ILE  24          HD13      ILE  24 -13.724  -7.623  -7.623
  248    H    LEU  25            HN      LEU  25  -8.414  -4.075  -4.075
  249    HA   LEU  25            HA      LEU  25  -8.751  -1.136  -1.136
  250   1HB   LEU  25           HB2      LEU  25  -6.084  -2.441  -2.441
  251   2HB   LEU  25           HB1      LEU  25  -6.604  -0.807  -0.807
  252    HG   LEU  25            HG      LEU  25  -6.574  -1.834  -1.834
  253   1HD1  LEU  25          HD11      LEU  25  -9.002  -1.061  -1.061
  254   2HD1  LEU  25          HD13      LEU  25  -9.360  -2.716  -2.716
  255   3HD1  LEU  25          HD12      LEU  25  -8.723  -1.599  -1.599
  256   1HD2  LEU  25          HD22      LEU  25  -6.485  -4.189  -4.189
  257   2HD2  LEU  25          HD21      LEU  25  -6.697  -4.077  -4.077
  258   3HD2  LEU  25          HD23      LEU  25  -8.104  -4.285  -4.285
  259    H    LYS  26            HN      LYS  26  -7.162  -0.071  -0.071
  260    HA   LYS  26            HA      LYS  26  -6.864  -1.819  -1.819
  261   1HB   LYS  26           HB2      LYS  26  -7.219   1.139   1.139
  262   2HB   LYS  26           HB1      LYS  26  -6.458   0.551   0.551
  263   1HG   LYS  26           HG2      LYS  26  -8.452  -1.003  -1.003
  264   2HG   LYS  26           HG1      LYS  26  -9.226  -0.098  -0.098
  265   1HD   LYS  26           HD2      LYS  26  -9.581   1.743   1.743
  266   2HD   LYS  26           HD1      LYS  26  -8.052   1.550   1.550
  267   1HE   LYS  26           HE2      LYS  26  -9.315  -0.625  -0.625
  268   2HE   LYS  26           HE1      LYS  26 -10.726   0.379   0.379
  269   1HZ   LYS  26           HZ2      LYS  26  -8.376   1.303   1.303
  270   2HZ   LYS  26           HZ1      LYS  26  -9.774   0.647   0.647
  271   3HZ   LYS  26           HZ3      LYS  26  -9.870   2.091   2.091
  272    H    VAL  27            HN      VAL  27  -4.840  -2.778  -2.778
  273    HA   VAL  27            HA      VAL  27  -2.590  -1.535  -1.535
  274    HB   VAL  27            HB      VAL  27  -2.589  -3.712  -3.712
  275   1HG1  VAL  27          HG11      VAL  27  -0.423  -2.311  -2.311
  276   2HG1  VAL  27          HG13      VAL  27  -0.518  -3.676  -3.676
  277   3HG1  VAL  27          HG12      VAL  27  -0.352  -3.961  -3.961
  278   1HG2  VAL  27          HG23      VAL  27  -4.001  -4.222  -4.222
  279   2HG2  VAL  27          HG22      VAL  27  -2.575  -5.253  -5.253
  280   3HG2  VAL  27          HG21      VAL  27  -2.616  -3.890  -3.890
  281    H    LEU  28            HN      LEU  28  -1.796   0.356   0.356
  282    HA   LEU  28            HA      LEU  28  -1.654   1.038   1.038
  283   1HB   LEU  28           HB2      LEU  28  -0.330   2.732   2.732
  284   2HB   LEU  28           HB1      LEU  28  -1.176   3.231   3.231
  285    HG   LEU  28            HG      LEU  28  -3.087   1.950   1.950
  286   1HD1  LEU  28          HD12      LEU  28  -1.304   3.976   3.976
  287   2HD1  LEU  28          HD11      LEU  28  -2.926   3.596   3.596
  288   3HD1  LEU  28          HD13      LEU  28  -1.689   2.343   2.343
  289   1HD2  LEU  28          HD21      LEU  28  -2.923   4.160   4.160
  290   2HD2  LEU  28          HD23      LEU  28  -4.320   3.728   3.728
  291   3HD2  LEU  28          HD22      LEU  28  -3.140   4.887   4.887
  292    H    ASN  29            HN      ASN  29   0.360  -0.077  -0.077
  293    HA   ASN  29            HA      ASN  29   2.524  -0.696  -0.696
  294   1HB   ASN  29           HB2      ASN  29   2.633   1.841   1.841
  295   2HB   ASN  29           HB1      ASN  29   3.513   0.995   0.995
  296   1HD2  ASN  29          HD22      ASN  29   6.047   1.873   1.873
  297   2HD2  ASN  29          HD21      ASN  29   5.061   2.708   2.708
  298    H    GLU  30            HN      GLU  30   4.459  -1.633  -1.633
  299    HA   GLU  30            HA      GLU  30   3.527  -2.917  -2.917
  300   1HB   GLU  30           HB2      GLU  30   5.064  -4.329  -4.329
  301   2HB   GLU  30           HB1      GLU  30   4.452  -5.052  -5.052
  302   1HG   GLU  30           HG2      GLU  30   2.713  -5.634  -5.634
  303   2HG   GLU  30           HG1      GLU  30   2.149  -4.024  -4.024
  304    H    GLU  31            HN      GLU  31   4.961  -0.794  -0.794
  305    HA   GLU  31            HA      GLU  31   7.854  -1.488  -1.488
  306   1HB   GLU  31           HB2      GLU  31   6.366   1.096   1.096
  307   2HB   GLU  31           HB1      GLU  31   8.111   0.908   0.908
  308   1HG   GLU  31           HG2      GLU  31   7.812  -0.107  -0.107
  309   2HG   GLU  31           HG1      GLU  31   6.473   1.040   1.040
  310    H    CYS  32            HN      CYS  32   8.851  -0.353  -0.353
  311    HA   CYS  32            HA      CYS  32   9.083  -0.523  -0.523
  312   1HB   CYS  32           HB2      CYS  32   6.457   0.228   0.228
  313   2HB   CYS  32           HB1      CYS  32   6.279  -1.287  -1.287
  314    HG   CYS  32            HG      CYS  32   8.344   0.572   0.572
  315    H    ASP  33            HN      ASP  33   7.877  -2.262  -2.262
  316    HA   ASP  33            HA      ASP  33   9.242  -4.590  -4.590
  317   1HB   ASP  33           HB2      ASP  33   7.414  -3.669  -3.669
  318   2HB   ASP  33           HB1      ASP  33   6.421  -4.850  -4.850
  319    H    GLN  34            HN      GLN  34   8.696  -6.811  -6.811
  320    HA   GLN  34            HA      GLN  34   7.369  -6.969  -6.969
  321   1HB   GLN  34           HB2      GLN  34   9.642  -8.140  -8.140
  322   2HB   GLN  34           HB1      GLN  34   8.477  -9.428  -9.428
  323   1HG   GLN  34           HG2      GLN  34   8.800  -9.974  -9.974
  324   2HG   GLN  34           HG1      GLN  34   7.753  -8.598  -8.598
  325   1HE2  GLN  34          HE22      GLN  34  10.343  -7.014  -7.014
  326   2HE2  GLN  34          HE21      GLN  34   8.692  -7.388  -7.388
  327    H    ASN  35            HN      ASN  35   5.993  -6.758  -6.758
  328    HA   ASN  35            HA      ASN  35   4.172  -9.043  -9.043
  329   1HB   ASN  35           HB2      ASN  35   5.187  -7.905  -7.905
  330   2HB   ASN  35           HB1      ASN  35   3.763  -8.950  -8.950
  331   1HD2  ASN  35          HD22      ASN  35   5.717 -11.834 -11.834
  332   2HD2  ASN  35          HD21      ASN  35   4.235 -11.074 -11.074
  333    H    TRP  36            HN      TRP  36   4.420  -5.670  -5.670
  334    HA   TRP  36            HA      TRP  36   1.442  -5.516  -5.516
  335   1HB   TRP  36           HB2      TRP  36   3.404  -3.245  -3.245
  336   2HB   TRP  36           HB1      TRP  36   1.669  -3.234  -3.234
  337    HD1  TRP  36           HD1      TRP  36   4.495  -5.759  -5.759
  338    HE1  TRP  36           HE1      TRP  36   4.370  -6.125  -6.125
  339    HE3  TRP  36           HE3      TRP  36   0.600  -2.596  -2.596
  340    HZ2  TRP  36           HZ2      TRP  36   2.925  -5.222  -5.222
  341    HZ3  TRP  36           HZ3      TRP  36  -0.055  -2.368  -2.368
  342    HH2  TRP  36           HH2      TRP  36   1.086  -3.680  -3.680
  343    H    TYR  37            HN      TYR  37   0.276  -4.554  -4.554
  344    HA   TYR  37            HA      TYR  37   1.726  -3.863  -3.863
  345   1HB   TYR  37           HB2      TYR  37  -1.219  -4.267  -4.267
  346   2HB   TYR  37           HB1      TYR  37  -0.550  -3.894  -3.894
  347    HD1  TYR  37           HD2      TYR  37   1.860  -5.609  -5.609
  348    HD2  TYR  37           HD1      TYR  37  -2.065  -6.402  -6.402
  349    HE1  TYR  37           HE2      TYR  37   2.175  -8.033  -8.033
  350    HE2  TYR  37           HE1      TYR  37  -1.768  -8.813  -8.813
  351    HH   TYR  37            HH      TYR  37   1.307 -10.159 -10.159
  352    H    LYS  38            HN      LYS  38   1.355  -1.892  -1.892
  353    HA   LYS  38            HA      LYS  38   0.252   0.338   0.338
  354   1HB   LYS  38           HB2      LYS  38   2.478   0.649   0.649
  355   2HB   LYS  38           HB1      LYS  38   1.672   0.429   0.429
  356   1HG   LYS  38           HG2      LYS  38   0.080   2.320   2.320
  357   2HG   LYS  38           HG1      LYS  38   1.698   2.761   2.761
  358   1HD   LYS  38           HD2      LYS  38   1.918   2.145   2.145
  359   2HD   LYS  38           HD1      LYS  38   0.488   3.162   3.162
  360   1HE   LYS  38           HE2      LYS  38   1.989   4.649   4.649
  361   2HE   LYS  38           HE1      LYS  38   3.334   3.778   3.778
  362   1HZ   LYS  38           HZ3      LYS  38   1.218   5.016   5.016
  363   2HZ   LYS  38           HZ2      LYS  38   2.555   5.917   5.917
  364   3HZ   LYS  38           HZ1      LYS  38   2.784   4.558   4.558
  365    H    ALA  39            HN      ALA  39  -1.820   1.059   1.059
  366    HA   ALA  39            HA      ALA  39  -2.921   0.615   0.615
  367   1HB   ALA  39           HB3      ALA  39  -3.215  -1.535  -1.535
  368   2HB   ALA  39           HB2      ALA  39  -4.117  -0.715  -0.715
  369   3HB   ALA  39           HB1      ALA  39  -4.761  -0.763  -0.763
  370    H    GLU  40            HN      GLU  40  -5.465   1.011   1.011
  371    HA   GLU  40            HA      GLU  40  -5.825   3.374   3.374
  372   1HB   GLU  40           HB2      GLU  40  -5.419   4.852   4.852
  373   2HB   GLU  40           HB1      GLU  40  -4.791   3.518   3.518
  374   1HG   GLU  40           HG2      GLU  40  -6.985   3.228   3.228
  375   2HG   GLU  40           HG1      GLU  40  -7.698   4.446   4.446
  376    H    LEU  41            HN      LEU  41  -7.762   3.706   3.706
  377    HA   LEU  41            HA      LEU  41  -9.967   2.069   2.069
  378   1HB   LEU  41           HB2      LEU  41  -9.384   3.167   3.167
  379   2HB   LEU  41           HB1      LEU  41 -11.084   3.026   3.026
  380    HG   LEU  41            HG      LEU  41  -9.222   0.762   0.762
  381   1HD1  LEU  41          HD12      LEU  41 -10.035   1.792   1.792
  382   2HD1  LEU  41          HD11      LEU  41 -10.448   0.094   0.094
  383   3HD1  LEU  41          HD13      LEU  41  -8.774   0.629   0.629
  384   1HD2  LEU  41          HD22      LEU  41 -11.570   0.938   0.938
  385   2HD2  LEU  41          HD21      LEU  41 -11.276  -0.497  -0.497
  386   3HD2  LEU  41          HD23      LEU  41 -12.141   0.884   0.884
  387    H    ASN  42            HN      ASN  42 -10.680   3.091   3.091
  388    HA   ASN  42            HA      ASN  42 -11.694   4.763   4.763
  389   1HB   ASN  42           HB2      ASN  42 -13.074   4.500   4.500
  390   2HB   ASN  42           HB1      ASN  42 -13.568   5.837   5.837
  391   1HD2  ASN  42          HD22      ASN  42 -14.460   3.439   3.439
  392   2HD2  ASN  42          HD21      ASN  42 -13.458   4.800   4.800
  393    H    GLY  43            HN      GLY  43  -9.364   5.870   5.870
  394   1HA   GLY  43           HA2      GLY  43  -9.088   8.426   8.426
  395   2HA   GLY  43           HA1      GLY  43 -10.271   8.633   8.633
  396    H    LYS  44            HN      LYS  44  -9.219   6.659   6.659
  397    HA   LYS  44            HA      LYS  44  -6.955   8.121   8.121
  398   1HB   LYS  44           HB2      LYS  44  -8.828   6.044   6.044
  399   2HB   LYS  44           HB1      LYS  44  -7.215   6.182   6.182
  400   1HG   LYS  44           HG2      LYS  44  -8.738   7.617   7.617
  401   2HG   LYS  44           HG1      LYS  44  -7.578   8.600   8.600
  402   1HD   LYS  44           HD2      LYS  44  -9.826   9.541   9.541
  403   2HD   LYS  44           HD1      LYS  44  -9.268   8.898   8.898
  404   1HE   LYS  44           HE2      LYS  44 -10.587   6.897   6.897
  405   2HE   LYS  44           HE1      LYS  44 -10.999   7.334   7.334
  406   1HZ   LYS  44           HZ2      LYS  44 -11.976   9.430   9.430
  407   2HZ   LYS  44           HZ1      LYS  44 -11.912   8.579   8.579
  408   3HZ   LYS  44           HZ3      LYS  44 -12.842   7.979   7.979
  409    H    ASP  45            HN      ASP  45  -5.220   6.650   6.650
  410    HA   ASP  45            HA      ASP  45  -4.720   4.262   4.262
  411   1HB   ASP  45           HB2      ASP  45  -3.321   4.963   4.963
  412   2HB   ASP  45           HB1      ASP  45  -4.351   6.375   6.375
  413    H    GLY  46            HN      GLY  46  -2.200   3.735   3.735
  414   1HA   GLY  46           HA2      GLY  46  -0.271   4.337   4.337
  415   2HA   GLY  46           HA1      GLY  46  -1.468   4.278   4.278
  416    H    PHE  47            HN      PHE  47   0.699   2.698   2.698
  417    HA   PHE  47            HA      PHE  47   0.503   0.089   0.089
  418   1HB   PHE  47           HB2      PHE  47   1.845   1.073   1.073
  419   2HB   PHE  47           HB1      PHE  47   2.050  -0.552  -0.552
  420    HD1  PHE  47           HD2      PHE  47   2.785  -0.730  -0.730
  421    HD2  PHE  47           HD1      PHE  47   3.210   2.816   2.816
  422    HE1  PHE  47           HE2      PHE  47   4.502   0.121   0.121
  423    HE2  PHE  47           HE1      PHE  47   4.927   3.669   3.669
  424    HZ   PHE  47            HZ      PHE  47   5.572   2.322   2.322
  425    H    ILE  48            HN      ILE  48  -0.002  -1.951  -1.951
  426    HA   ILE  48            HA      ILE  48  -1.673  -1.719  -1.719
  427    HB   ILE  48            HB      ILE  48  -3.529  -3.074  -3.074
  428   1HG1  ILE  48          HG12      ILE  48  -2.184  -2.030  -2.030
  429   2HG1  ILE  48          HG11      ILE  48  -2.172  -3.716  -3.716
  430   1HG2  ILE  48          HG22      ILE  48  -3.340  -0.456  -0.456
  431   2HG2  ILE  48          HG21      ILE  48  -3.327  -0.422  -0.422
  432   3HG2  ILE  48          HG23      ILE  48  -4.692  -1.136  -1.136
  433   1HD1  ILE  48          HD11      ILE  48  -4.799  -3.362  -3.362
  434   2HD1  ILE  48          HD13      ILE  48  -4.442  -2.059  -2.059
  435   3HD1  ILE  48          HD12      ILE  48  -3.996  -3.719  -3.719
  436    HA   PRO  49            HA      PRO  49   0.510  -5.525  -5.525
  437   1HB   PRO  49           HB2      PRO  49  -0.940  -6.665  -6.665
  438   2HB   PRO  49           HB1      PRO  49   0.311  -5.426  -5.426
  439   1HG   PRO  49           HG2      PRO  49  -2.676  -5.136  -5.136
  440   2HG   PRO  49           HG1      PRO  49  -1.431  -4.190  -4.190
  441   1HD   PRO  49           HD2      PRO  49  -2.774  -3.333  -3.333
  442   2HD   PRO  49           HD1      PRO  49  -1.273  -2.665  -2.665
  443    H    LYS  50            HN      LYS  50   0.300  -6.954  -6.954
  444    HA   LYS  50            HA      LYS  50  -1.981  -7.878  -7.878
  445   1HB   LYS  50           HB2      LYS  50   0.346  -8.085  -8.085
  446   2HB   LYS  50           HB1      LYS  50   0.634  -9.294  -9.294
  447   1HG   LYS  50           HG2      LYS  50  -1.164 -10.693 -10.693
  448   2HG   LYS  50           HG1      LYS  50  -1.221  -9.519  -9.519
  449   1HD   LYS  50           HD2      LYS  50   0.919 -10.043 -10.043
  450   2HD   LYS  50           HD1      LYS  50   1.445 -10.598 -10.598
  451   1HE   LYS  50           HE2      LYS  50   0.118 -12.630 -12.630
  452   2HE   LYS  50           HE1      LYS  50  -0.569 -12.058 -12.058
  453   1HZ   LYS  50           HZ1      LYS  50   1.745 -11.984 -11.984
  454   2HZ   LYS  50           HZ3      LYS  50   2.260 -12.761 -12.761
  455   3HZ   LYS  50           HZ2      LYS  50   1.185 -13.547 -13.547
  456    H    ASN  51            HN      ASN  51  -0.910  -8.890  -8.890
  457    HA   ASN  51            HA      ASN  51  -1.893 -11.470 -11.470
  458   1HB   ASN  51           HB2      ASN  51  -1.224  -9.426  -9.426
  459   2HB   ASN  51           HB1      ASN  51  -2.188 -10.744 -10.744
  460   1HD2  ASN  51          HD22      ASN  51   0.658 -12.770 -12.770
  461   2HD2  ASN  51          HD21      ASN  51  -0.863 -12.307 -12.307
  462    H    TYR  52            HN      TYR  52  -3.433  -8.414  -8.414
  463    HA   TYR  52            HA      TYR  52  -6.070  -9.634  -9.634
  464   1HB   TYR  52           HB2      TYR  52  -5.002  -6.813  -6.813
  465   2HB   TYR  52           HB1      TYR  52  -6.719  -7.139  -7.139
  466    HD1  TYR  52           HD2      TYR  52  -3.642  -8.528  -8.528
  467    HD2  TYR  52           HD1      TYR  52  -7.574  -6.927  -6.927
  468    HE1  TYR  52           HE2      TYR  52  -3.500  -8.726  -8.726
  469    HE2  TYR  52           HE1      TYR  52  -7.431  -7.080  -7.080
  470    HH   TYR  52            HH      TYR  52  -5.220  -7.153  -7.153
  471    H    ILE  53            HN      ILE  53  -4.655  -9.915  -9.915
  472    HA   ILE  53            HA      ILE  53  -6.718  -8.893  -8.893
  473    HB   ILE  53            HB      ILE  53  -4.164  -8.223  -8.223
  474   1HG1  ILE  53          HG12      ILE  53  -5.121  -6.577  -6.577
  475   2HG1  ILE  53          HG11      ILE  53  -3.677  -7.584  -7.584
  476   1HG2  ILE  53          HG23      ILE  53  -6.620  -7.625  -7.625
  477   2HG2  ILE  53          HG22      ILE  53  -6.383  -6.288  -6.288
  478   3HG2  ILE  53          HG21      ILE  53  -5.317  -6.484  -6.484
  479   1HD1  ILE  53          HD11      ILE  53  -3.695  -5.852  -5.852
  480   2HD1  ILE  53          HD13      ILE  53  -3.892  -4.911  -4.911
  481   3HD1  ILE  53          HD12      ILE  53  -2.499  -5.969  -5.969
  482    H    GLU  54            HN      GLU  54  -6.160  -9.430  -9.430
  483    HA   GLU  54            HA      GLU  54  -4.451 -11.659 -11.659
  484   1HB   GLU  54           HB2      GLU  54  -7.264 -12.022 -12.022
  485   2HB   GLU  54           HB1      GLU  54  -6.827 -12.457 -12.457
  486   1HG   GLU  54           HG2      GLU  54  -4.812 -13.673 -13.673
  487   2HG   GLU  54           HG1      GLU  54  -6.029 -13.732 -13.732
  488    H    MET  55            HN      MET  55  -4.294 -12.047 -12.047
  489    HA   MET  55            HA      MET  55  -4.588  -9.434  -9.434
  490   1HB   MET  55           HB2      MET  55  -2.436 -10.926 -10.926
  491   2HB   MET  55           HB1      MET  55  -3.184 -11.775 -11.775
  492   1HG   MET  55           HG2      MET  55  -3.273  -9.773  -9.773
  493   2HG   MET  55           HG1      MET  55  -2.830  -8.772  -8.772
  494   1HE   MET  55           HE3      MET  55  -1.143  -7.679  -7.679
  495   2HE   MET  55           HE2      MET  55   0.221  -8.487  -8.487
  496   3HE   MET  55           HE1      MET  55  -1.417  -8.820  -8.820
  497    H    LYS  56            HN      LYS  56  -6.465  -9.157  -9.157
  498    HA   LYS  56            HA      LYS  56  -7.544 -11.387 -11.387
  499   1HB   LYS  56           HB2      LYS  56  -8.693  -9.000  -9.000
  500   2HB   LYS  56           HB1      LYS  56  -9.432  -9.592  -9.592
  501   1HG   LYS  56           HG2      LYS  56  -9.791 -11.761 -11.761
  502   2HG   LYS  56           HG1      LYS  56  -8.798 -11.352 -11.352
  503   1HD   LYS  56           HD2      LYS  56 -11.178 -11.183 -11.183
  504   2HD   LYS  56           HD1      LYS  56 -10.432  -9.586  -9.586
  505   1HE   LYS  56           HE2      LYS  56 -12.584  -9.468  -9.468
  506   2HE   LYS  56           HE1      LYS  56 -11.263  -9.180  -9.180
  507   1HZ   LYS  56           HZ2      LYS  56 -12.278 -11.916 -11.916
  508   2HZ   LYS  56           HZ1      LYS  56 -13.141 -10.842 -10.842
  509   3HZ   LYS  56           HZ3      LYS  56 -11.532 -11.229 -11.229
  510    HA   PRO  57            HA      PRO  57  -6.529  -9.417  -9.417
  511   1HB   PRO  57           HB2      PRO  57  -8.413 -10.415 -10.415
  512   2HB   PRO  57           HB1      PRO  57  -7.002 -11.326 -11.326
  513   1HG   PRO  57           HG2      PRO  57  -9.825 -11.548 -11.548
  514   2HG   PRO  57           HG1      PRO  57  -8.544 -12.747 -12.747
  515   1HD   PRO  57           HD2      PRO  57  -9.509 -11.234 -11.234
  516   2HD   PRO  57           HD1      PRO  57  -8.037 -12.229 -12.229
  517    H    HIS  58            HN      HIS  58  -8.126  -8.497  -8.497
  518    HA   HIS  58            HA      HIS  58  -9.992  -6.562  -6.562
  519   1HB   HIS  58           HB2      HIS  58  -9.247  -4.887  -4.887
  520   2HB   HIS  58           HB1      HIS  58  -7.964  -5.352  -5.352
  521    HD1  HIS  58           HD1      HIS  58  -8.894  -5.384  -5.384
  522    HD2  HIS  58           HD2      HIS  58  -6.047  -7.235  -7.235
  523    HE1  HIS  58           HE1      HIS  58  -7.158  -6.367  -6.367
  524    HA   PRO  59            HA      PRO  59 -12.836  -7.876  -7.876
  525   1HB   PRO  59           HB2      PRO  59 -14.436  -5.651  -5.651
  526   2HB   PRO  59           HB1      PRO  59 -14.503  -6.770  -6.770
  527   1HG   PRO  59           HG2      PRO  59 -13.338  -4.024  -4.024
  528   2HG   PRO  59           HG1      PRO  59 -13.973  -4.910  -4.910
  529   1HD   PRO  59           HD2      PRO  59 -11.229  -4.569  -4.569
  530   2HD   PRO  59           HD1      PRO  59 -11.889  -5.695  -5.695
  531    H    GLU  60            HN      GLU  60 -13.852  -7.031  -7.031
  532    HA   GLU  60            HA      GLU  60 -11.902  -5.282  -5.282
  533   1HB   GLU  60           HB2      GLU  60 -11.862  -7.986  -7.986
  534   2HB   GLU  60           HB1      GLU  60 -13.046  -7.550  -7.550
  535   1HG   GLU  60           HG2      GLU  60 -11.158  -7.253  -7.253
  536   2HG   GLU  60           HG1      GLU  60 -11.185  -5.664  -5.664
  537    H    PHE  61            HN      PHE  61 -12.845  -4.554  -4.554
  538    HA   PHE  61            HA      PHE  61 -14.553  -3.452  -3.452
  539   1HB   PHE  61           HB2      PHE  61 -15.583  -6.042  -6.042
  540   2HB   PHE  61           HB1      PHE  61 -16.890  -4.862  -4.862
  541    HD1  PHE  61           HD2      PHE  61 -17.540  -3.555  -3.555
  542    HD2  PHE  61           HD1      PHE  61 -14.539  -6.620  -6.620
  543    HE1  PHE  61           HE2      PHE  61 -17.726  -3.576  -3.576
  544    HE2  PHE  61           HE1      PHE  61 -14.723  -6.642  -6.642
  545    HZ   PHE  61            HZ      PHE  61 -16.316  -5.120  -5.120
  546    H    ILE  62            HN      ILE  62 -16.931  -2.490  -2.490
  547    HA   ILE  62            HA      ILE  62 -17.129  -1.632  -1.632
  548    HB   ILE  62            HB      ILE  62 -15.772   0.084   0.084
  549   1HG1  ILE  62          HG12      ILE  62 -17.963   1.858   1.858
  550   2HG1  ILE  62          HG11      ILE  62 -18.339   0.549   0.549
  551   1HG2  ILE  62          HG22      ILE  62 -17.181  -0.501  -0.501
  552   2HG2  ILE  62          HG21      ILE  62 -18.084   0.916   0.916
  553   3HG2  ILE  62          HG23      ILE  62 -16.354   1.042   1.042
  554   1HD1  ILE  62          HD13      ILE  62 -15.876   0.827   0.827
  555   2HD1  ILE  62          HD12      ILE  62 -15.961   2.396   2.396
  556   3HD1  ILE  62          HD11      ILE  62 -17.065   2.020   2.020
  557    H    VAL  63            HN      VAL  63 -18.772  -3.484  -3.484
  558    HA   VAL  63            HA      VAL  63 -21.377  -2.386  -2.386
  559    HB   VAL  63            HB      VAL  63 -20.949  -1.265  -1.265
  560   1HG1  VAL  63          HG12      VAL  63 -20.560  -4.092  -4.092
  561   2HG1  VAL  63          HG11      VAL  63 -20.673  -2.654  -2.654
  562   3HG1  VAL  63          HG13      VAL  63 -19.323  -2.840  -2.840
  563   1HG2  VAL  63          HG23      VAL  63 -22.926  -3.565  -3.565
  564   2HG2  VAL  63          HG22      VAL  63 -23.251  -1.955  -1.955
  565   3HG2  VAL  63          HG21      VAL  63 -22.918  -2.169  -2.169
  566    H    THR  64            HN      THR  64 -22.819  -4.078  -4.078
  567    HA   THR  64            HA      THR  64 -21.768  -6.813  -6.813
  568    HB   THR  64            HB      THR  64 -24.019  -6.117  -6.117
  569    HG1  THR  64           HG1      THR  64 -21.252  -6.373  -6.373
  570   1HG2  THR  64          HG23      THR  64 -23.374  -8.515  -8.515
  571   2HG2  THR  64          HG22      THR  64 -22.104  -8.397  -8.397
  572   3HG2  THR  64          HG21      THR  64 -23.797  -8.289  -8.289
  573    H    ASP  65            HN      ASP  65 -24.515  -4.656  -4.656
  574    HA   ASP  65            HA      ASP  65 -26.220  -6.704  -6.704
  575   1HB   ASP  65           HB2      ASP  65 -26.367  -3.708  -3.708
  576   2HB   ASP  65           HB1      ASP  65 -27.499  -4.564  -4.564
  577   1H    SER   1           HT2      SER   1  -9.539 -20.777 -20.777
  578   2H    SER   1           HT1      SER   1  -8.488 -22.108 -22.108
  579   3H    SER   1           HT3      SER   1 -10.053 -22.228 -22.228
  580    HA   SER   1            HA      SER   1  -9.548 -21.196 -21.196
  581   1HB   SER   1           HB2      SER   1  -6.638 -21.497 -21.497
  582   2HB   SER   1           HB1      SER   1  -7.634 -22.115 -22.115
  583    HG   SER   1            HG      SER   1  -8.499 -23.599 -23.599
  584    HA   PRO   2            HA      PRO   2  -6.720 -17.485 -17.485
  585   1HB   PRO   2           HB2      PRO   2  -5.713 -17.179 -17.179
  586   2HB   PRO   2           HB1      PRO   2  -4.863 -18.046 -18.046
  587   1HG   PRO   2           HG2      PRO   2  -6.275 -19.153 -19.153
  588   2HG   PRO   2           HG1      PRO   2  -4.961 -19.862 -19.862
  589   1HD   PRO   2           HD2      PRO   2  -7.715 -20.538 -20.538
  590   2HD   PRO   2           HD1      PRO   2  -6.436 -21.040 -21.040
  591    H    LEU   3            HN      LEU   3  -7.471 -15.401 -15.401
  592    HA   LEU   3            HA      LEU   3  -9.896 -15.459 -15.459
  593   1HB   LEU   3           HB2      LEU   3 -10.258 -14.591 -14.591
  594   2HB   LEU   3           HB1      LEU   3  -8.980 -13.403 -13.403
  595    HG   LEU   3            HG      LEU   3 -10.724 -13.073 -13.073
  596   1HD1  LEU   3          HD13      LEU   3 -12.279 -14.414 -14.414
  597   2HD1  LEU   3          HD12      LEU   3 -12.388 -12.867 -12.867
  598   3HD1  LEU   3          HD11      LEU   3 -12.907 -12.997 -12.997
  599   1HD2  LEU   3          HD23      LEU   3 -10.361 -11.503 -11.503
  600   2HD2  LEU   3          HD22      LEU   3  -9.516 -11.249 -11.249
  601   3HD2  LEU   3          HD21      LEU   3 -11.240 -10.894 -10.894
  602    H    LEU   4            HN      LEU   4  -7.679 -12.755 -12.755
  603    HA   LEU   4            HA      LEU   4  -6.748 -12.677 -12.677
  604   1HB   LEU   4           HB2      LEU   4  -8.754 -10.798 -10.798
  605   2HB   LEU   4           HB1      LEU   4  -7.456 -10.080 -10.080
  606    HG   LEU   4            HG      LEU   4  -9.191 -12.387 -12.387
  607   1HD1  LEU   4          HD12      LEU   4  -9.374  -9.406  -9.406
  608   2HD1  LEU   4          HD11      LEU   4  -9.973 -10.501 -10.501
  609   3HD1  LEU   4          HD13      LEU   4 -10.658 -10.553 -10.553
  610   1HD2  LEU   4          HD23      LEU   4  -6.977 -10.746 -10.746
  611   2HD2  LEU   4          HD22      LEU   4  -7.140 -12.500 -12.500
  612   3HD2  LEU   4          HD21      LEU   4  -8.176 -11.557 -11.557
  613    HA   PRO   5            HA      PRO   5  -3.461 -11.198 -11.198
  614   1HB   PRO   5           HB2      PRO   5  -1.382 -11.718 -11.718
  615   2HB   PRO   5           HB1      PRO   5  -2.107 -12.940 -12.940
  616   1HG   PRO   5           HG2      PRO   5  -2.411 -12.591 -12.591
  617   2HG   PRO   5           HG1      PRO   5  -2.572 -14.060 -14.060
  618   1HD   PRO   5           HD2      PRO   5  -4.710 -12.506 -12.506
  619   2HD   PRO   5           HD1      PRO   5  -4.837 -13.776 -13.776
  620    H    LYS   6            HN      LYS   6  -2.227  -9.242  -9.242
  621    HA   LYS   6            HA      LYS   6  -2.837  -7.409  -7.409
  622   1HB   LYS   6           HB2      LYS   6  -2.568  -7.109  -7.109
  623   2HB   LYS   6           HB1      LYS   6  -1.724  -5.856  -5.856
  624   1HG   LYS   6           HG2      LYS   6  -4.475  -6.557  -6.557
  625   2HG   LYS   6           HG1      LYS   6  -4.330  -5.657  -5.657
  626   1HD   LYS   6           HD2      LYS   6  -2.601  -4.236  -4.236
  627   2HD   LYS   6           HD1      LYS   6  -3.649  -4.819  -4.819
  628   1HE   LYS   6           HE2      LYS   6  -5.598  -4.045  -4.045
  629   2HE   LYS   6           HE1      LYS   6  -4.357  -3.093  -3.093
  630   1HZ   LYS   6           HZ1      LYS   6  -3.760  -2.252  -2.252
  631   2HZ   LYS   6           HZ3      LYS   6  -5.215  -2.932  -2.932
  632   3HZ   LYS   6           HZ2      LYS   6  -5.239  -1.707  -1.707
  633    H    LEU   7            HN      LEU   7  -0.911  -9.031  -9.031
  634    HA   LEU   7            HA      LEU   7   1.294  -9.114  -9.114
  635   1HB   LEU   7           HB2      LEU   7   1.236  -6.156  -6.156
  636   2HB   LEU   7           HB1      LEU   7   2.408  -6.930  -6.930
  637    HG   LEU   7            HG      LEU   7   0.789  -5.901  -5.901
  638   1HD1  LEU   7          HD11      LEU   7   0.107  -8.848  -8.848
  639   2HD1  LEU   7          HD13      LEU   7  -0.324  -7.837  -7.837
  640   3HD1  LEU   7          HD12      LEU   7   1.375  -8.150  -8.150
  641   1HD2  LEU   7          HD23      LEU   7  -0.942  -5.868  -5.868
  642   2HD2  LEU   7          HD22      LEU   7  -1.520  -5.861  -5.861
  643   3HD2  LEU   7          HD21      LEU   7  -1.520  -7.361  -7.361
  644    HA   PRO   8            HA      PRO   8   2.906  -9.066  -9.066
  645   1HB   PRO   8           HB2      PRO   8   2.841 -11.772 -11.772
  646   2HB   PRO   8           HB1      PRO   8   1.499 -10.682 -10.682
  647   1HG   PRO   8           HG2      PRO   8   1.731 -12.644 -12.644
  648   2HG   PRO   8           HG1      PRO   8   0.276 -12.012 -12.012
  649   1HD   PRO   8           HD2      PRO   8   1.309 -11.169 -11.169
  650   2HD   PRO   8           HD1      PRO   8   0.047 -10.359 -10.359
  651    HA   PRO   9            HA      PRO   9   6.699 -10.329 -10.329
  652   1HB   PRO   9           HB2      PRO   9   8.433  -8.782  -8.782
  653   2HB   PRO   9           HB1      PRO   9   7.492  -8.165  -8.165
  654   1HG   PRO   9           HG2      PRO   9   7.076  -7.701  -7.701
  655   2HG   PRO   9           HG1      PRO   9   6.596  -6.693  -6.693
  656   1HD   PRO   9           HD2      PRO   9   4.894  -8.424  -8.424
  657   2HD   PRO   9           HD1      PRO   9   4.505  -7.635  -7.635
  658    H    LYS  10            HN      LYS  10   8.724 -11.465 -11.465
  659    HA   LYS  10            HA      LYS  10   8.770 -12.322 -12.322
  660   1HB   LYS  10           HB2      LYS  10   8.254 -14.215 -14.215
  661   2HB   LYS  10           HB1      LYS  10   8.830 -14.766 -14.766
  662   1HG   LYS  10           HG2      LYS  10   6.860 -13.691 -13.691
  663   2HG   LYS  10           HG1      LYS  10   6.267 -13.231 -13.231
  664   1HD   LYS  10           HD2      LYS  10   5.440 -15.301 -15.301
  665   2HD   LYS  10           HD1      LYS  10   6.937 -16.077 -16.077
  666   1HE   LYS  10           HE2      LYS  10   4.975 -16.687 -16.687
  667   2HE   LYS  10           HE1      LYS  10   6.275 -15.913 -15.913
  668   1HZ   LYS  10           HZ2      LYS  10   4.022 -14.367 -14.367
  669   2HZ   LYS  10           HZ1      LYS  10   3.934 -15.080 -15.080
  670   3HZ   LYS  10           HZ3      LYS  10   5.112 -13.905 -13.905
  671    H    THR  11            HN      THR  11  10.501 -14.635 -14.635
  672    HA   THR  11            HA      THR  11  12.793 -13.219 -13.219
  673    HB   THR  11            HB      THR  11  14.090 -14.235 -14.235
  674    HG1  THR  11           HG1      THR  11  12.900 -13.832 -13.832
  675   1HG2  THR  11          HG23      THR  11  13.371 -11.600 -11.600
  676   2HG2  THR  11          HG22      THR  11  13.696 -11.586 -11.586
  677   3HG2  THR  11          HG21      THR  11  14.919 -12.183 -12.183
  678    H    TYR  12            HN      TYR  12  14.799 -14.817 -14.817
  679    HA   TYR  12            HA      TYR  12  15.652 -16.891 -16.891
  680   1HB   TYR  12           HB2      TYR  12  14.095 -17.377 -17.377
  681   2HB   TYR  12           HB1      TYR  12  13.544 -18.584 -18.584
  682    HD1  TYR  12           HD1      TYR  12  16.652 -17.118 -17.118
  683    HD2  TYR  12           HD2      TYR  12  14.828 -20.518 -20.518
  684    HE1  TYR  12           HE1      TYR  12  18.705 -18.448 -18.448
  685    HE2  TYR  12           HE2      TYR  12  16.881 -21.847 -21.847
  686    HH   TYR  12            HH      TYR  12  18.973 -21.409 -21.409
  687    H    LYS  13            HN      LYS  13  14.308 -19.262 -19.262
  688    HA   LYS  13            HA      LYS  13  13.319 -18.512 -18.512
  689   1HB   LYS  13           HB2      LYS  13  14.490 -20.726 -20.726
  690   2HB   LYS  13           HB1      LYS  13  12.838 -21.229 -21.229
  691   1HG   LYS  13           HG2      LYS  13  12.325 -21.503 -21.503
  692   2HG   LYS  13           HG1      LYS  13  13.097 -19.984 -19.984
  693   1HD   LYS  13           HD2      LYS  13  15.172 -20.976 -20.976
  694   2HD   LYS  13           HD1      LYS  13  14.835 -22.297 -22.297
  695   1HE   LYS  13           HE2      LYS  13  14.056 -23.597 -23.597
  696   2HE   LYS  13           HE1      LYS  13  12.956 -22.333 -22.333
  697   1HZ   LYS  13           HZ2      LYS  13  14.868 -21.279 -21.279
  698   2HZ   LYS  13           HZ1      LYS  13  15.827 -22.614 -22.614
  699   3HZ   LYS  13           HZ3      LYS  13  14.506 -22.820 -22.820
  700    H    ARG  14            HN      ARG  14  11.253 -18.031 -18.031
  701    HA   ARG  14            HA      ARG  14   9.155 -17.808 -17.808
  702   1HB   ARG  14           HB2      ARG  14   8.966 -17.893 -17.893
  703   2HB   ARG  14           HB1      ARG  14   7.701 -17.326 -17.326
  704   1HG   ARG  14           HG2      ARG  14  10.453 -16.124 -16.124
  705   2HG   ARG  14           HG1      ARG  14   9.321 -15.577 -15.577
  706   1HD   ARG  14           HD2      ARG  14   7.631 -15.343 -15.343
  707   2HD   ARG  14           HD1      ARG  14   9.058 -15.402 -15.402
  708    HE   ARG  14            HE      ARG  14   8.247 -13.147 -13.147
  709   1HH1  ARG  14          HH11      ARG  14  10.897 -13.975 -13.975
  710   2HH1  ARG  14          HH12      ARG  14  12.012 -13.066 -13.066
  711   1HH2  ARG  14          HH21      ARG  14   9.704 -12.380 -12.380
  712   2HH2  ARG  14          HH22      ARG  14  11.337 -12.163 -12.163
  713    H    GLU  15            HN      GLU  15   9.708 -20.172 -20.172
  714    HA   GLU  15            HA      GLU  15   8.061 -22.121 -22.121
  715   1HB   GLU  15           HB2      GLU  15   6.798 -20.947 -20.947
  716   2HB   GLU  15           HB1      GLU  15   7.818 -21.934 -21.934
  717   1HG   GLU  15           HG2      GLU  15   6.843 -23.918 -23.918
  718   2HG   GLU  15           HG1      GLU  15   6.418 -23.283 -23.283

  Start of MODEL   12
    1   1H    GLY  -8           HT1      GLY  -8  12.221  -5.916  -5.916
    2   2H    GLY  -8           HT3      GLY  -8  12.599  -7.569  -7.569
    3   3H    GLY  -8           HT2      GLY  -8  13.001  -6.543  -6.543
    4   1HA   GLY  -8           HA1      GLY  -8  10.833  -6.570  -6.570
    5   2HA   GLY  -8           HA2      GLY  -8  10.864  -8.225  -8.225
    6    H    SER  -7            HN      SER  -7  10.791  -4.627  -4.627
    7    HA   SER  -7            HA      SER  -7   7.901  -4.865  -4.865
    8   1HB   SER  -7           HB2      SER  -7   9.712  -2.599  -2.599
    9   2HB   SER  -7           HB1      SER  -7   8.227  -3.148  -3.148
   10    HG   SER  -7            HG      SER  -7  10.815  -4.230  -4.230
   11    H    ARG  -6            HN      ARG  -6   6.419  -3.361  -3.361
   12    HA   ARG  -6            HA      ARG  -6   7.471  -1.679  -1.679
   13   1HB   ARG  -6           HB2      ARG  -6   5.169  -1.893  -1.893
   14   2HB   ARG  -6           HB1      ARG  -6   6.001  -3.442  -3.442
   15   1HG   ARG  -6           HG2      ARG  -6   4.398  -2.596  -2.596
   16   2HG   ARG  -6           HG1      ARG  -6   3.484  -3.032  -3.032
   17   1HD   ARG  -6           HD2      ARG  -6   5.713  -4.829  -4.829
   18   2HD   ARG  -6           HD1      ARG  -6   4.187  -4.888  -4.888
   19    HE   ARG  -6            HE      ARG  -6   3.518  -5.034  -5.034
   20   1HH1  ARG  -6          HH11      ARG  -6   3.902  -6.991  -6.991
   21   2HH1  ARG  -6          HH12      ARG  -6   4.289  -8.435  -8.435
   22   1HH2  ARG  -6          HH21      ARG  -6   4.647  -6.813  -6.813
   23   2HH2  ARG  -6          HH22      ARG  -6   4.711  -8.334  -8.334
   24    H    ARG  -5            HN      ARG  -5   6.152   0.331   0.331
   25    HA   ARG  -5            HA      ARG  -5   4.925   1.395   1.395
   26   1HB   ARG  -5           HB2      ARG  -5   7.396   2.155   2.155
   27   2HB   ARG  -5           HB1      ARG  -5   6.432   3.289   3.289
   28   1HG   ARG  -5           HG2      ARG  -5   5.195   3.883   3.883
   29   2HG   ARG  -5           HG1      ARG  -5   6.359   2.898   2.898
   30   1HD   ARG  -5           HD2      ARG  -5   8.020   4.465   4.465
   31   2HD   ARG  -5           HD1      ARG  -5   6.687   5.574   5.574
   32    HE   ARG  -5            HE      ARG  -5   7.617   4.163   4.163
   33   1HH1  ARG  -5          HH21      ARG  -5   6.741   6.605   6.605
   34   2HH1  ARG  -5          HH22      ARG  -5   8.076   7.704   7.704
   35   1HH2  ARG  -5          HH11      ARG  -5   9.918   5.677   5.677
   36   2HH2  ARG  -5          HH12      ARG  -5   9.875   7.178   7.178
   37    H    ALA  -4            HN      ALA  -4   3.723   0.313   0.313
   38    HA   ALA  -4            HA      ALA  -4   2.431   2.799   2.799
   39   1HB   ALA  -4           HB3      ALA  -4   3.573   1.440   1.440
   40   2HB   ALA  -4           HB2      ALA  -4   2.608   0.040   0.040
   41   3HB   ALA  -4           HB1      ALA  -4   1.829   1.448   1.448
   42    H    SER  -3            HN      SER  -3   1.718  -0.617  -0.617
   43    HA   SER  -3            HA      SER  -3  -1.141  -0.241  -0.241
   44   1HB   SER  -3           HB2      SER  -3   0.490  -2.350  -2.350
   45   2HB   SER  -3           HB1      SER  -3  -1.221  -2.442  -2.442
   46    HG   SER  -3            HG      SER  -3   0.865  -3.139  -3.139
   47    H    VAL  -2            HN      VAL  -2  -2.437   0.483   0.483
   48    HA   VAL  -2            HA      VAL  -2  -1.125   1.029   1.029
   49    HB   VAL  -2            HB      VAL  -2  -3.386   2.607   2.607
   50   1HG1  VAL  -2          HG12      VAL  -2  -3.156   2.547   2.547
   51   2HG1  VAL  -2          HG11      VAL  -2  -1.578   3.309   3.309
   52   3HG1  VAL  -2          HG13      VAL  -2  -3.037   4.152   4.152
   53   1HG2  VAL  -2          HG22      VAL  -2  -0.398   2.911   2.911
   54   2HG2  VAL  -2          HG21      VAL  -2  -1.580   3.194   3.194
   55   3HG2  VAL  -2          HG23      VAL  -2  -1.406   4.357   4.357
   56    H    GLY  -1            HN      GLY  -1  -2.340   0.526   0.526
   57   1HA   GLY  -1           HA2      GLY  -1  -4.945   0.058   0.058
   58   2HA   GLY  -1           HA1      GLY  -1  -4.554  -1.378  -1.378
   59    H    SER   0            HN      SER   0  -4.136   0.221   0.221
   60    HA   SER   0            HA      SER   0  -2.086  -1.460  -1.460
   61   1HB   SER   0           HB2      SER   0  -3.296  -0.763  -0.763
   62   2HB   SER   0           HB1      SER   0  -2.489   0.474   0.474
   63    HG   SER   0            HG      SER   0  -4.555   1.173   1.173
   64    H    MET   1            HN      MET   1  -2.734  -2.859  -2.859
   65    HA   MET   1            HA      MET   1  -4.851  -4.749  -4.749
   66   1HB   MET   1           HB2      MET   1  -2.224  -5.118  -5.118
   67   2HB   MET   1           HB1      MET   1  -3.527  -6.243  -6.243
   68   1HG   MET   1           HG2      MET   1  -3.460  -7.248  -7.248
   69   2HG   MET   1           HG1      MET   1  -3.288  -5.725  -5.725
   70   1HE   MET   1           HE2      MET   1  -2.037  -8.580  -8.580
   71   2HE   MET   1           HE1      MET   1  -0.375  -8.836  -8.836
   72   3HE   MET   1           HE3      MET   1  -0.712  -7.866  -7.866
   73    H    GLU   2            HN      GLU   2  -5.457  -6.145  -6.145
   74    HA   GLU   2            HA      GLU   2  -6.277  -4.057  -4.057
   75   1HB   GLU   2           HB2      GLU   2  -7.919  -5.529  -5.529
   76   2HB   GLU   2           HB1      GLU   2  -8.049  -6.364  -6.364
   77   1HG   GLU   2           HG2      GLU   2  -8.765  -4.364  -4.364
   78   2HG   GLU   2           HG1      GLU   2  -8.364  -3.370  -3.370
   79    H    ALA   3            HN      ALA   3  -7.086  -5.313  -5.313
   80    HA   ALA   3            HA      ALA   3  -5.723  -7.807  -7.807
   81   1HB   ALA   3           HB2      ALA   3  -4.499  -5.298  -5.298
   82   2HB   ALA   3           HB1      ALA   3  -4.845  -6.142  -6.142
   83   3HB   ALA   3           HB3      ALA   3  -3.881  -6.928  -6.928
   84    H    ILE   4            HN      ILE   4  -7.233  -8.846  -8.846
   85    HA   ILE   4            HA      ILE   4  -9.514  -7.678  -7.678
   86    HB   ILE   4            HB      ILE   4  -9.622  -9.824  -9.824
   87   1HG1  ILE   4          HG12      ILE   4  -9.926 -10.765 -10.765
   88   2HG1  ILE   4          HG11      ILE   4 -10.677  -9.195  -9.195
   89   1HG2  ILE   4          HG23      ILE   4  -7.136 -10.248 -10.248
   90   2HG2  ILE   4          HG22      ILE   4  -8.202 -11.349 -11.349
   91   3HG2  ILE   4          HG21      ILE   4  -8.090 -11.434 -11.434
   92   1HD1  ILE   4          HD11      ILE   4 -11.058 -11.491 -11.491
   93   2HD1  ILE   4          HD13      ILE   4 -12.079 -11.278 -11.278
   94   3HD1  ILE   4          HD12      ILE   4 -12.028 -10.030 -10.030
   95    H    ALA   5            HN      ALA   5  -9.638  -6.719  -6.719
   96    HA   ALA   5            HA      ALA   5  -7.678  -7.053  -7.053
   97   1HB   ALA   5           HB1      ALA   5 -10.333  -5.625  -5.625
   98   2HB   ALA   5           HB3      ALA   5  -9.560  -5.828  -5.828
   99   3HB   ALA   5           HB2      ALA   5  -8.736  -4.933  -4.933
  100    H    LYS   6            HN      LYS   6  -7.685  -9.027  -9.027
  101    HA   LYS   6            HA      LYS   6  -9.923 -10.817 -10.817
  102   1HB   LYS   6           HB2      LYS   6  -7.486 -10.832 -10.832
  103   2HB   LYS   6           HB1      LYS   6  -8.569 -12.191 -12.191
  104   1HG   LYS   6           HG2      LYS   6  -7.831 -12.468 -12.468
  105   2HG   LYS   6           HG1      LYS   6  -7.265 -10.801 -10.801
  106   1HD   LYS   6           HD2      LYS   6  -5.349 -12.286 -12.286
  107   2HD   LYS   6           HD1      LYS   6  -5.461 -11.326 -11.326
  108   1HE   LYS   6           HE2      LYS   6  -6.056 -13.143 -13.143
  109   2HE   LYS   6           HE1      LYS   6  -6.891 -13.947 -13.947
  110   1HZ   LYS   6           HZ1      LYS   6  -3.946 -13.686 -13.686
  111   2HZ   LYS   6           HZ3      LYS   6  -4.845 -15.093 -15.093
  112   3HZ   LYS   6           HZ2      LYS   6  -4.753 -14.464 -14.464
  113    H    TYR   7            HN      TYR   7  -8.873  -8.311  -8.311
  114    HA   TYR   7            HA      TYR   7 -11.297  -8.860  -8.860
  115   1HB   TYR   7           HB2      TYR   7  -8.692  -8.331  -8.331
  116   2HB   TYR   7           HB1      TYR   7 -10.165  -9.043  -9.043
  117    HD1  TYR   7           HD2      TYR   7 -10.884 -11.333 -11.333
  118    HD2  TYR   7           HD1      TYR   7  -6.928  -9.694  -9.694
  119    HE1  TYR   7           HE2      TYR   7  -9.972 -13.593 -13.593
  120    HE2  TYR   7           HE1      TYR   7  -6.008 -11.940 -11.940
  121    HH   TYR   7            HH      TYR   7  -7.664 -14.404 -14.404
  122    H    ASP   8            HN      ASP   8 -11.154  -7.165  -7.165
  123    HA   ASP   8            HA      ASP   8 -11.384  -4.571  -4.571
  124   1HB   ASP   8           HB2      ASP   8 -12.211  -5.888  -5.888
  125   2HB   ASP   8           HB1      ASP   8 -11.566  -4.277  -4.277
  126    H    PHE   9            HN      PHE   9 -10.311  -2.654  -2.654
  127    HA   PHE   9            HA      PHE   9  -8.065  -2.732  -2.732
  128   1HB   PHE   9           HB2      PHE   9  -7.360  -3.998  -3.998
  129   2HB   PHE   9           HB1      PHE   9  -6.908  -2.340  -2.340
  130    HD1  PHE   9           HD2      PHE   9  -6.878  -4.236  -4.236
  131    HD2  PHE   9           HD1      PHE   9  -4.588  -2.160  -2.160
  132    HE1  PHE   9           HE2      PHE   9  -4.836  -4.466  -4.466
  133    HE2  PHE   9           HE1      PHE   9  -2.550  -2.386  -2.386
  134    HZ   PHE   9            HZ      PHE   9  -2.678  -3.537  -3.537
  135    H    LYS  10            HN      LYS  10  -6.573  -0.719  -0.719
  136    HA   LYS  10            HA      LYS  10  -8.022   1.470   1.470
  137   1HB   LYS  10           HB2      LYS  10  -7.883   1.125   1.125
  138   2HB   LYS  10           HB1      LYS  10  -7.317   2.701   2.701
  139   1HG   LYS  10           HG2      LYS  10  -9.489   3.314   3.314
  140   2HG   LYS  10           HG1      LYS  10  -9.620   2.288   2.288
  141   1HD   LYS  10           HD2      LYS  10 -11.349   1.605   1.605
  142   2HD   LYS  10           HD1      LYS  10 -10.111   0.349   0.349
  143   1HE   LYS  10           HE2      LYS  10  -9.088   1.489   1.489
  144   2HE   LYS  10           HE1      LYS  10 -10.508   2.535   2.535
  145   1HZ   LYS  10           HZ3      LYS  10 -11.851   0.424   0.424
  146   2HZ   LYS  10           HZ2      LYS  10 -10.399  -0.404  -0.404
  147   3HZ   LYS  10           HZ1      LYS  10 -10.967   0.761   0.761
  148    H    ALA  11            HN      ALA  11  -6.742   3.392   3.392
  149    HA   ALA  11            HA      ALA  11  -4.020   2.720   2.720
  150   1HB   ALA  11           HB1      ALA  11  -5.403   4.430   4.430
  151   2HB   ALA  11           HB3      ALA  11  -5.192   5.493   5.493
  152   3HB   ALA  11           HB2      ALA  11  -3.785   4.969   4.969
  153    H    THR  12            HN      THR  12  -2.250   2.979   2.979
  154    HA   THR  12            HA      THR  12  -2.780   4.235   4.235
  155    HB   THR  12            HB      THR  12  -0.620   2.932   2.932
  156    HG1  THR  12           HG1      THR  12  -0.332   1.120   1.120
  157   1HG2  THR  12          HG22      THR  12  -3.371   1.890   1.890
  158   2HG2  THR  12          HG21      THR  12  -2.116   0.714   0.714
  159   3HG2  THR  12          HG23      THR  12  -2.485   2.028   2.028
  160    H    ALA  13            HN      ALA  13  -0.021   3.831   3.831
  161    HA   ALA  13            HA      ALA  13   1.462   6.061   6.061
  162   1HB   ALA  13           HB3      ALA  13   1.594   4.412   4.412
  163   2HB   ALA  13           HB2      ALA  13   2.487   5.934   5.934
  164   3HB   ALA  13           HB1      ALA  13   2.824   4.665   4.665
  165    H    ASP  14            HN      ASP  14   2.094   7.836   7.836
  166    HA   ASP  14            HA      ASP  14  -0.292   9.409   9.409
  167   1HB   ASP  14           HB2      ASP  14   2.115  10.037  10.037
  168   2HB   ASP  14           HB1      ASP  14   2.417  10.151  10.151
  169    H    ASP  15            HN      ASP  15   1.116   7.024   7.024
  170    HA   ASP  15            HA      ASP  15  -0.100   8.088   8.088
  171   1HB   ASP  15           HB2      ASP  15   2.707   7.148   7.148
  172   2HB   ASP  15           HB1      ASP  15   1.900   6.886   6.886
  173    H    GLU  16            HN      GLU  16  -0.907   6.081   6.081
  174    HA   GLU  16            HA      GLU  16  -0.686   3.532   3.532
  175   1HB   GLU  16           HB2      GLU  16  -0.403   3.782   3.782
  176   2HB   GLU  16           HB1      GLU  16  -2.155   3.943   3.943
  177   1HG   GLU  16           HG2      GLU  16  -2.516   1.767   1.767
  178   2HG   GLU  16           HG1      GLU  16  -1.012   1.680   1.680
  179    H    LEU  17            HN      LEU  17  -2.874   2.249   2.249
  180    HA   LEU  17            HA      LEU  17  -5.053   4.113   4.113
  181   1HB   LEU  17           HB2      LEU  17  -3.651   2.661   2.661
  182   2HB   LEU  17           HB1      LEU  17  -4.829   1.444   1.444
  183    HG   LEU  17            HG      LEU  17  -5.554   4.223   4.223
  184   1HD1  LEU  17          HD11      LEU  17  -5.149   1.601   1.601
  185   2HD1  LEU  17          HD13      LEU  17  -6.417   2.700   2.700
  186   3HD1  LEU  17          HD12      LEU  17  -4.744   3.235   3.235
  187   1HD2  LEU  17          HD21      LEU  17  -7.090   1.753   1.753
  188   2HD2  LEU  17          HD23      LEU  17  -7.355   3.418   3.418
  189   3HD2  LEU  17          HD22      LEU  17  -7.781   2.922   2.922
  190    H    SER  18            HN      SER  18  -6.993   3.762   3.762
  191    HA   SER  18            HA      SER  18  -7.321   1.538   1.538
  192   1HB   SER  18           HB2      SER  18  -9.071   2.804   2.804
  193   2HB   SER  18           HB1      SER  18  -7.986   4.020   4.020
  194    HG   SER  18            HG      SER  18  -9.336   4.545   4.545
  195    H    PHE  19            HN      PHE  19  -9.337   0.209   0.209
  196    HA   PHE  19            HA      PHE  19 -11.037   0.143   0.143
  197   1HB   PHE  19           HB2      PHE  19 -10.168  -1.900  -1.900
  198   2HB   PHE  19           HB1      PHE  19  -9.047  -0.545  -0.545
  199    HD1  PHE  19           HD1      PHE  19  -9.801  -3.636  -3.636
  200    HD2  PHE  19           HD2      PHE  19  -6.852  -0.695  -0.695
  201    HE1  PHE  19           HE1      PHE  19  -8.038  -5.007  -5.007
  202    HE2  PHE  19           HE2      PHE  19  -5.093  -2.063  -2.063
  203    HZ   PHE  19            HZ      PHE  19  -5.686  -4.220  -4.220
  204    H    LYS  20            HN      LYS  20 -12.288  -2.004  -2.004
  205    HA   LYS  20            HA      LYS  20 -12.510  -3.087  -3.087
  206   1HB   LYS  20           HB2      LYS  20 -14.662  -2.894  -2.894
  207   2HB   LYS  20           HB1      LYS  20 -14.879  -3.394  -3.394
  208   1HG   LYS  20           HG2      LYS  20 -13.609  -0.748  -0.748
  209   2HG   LYS  20           HG1      LYS  20 -15.321  -0.877  -0.877
  210   1HD   LYS  20           HD2      LYS  20 -15.269  -2.160  -2.160
  211   2HD   LYS  20           HD1      LYS  20 -13.956  -1.006  -1.006
  212   1HE   LYS  20           HE2      LYS  20 -15.384   0.857   0.857
  213   2HE   LYS  20           HE1      LYS  20 -16.662  -0.175  -0.175
  214   1HZ   LYS  20           HZ2      LYS  20 -15.682  -0.248  -0.248
  215   2HZ   LYS  20           HZ1      LYS  20 -17.084   0.566   0.566
  216   3HZ   LYS  20           HZ3      LYS  20 -16.992  -1.122  -1.122
  217    H    ARG  21            HN      ARG  21 -13.882  -5.247  -5.247
  218    HA   ARG  21            HA      ARG  21 -12.183  -7.159  -7.159
  219   1HB   ARG  21           HB2      ARG  21 -13.390  -7.518  -7.518
  220   2HB   ARG  21           HB1      ARG  21 -14.911  -7.533  -7.533
  221   1HG   ARG  21           HG2      ARG  21 -14.481  -9.586  -9.586
  222   2HG   ARG  21           HG1      ARG  21 -12.732  -9.347  -9.347
  223   1HD   ARG  21           HD2      ARG  21 -12.522 -10.211 -10.211
  224   2HD   ARG  21           HD1      ARG  21 -13.970  -9.391  -9.391
  225    HE   ARG  21            HE      ARG  21 -13.845 -12.117 -12.117
  226   1HH1  ARG  21          HH11      ARG  21 -15.847 -11.529 -11.529
  227   2HH1  ARG  21          HH12      ARG  21 -17.316 -11.387 -11.387
  228   1HH2  ARG  21          HH21      ARG  21 -15.706 -10.968 -10.968
  229   2HH2  ARG  21          HH22      ARG  21 -17.235 -11.070 -11.070
  230    H    GLY  22            HN      GLY  22 -12.260  -7.036  -7.036
  231   1HA   GLY  22           HA2      GLY  22 -13.444  -8.130  -8.130
  232   2HA   GLY  22           HA1      GLY  22 -14.937  -7.437  -7.437
  233    H    ASP  23            HN      ASP  23 -12.492  -5.151  -5.151
  234    HA   ASP  23            HA      ASP  23 -13.487  -3.603  -3.603
  235   1HB   ASP  23           HB2      ASP  23 -12.029  -3.180  -3.180
  236   2HB   ASP  23           HB1      ASP  23 -11.567  -2.128  -2.128
  237    H    ILE  24            HN      ILE  24 -12.543  -4.707  -4.707
  238    HA   ILE  24            HA      ILE  24  -9.708  -5.278  -5.278
  239    HB   ILE  24            HB      ILE  24 -11.399  -4.964  -4.964
  240   1HG1  ILE  24          HG12      ILE  24 -11.432  -7.172  -7.172
  241   2HG1  ILE  24          HG11      ILE  24 -12.807  -6.335  -6.335
  242   1HG2  ILE  24          HG21      ILE  24  -8.778  -5.509  -5.509
  243   2HG2  ILE  24          HG23      ILE  24  -9.404  -7.143  -7.143
  244   3HG2  ILE  24          HG22      ILE  24  -9.722  -6.217  -6.217
  245   1HD1  ILE  24          HD12      ILE  24 -11.682  -7.422  -7.422
  246   2HD1  ILE  24          HD11      ILE  24 -11.262  -8.638  -8.638
  247   3HD1  ILE  24          HD13      ILE  24 -12.953  -8.208  -8.208
  248    H    LEU  25            HN      LEU  25  -8.128  -3.922  -3.922
  249    HA   LEU  25            HA      LEU  25  -8.719  -1.125  -1.125
  250   1HB   LEU  25           HB2      LEU  25  -6.125  -2.439  -2.439
  251   2HB   LEU  25           HB1      LEU  25  -6.458  -0.706  -0.706
  252    HG   LEU  25            HG      LEU  25  -8.535  -1.527  -1.527
  253   1HD1  LEU  25          HD12      LEU  25  -6.363  -3.585  -3.585
  254   2HD1  LEU  25          HD11      LEU  25  -7.268  -3.115  -3.115
  255   3HD1  LEU  25          HD13      LEU  25  -8.114  -3.806  -3.806
  256   1HD2  LEU  25          HD21      LEU  25  -5.706  -0.838  -0.838
  257   2HD2  LEU  25          HD23      LEU  25  -7.078   0.257   0.257
  258   3HD2  LEU  25          HD22      LEU  25  -7.034  -0.924  -0.924
  259    H    LYS  26            HN      LYS  26  -7.010   0.026   0.026
  260    HA   LYS  26            HA      LYS  26  -6.530  -1.657  -1.657
  261   1HB   LYS  26           HB2      LYS  26  -7.965   0.498   0.498
  262   2HB   LYS  26           HB1      LYS  26  -6.449   1.370   1.370
  263   1HG   LYS  26           HG2      LYS  26  -5.878   1.078   1.078
  264   2HG   LYS  26           HG1      LYS  26  -6.164  -0.659  -0.659
  265   1HD   LYS  26           HD2      LYS  26  -8.236  -0.494  -0.494
  266   2HD   LYS  26           HD1      LYS  26  -8.634   0.960   0.960
  267   1HE   LYS  26           HE2      LYS  26  -6.563   1.290   1.290
  268   2HE   LYS  26           HE1      LYS  26  -8.193   0.968   0.968
  269   1HZ   LYS  26           HZ1      LYS  26  -8.917   2.779   2.779
  270   2HZ   LYS  26           HZ3      LYS  26  -7.279   3.180   3.180
  271   3HZ   LYS  26           HZ2      LYS  26  -8.022   3.284   3.284
  272    H    VAL  27            HN      VAL  27  -4.464  -2.506  -2.506
  273    HA   VAL  27            HA      VAL  27  -2.397  -1.139  -1.139
  274    HB   VAL  27            HB      VAL  27  -1.988  -3.303  -3.303
  275   1HG1  VAL  27          HG13      VAL  27  -0.108  -1.850  -1.850
  276   2HG1  VAL  27          HG12      VAL  27  -0.417  -3.076  -3.076
  277   3HG1  VAL  27          HG11      VAL  27   0.111  -3.560  -3.560
  278   1HG2  VAL  27          HG23      VAL  27  -3.115  -3.335  -3.335
  279   2HG2  VAL  27          HG22      VAL  27  -3.496  -4.373  -4.373
  280   3HG2  VAL  27          HG21      VAL  27  -2.017  -4.640  -4.640
  281    H    LEU  28            HN      LEU  28  -1.657   0.796   0.796
  282    HA   LEU  28            HA      LEU  28  -1.227   1.423   1.423
  283   1HB   LEU  28           HB2      LEU  28  -0.067   3.155   3.155
  284   2HB   LEU  28           HB1      LEU  28  -0.830   3.626   3.626
  285    HG   LEU  28            HG      LEU  28  -2.829   2.352   2.352
  286   1HD1  LEU  28          HD11      LEU  28  -1.217   4.486   4.486
  287   2HD1  LEU  28          HD13      LEU  28  -2.817   3.953   3.953
  288   3HD1  LEU  28          HD12      LEU  28  -1.465   2.828   2.828
  289   1HD2  LEU  28          HD22      LEU  28  -3.110   4.134   4.134
  290   2HD2  LEU  28          HD21      LEU  28  -3.957   4.486   4.486
  291   3HD2  LEU  28          HD23      LEU  28  -2.431   5.293   5.293
  292    H    ASN  29            HN      ASN  29   0.604   0.517   0.517
  293    HA   ASN  29            HA      ASN  29   3.035   0.304   0.304
  294   1HB   ASN  29           HB2      ASN  29   3.073   2.061   2.061
  295   2HB   ASN  29           HB1      ASN  29   3.251   0.663   0.663
  296   1HD2  ASN  29          HD22      ASN  29   6.729   0.905   0.905
  297   2HD2  ASN  29          HD21      ASN  29   5.476   0.989   0.989
  298    H    GLU  30            HN      GLU  30   3.394  -1.782  -1.782
  299    HA   GLU  30            HA      GLU  30   2.763  -3.826  -3.826
  300   1HB   GLU  30           HB2      GLU  30   1.933  -3.711  -3.711
  301   2HB   GLU  30           HB1      GLU  30   3.388  -4.696  -4.696
  302   1HG   GLU  30           HG2      GLU  30   2.217  -5.810  -5.810
  303   2HG   GLU  30           HG1      GLU  30   0.801  -5.341  -5.341
  304    H    GLU  31            HN      GLU  31   4.285  -5.863  -5.863
  305    HA   GLU  31            HA      GLU  31   6.504  -6.686  -6.686
  306   1HB   GLU  31           HB2      GLU  31   7.621  -3.993  -3.993
  307   2HB   GLU  31           HB1      GLU  31   8.455  -5.298  -5.298
  308   1HG   GLU  31           HG2      GLU  31   6.261  -4.780  -4.780
  309   2HG   GLU  31           HG1      GLU  31   6.751  -3.178  -3.178
  310    H    CYS  32            HN      CYS  32   8.545  -6.871  -6.871
  311    HA   CYS  32            HA      CYS  32   7.748  -8.059  -8.059
  312   1HB   CYS  32           HB2      CYS  32  10.377  -6.711  -6.711
  313   2HB   CYS  32           HB1      CYS  32  10.118  -7.725  -7.725
  314    HG   CYS  32            HG      CYS  32  11.003  -8.995  -8.995
  315    H    ASP  33            HN      ASP  33   8.014  -7.374  -7.374
  316    HA   ASP  33            HA      ASP  33   8.429  -4.737  -4.737
  317   1HB   ASP  33           HB2      ASP  33   6.139  -4.725  -4.725
  318   2HB   ASP  33           HB1      ASP  33   5.576  -5.545  -5.545
  319    H    GLN  34            HN      GLN  34   7.606  -4.461  -4.461
  320    HA   GLN  34            HA      GLN  34   8.319  -6.952  -6.952
  321   1HB   GLN  34           HB2      GLN  34   9.134  -4.499  -4.499
  322   2HB   GLN  34           HB1      GLN  34   7.636  -4.441  -4.441
  323   1HG   GLN  34           HG2      GLN  34   8.851  -6.944  -6.944
  324   2HG   GLN  34           HG1      GLN  34  10.134  -5.736  -5.736
  325   1HE2  GLN  34          HE22      GLN  34   9.043  -4.587  -4.587
  326   2HE2  GLN  34          HE21      GLN  34  10.321  -4.810  -4.810
  327    H    ASN  35            HN      ASN  35   5.927  -7.382  -7.382
  328    HA   ASN  35            HA      ASN  35   3.821  -8.247  -8.247
  329   1HB   ASN  35           HB2      ASN  35   4.856  -7.787  -7.787
  330   2HB   ASN  35           HB1      ASN  35   3.135  -8.005  -8.005
  331   1HD2  ASN  35          HD22      ASN  35   3.548 -11.490 -11.490
  332   2HD2  ASN  35          HD21      ASN  35   2.635 -10.172 -10.172
  333    H    TRP  36            HN      TRP  36   3.964  -5.712  -5.712
  334    HA   TRP  36            HA      TRP  36   1.360  -4.644  -4.644
  335   1HB   TRP  36           HB2      TRP  36   3.674  -2.714  -2.714
  336   2HB   TRP  36           HB1      TRP  36   2.003  -2.326  -2.326
  337    HD1  TRP  36           HD1      TRP  36   4.957  -4.370  -4.370
  338    HE1  TRP  36           HE1      TRP  36   4.837  -4.336  -4.336
  339    HE3  TRP  36           HE3      TRP  36   0.569  -1.790  -1.790
  340    HZ2  TRP  36           HZ2      TRP  36   3.207  -3.328  -3.328
  341    HZ3  TRP  36           HZ3      TRP  36  -0.175  -1.275  -1.275
  342    HH2  TRP  36           HH2      TRP  36   1.117  -2.050  -2.050
  343    H    TYR  37            HN      TYR  37   0.867  -2.705  -2.705
  344    HA   TYR  37            HA      TYR  37   2.136  -2.930  -2.930
  345   1HB   TYR  37           HB2      TYR  37  -0.790  -3.613  -3.613
  346   2HB   TYR  37           HB1      TYR  37  -0.121  -3.231  -3.231
  347    HD1  TYR  37           HD1      TYR  37   2.462  -4.676  -4.676
  348    HD2  TYR  37           HD2      TYR  37  -1.411  -5.824  -5.824
  349    HE1  TYR  37           HE1      TYR  37   3.027  -7.067  -7.067
  350    HE2  TYR  37           HE2      TYR  37  -0.864  -8.203  -8.203
  351    HH   TYR  37            HH      TYR  37   1.245  -9.325  -9.325
  352    H    LYS  38            HN      LYS  38   1.725  -0.976  -0.976
  353    HA   LYS  38            HA      LYS  38   0.342   1.156   1.156
  354   1HB   LYS  38           HB2      LYS  38   2.516   1.565   1.565
  355   2HB   LYS  38           HB1      LYS  38   1.496   1.450   1.450
  356   1HG   LYS  38           HG2      LYS  38  -0.038   3.131   3.131
  357   2HG   LYS  38           HG1      LYS  38   1.448   3.495   3.495
  358   1HD   LYS  38           HD2      LYS  38   1.856   3.357   3.357
  359   2HD   LYS  38           HD1      LYS  38   0.690   4.596   4.596
  360   1HE   LYS  38           HE2      LYS  38   2.474   5.908   5.908
  361   2HE   LYS  38           HE1      LYS  38   2.717   4.891   4.891
  362   1HZ   LYS  38           HZ1      LYS  38   4.039   3.391   3.391
  363   2HZ   LYS  38           HZ3      LYS  38   3.957   4.582   4.582
  364   3HZ   LYS  38           HZ2      LYS  38   4.739   4.917   4.917
  365    H    ALA  39            HN      ALA  39  -1.698   1.877   1.877
  366    HA   ALA  39            HA      ALA  39  -2.855   1.217   1.217
  367   1HB   ALA  39           HB2      ALA  39  -2.907  -0.965  -0.965
  368   2HB   ALA  39           HB1      ALA  39  -3.963  -0.189  -0.189
  369   3HB   ALA  39           HB3      ALA  39  -4.501  -0.370  -0.370
  370    H    GLU  40            HN      GLU  40  -5.391   1.354   1.354
  371    HA   GLU  40            HA      GLU  40  -6.019   3.541   3.541
  372   1HB   GLU  40           HB2      GLU  40  -5.662   5.170   5.170
  373   2HB   GLU  40           HB1      GLU  40  -4.967   4.014   4.014
  374   1HG   GLU  40           HG2      GLU  40  -7.386   3.654   3.654
  375   2HG   GLU  40           HG1      GLU  40  -7.810   5.073   5.073
  376    H    LEU  41            HN      LEU  41  -7.969   3.564   3.564
  377    HA   LEU  41            HA      LEU  41  -9.901   1.734   1.734
  378   1HB   LEU  41           HB2      LEU  41  -9.573   2.663   2.663
  379   2HB   LEU  41           HB1      LEU  41 -11.218   2.321   2.321
  380    HG   LEU  41            HG      LEU  41  -8.999   0.417   0.417
  381   1HD1  LEU  41          HD12      LEU  41 -10.554   0.752   0.752
  382   2HD1  LEU  41          HD11      LEU  41  -9.867  -0.803  -0.803
  383   3HD1  LEU  41          HD13      LEU  41  -8.811   0.582   0.582
  384   1HD2  LEU  41          HD23      LEU  41 -11.263   0.313   0.313
  385   2HD2  LEU  41          HD22      LEU  41 -10.829  -1.144  -1.144
  386   3HD2  LEU  41          HD21      LEU  41 -11.953   0.022   0.022
  387    H    ASN  42            HN      ASN  42 -10.672   2.781   2.781
  388    HA   ASN  42            HA      ASN  42 -11.901   4.386   4.386
  389   1HB   ASN  42           HB2      ASN  42 -13.326   3.617   3.617
  390   2HB   ASN  42           HB1      ASN  42 -14.004   4.948   4.948
  391   1HD2  ASN  42          HD22      ASN  42 -15.585   2.549   2.549
  392   2HD2  ASN  42          HD21      ASN  42 -15.760   3.908   3.908
  393    H    GLY  43            HN      GLY  43  -9.876   5.689   5.689
  394   1HA   GLY  43           HA2      GLY  43 -10.082   8.341   8.341
  395   2HA   GLY  43           HA1      GLY  43 -11.274   8.164   8.164
  396    H    LYS  44            HN      LYS  44  -9.880   6.189   6.189
  397    HA   LYS  44            HA      LYS  44  -7.924   7.865   7.865
  398   1HB   LYS  44           HB2      LYS  44  -9.333   5.324   5.324
  399   2HB   LYS  44           HB1      LYS  44  -7.765   5.657   5.657
  400   1HG   LYS  44           HG2      LYS  44  -9.548   6.547   6.547
  401   2HG   LYS  44           HG1      LYS  44  -8.574   7.855   7.855
  402   1HD   LYS  44           HD2      LYS  44 -10.968   8.412   8.412
  403   2HD   LYS  44           HD1      LYS  44 -10.279   8.186   8.186
  404   1HE   LYS  44           HE2      LYS  44 -11.178   5.921   5.921
  405   2HE   LYS  44           HE1      LYS  44 -11.778   6.046   6.046
  406   1HZ   LYS  44           HZ3      LYS  44 -13.029   8.082   8.082
  407   2HZ   LYS  44           HZ2      LYS  44 -12.722   7.446   7.446
  408   3HZ   LYS  44           HZ1      LYS  44 -13.617   6.547   6.547
  409    H    ASP  45            HN      ASP  45  -5.891   6.837   6.837
  410    HA   ASP  45            HA      ASP  45  -4.937   4.861   4.861
  411   1HB   ASP  45           HB2      ASP  45  -4.807   7.409   7.409
  412   2HB   ASP  45           HB1      ASP  45  -3.329   7.342   7.342
  413    H    GLY  46            HN      GLY  46  -2.432   4.648   4.648
  414   1HA   GLY  46           HA2      GLY  46  -0.637   5.044   5.044
  415   2HA   GLY  46           HA1      GLY  46  -1.877   4.935   4.935
  416    H    PHE  47            HN      PHE  47   0.205   3.402   3.402
  417    HA   PHE  47            HA      PHE  47   0.357   0.874   0.874
  418   1HB   PHE  47           HB2      PHE  47   1.051   1.566   1.566
  419   2HB   PHE  47           HB1      PHE  47   1.652   0.184   0.184
  420    HD1  PHE  47           HD2      PHE  47   2.504   0.997   0.997
  421    HD2  PHE  47           HD1      PHE  47   2.575   3.302   3.302
  422    HE1  PHE  47           HE2      PHE  47   4.320   2.405   2.405
  423    HE2  PHE  47           HE1      PHE  47   4.389   4.712   4.712
  424    HZ   PHE  47            HZ      PHE  47   5.263   4.263   4.263
  425    H    ILE  48            HN      ILE  48  -0.081  -1.224  -1.224
  426    HA   ILE  48            HA      ILE  48  -2.255  -1.353  -1.353
  427    HB   ILE  48            HB      ILE  48  -3.554  -2.925  -2.925
  428   1HG1  ILE  48          HG12      ILE  48  -2.242  -1.209  -1.209
  429   2HG1  ILE  48          HG11      ILE  48  -1.624  -2.812  -2.812
  430   1HG2  ILE  48          HG21      ILE  48  -3.842  -0.284  -0.284
  431   2HG2  ILE  48          HG23      ILE  48  -3.858  -0.209  -0.209
  432   3HG2  ILE  48          HG22      ILE  48  -5.021  -1.223  -1.223
  433   1HD1  ILE  48          HD13      ILE  48  -4.526  -2.805  -2.805
  434   2HD1  ILE  48          HD12      ILE  48  -3.654  -2.250  -2.250
  435   3HD1  ILE  48          HD11      ILE  48  -3.298  -3.833  -3.833
  436    HA   PRO  49            HA      PRO  49   0.684  -4.675  -4.675
  437   1HB   PRO  49           HB2      PRO  49  -0.463  -5.732  -5.732
  438   2HB   PRO  49           HB1      PRO  49   0.639  -4.329  -4.329
  439   1HG   PRO  49           HG2      PRO  49  -2.366  -4.395  -4.395
  440   2HG   PRO  49           HG1      PRO  49  -1.213  -3.238  -3.238
  441   1HD   PRO  49           HD2      PRO  49  -2.739  -2.735  -2.735
  442   2HD   PRO  49           HD1      PRO  49  -1.273  -1.894  -1.894
  443    H    LYS  50            HN      LYS  50   0.539  -6.298  -6.298
  444    HA   LYS  50            HA      LYS  50  -1.524  -7.646  -7.646
  445   1HB   LYS  50           HB2      LYS  50   1.036  -7.835  -7.835
  446   2HB   LYS  50           HB1      LYS  50   0.890  -9.143  -9.143
  447   1HG   LYS  50           HG2      LYS  50  -0.600 -10.361 -10.361
  448   2HG   LYS  50           HG1      LYS  50  -0.705  -8.997  -8.997
  449   1HD   LYS  50           HD2      LYS  50   1.541  -9.234  -9.234
  450   2HD   LYS  50           HD1      LYS  50   1.944 -10.234 -10.234
  451   1HE   LYS  50           HE2      LYS  50  -0.157 -11.220 -11.220
  452   2HE   LYS  50           HE1      LYS  50   1.534 -11.337 -11.337
  453   1HZ   LYS  50           HZ1      LYS  50   0.628 -12.282 -12.282
  454   2HZ   LYS  50           HZ3      LYS  50   0.538 -13.280 -13.280
  455   3HZ   LYS  50           HZ2      LYS  50   2.043 -12.692 -12.692
  456    H    ASN  51            HN      ASN  51  -0.683  -8.147  -8.147
  457    HA   ASN  51            HA      ASN  51  -1.584 -10.731 -10.731
  458   1HB   ASN  51           HB2      ASN  51  -1.150  -8.438  -8.438
  459   2HB   ASN  51           HB1      ASN  51  -2.103  -9.723  -9.723
  460   1HD2  ASN  51          HD22      ASN  51   0.628 -12.007 -12.007
  461   2HD2  ASN  51          HD21      ASN  51  -1.064 -11.878 -11.878
  462    H    TYR  52            HN      TYR  52  -3.296  -7.739  -7.739
  463    HA   TYR  52            HA      TYR  52  -5.898  -9.086  -9.086
  464   1HB   TYR  52           HB2      TYR  52  -5.172  -6.150  -6.150
  465   2HB   TYR  52           HB1      TYR  52  -6.775  -6.764  -6.764
  466    HD1  TYR  52           HD2      TYR  52  -3.273  -7.074  -7.074
  467    HD2  TYR  52           HD1      TYR  52  -7.438  -6.825  -6.825
  468    HE1  TYR  52           HE2      TYR  52  -2.777  -7.003  -7.003
  469    HE2  TYR  52           HE1      TYR  52  -6.951  -6.718  -6.718
  470    HH   TYR  52            HH      TYR  52  -3.996  -7.573  -7.573
  471    H    ILE  53            HN      ILE  53  -4.248  -9.383  -9.383
  472    HA   ILE  53            HA      ILE  53  -6.220  -8.551  -8.551
  473    HB   ILE  53            HB      ILE  53  -3.586  -7.692  -7.692
  474   1HG1  ILE  53          HG12      ILE  53  -5.104  -5.894  -5.894
  475   2HG1  ILE  53          HG11      ILE  53  -3.712  -6.853  -6.853
  476   1HG2  ILE  53          HG22      ILE  53  -6.394  -6.960  -6.960
  477   2HG2  ILE  53          HG21      ILE  53  -5.228  -5.660  -5.660
  478   3HG2  ILE  53          HG23      ILE  53  -5.087  -7.098  -7.098
  479   1HD1  ILE  53          HD11      ILE  53  -2.542  -5.831  -5.831
  480   2HD1  ILE  53          HD13      ILE  53  -3.840  -4.645  -4.645
  481   3HD1  ILE  53          HD12      ILE  53  -2.768  -4.822  -4.822
  482    H    GLU  54            HN      GLU  54  -5.417  -9.032  -9.032
  483    HA   GLU  54            HA      GLU  54  -3.487 -11.090 -11.090
  484   1HB   GLU  54           HB2      GLU  54  -6.278 -11.694 -11.694
  485   2HB   GLU  54           HB1      GLU  54  -5.665 -12.059 -12.059
  486   1HG   GLU  54           HG2      GLU  54  -3.696 -13.194 -13.194
  487   2HG   GLU  54           HG1      GLU  54  -4.863 -13.236 -13.236
  488    H    MET  55            HN      MET  55  -3.052 -11.401 -11.401
  489    HA   MET  55            HA      MET  55  -3.538  -8.830  -8.830
  490   1HB   MET  55           HB2      MET  55  -1.207  -9.880  -9.880
  491   2HB   MET  55           HB1      MET  55  -1.593 -10.922 -10.922
  492   1HG   MET  55           HG2      MET  55  -2.011  -7.973  -7.973
  493   2HG   MET  55           HG1      MET  55  -0.374  -8.616  -8.616
  494   1HE   MET  55           HE3      MET  55   0.283 -10.479 -10.479
  495   2HE   MET  55           HE2      MET  55  -0.983 -11.634 -11.634
  496   3HE   MET  55           HE1      MET  55  -0.138 -10.776 -10.776
  497    H    LYS  56            HN      LYS  56  -5.247  -8.860  -8.860
  498    HA   LYS  56            HA      LYS  56  -5.777 -11.270 -11.270
  499   1HB   LYS  56           HB2      LYS  56  -7.343  -8.917  -8.917
  500   2HB   LYS  56           HB1      LYS  56  -7.736  -9.691  -9.691
  501   1HG   LYS  56           HG2      LYS  56  -8.084 -11.815 -11.815
  502   2HG   LYS  56           HG1      LYS  56  -7.394 -11.226 -11.226
  503   1HD   LYS  56           HD2      LYS  56  -9.891 -11.318 -11.318
  504   2HD   LYS  56           HD1      LYS  56  -9.280  -9.679  -9.679
  505   1HE   LYS  56           HE2      LYS  56  -9.835  -9.065  -9.065
  506   2HE   LYS  56           HE1      LYS  56 -10.109 -10.742 -10.742
  507   1HZ   LYS  56           HZ2      LYS  56 -11.736  -9.797  -9.797
  508   2HZ   LYS  56           HZ1      LYS  56 -12.056  -9.060  -9.060
  509   3HZ   LYS  56           HZ3      LYS  56 -12.166 -10.744 -10.744
  510    HA   PRO  57            HA      PRO  57  -3.900  -9.653  -9.653
  511   1HB   PRO  57           HB2      PRO  57  -4.735 -11.502 -11.502
  512   2HB   PRO  57           HB1      PRO  57  -3.430 -11.777 -11.777
  513   1HG   PRO  57           HG2      PRO  57  -6.230 -12.748 -12.748
  514   2HG   PRO  57           HG1      PRO  57  -4.786 -13.463 -13.463
  515   1HD   PRO  57           HD2      PRO  57  -6.744 -12.044 -12.044
  516   2HD   PRO  57           HD1      PRO  57  -5.122 -12.455 -12.455
  517    H    HIS  58            HN      HIS  58  -4.768  -9.696  -9.696
  518    HA   HIS  58            HA      HIS  58  -7.535  -8.631  -8.631
  519   1HB   HIS  58           HB2      HIS  58  -5.453  -6.863  -6.863
  520   2HB   HIS  58           HB1      HIS  58  -5.558  -7.056  -7.056
  521    HD1  HIS  58           HD1      HIS  58  -7.813  -6.353  -6.353
  522    HD2  HIS  58           HD2      HIS  58  -7.634  -5.510  -5.510
  523    HE1  HIS  58           HE1      HIS  58  -9.742  -4.786  -4.786
  524    HA   PRO  59            HA      PRO  59  -6.512 -11.392 -11.392
  525   1HB   PRO  59           HB2      PRO  59  -8.964 -12.628 -12.628
  526   2HB   PRO  59           HB1      PRO  59  -7.636 -13.159 -13.159
  527   1HG   PRO  59           HG2      PRO  59 -10.136 -11.696 -11.696
  528   2HG   PRO  59           HG1      PRO  59  -9.137 -12.779 -12.779
  529   1HD   PRO  59           HD2      PRO  59  -9.122  -9.953  -9.953
  530   2HD   PRO  59           HD1      PRO  59  -7.902 -11.033 -11.033
  531    H    GLU  60            HN      GLU  60  -6.533 -10.207 -10.207
  532    HA   GLU  60            HA      GLU  60  -7.299  -8.863  -8.863
  533   1HB   GLU  60           HB2      GLU  60  -9.108 -11.111 -11.111
  534   2HB   GLU  60           HB1      GLU  60  -9.958  -9.739  -9.739
  535   1HG   GLU  60           HG2      GLU  60  -7.270 -10.453 -10.453
  536   2HG   GLU  60           HG1      GLU  60  -8.645 -11.471 -11.471
  537    H    PHE  61            HN      PHE  61  -9.724  -7.785  -7.785
  538    HA   PHE  61            HA      PHE  61 -10.001  -5.644  -5.644
  539   1HB   PHE  61           HB2      PHE  61 -10.172  -5.642  -5.642
  540   2HB   PHE  61           HB1      PHE  61 -11.880  -5.853  -5.853
  541    HD1  PHE  61           HD1      PHE  61  -8.935  -3.653  -3.653
  542    HD2  PHE  61           HD2      PHE  61 -13.164  -4.099  -4.099
  543    HE1  PHE  61           HE1      PHE  61  -9.111  -1.240  -1.240
  544    HE2  PHE  61           HE2      PHE  61 -13.341  -1.686  -1.686
  545    HZ   PHE  61            HZ      PHE  61 -11.314  -0.257  -0.257
  546    H    ILE  62            HN      ILE  62 -10.934  -6.800  -6.800
  547    HA   ILE  62            HA      ILE  62 -12.708  -7.528  -7.528
  548    HB   ILE  62            HB      ILE  62 -13.742  -5.510  -5.510
  549   1HG1  ILE  62          HG12      ILE  62 -15.552  -6.867  -6.867
  550   2HG1  ILE  62          HG11      ILE  62 -14.006  -6.238  -6.238
  551   1HG2  ILE  62          HG21      ILE  62 -14.832  -7.523  -7.523
  552   2HG2  ILE  62          HG23      ILE  62 -15.969  -7.530  -7.530
  553   3HG2  ILE  62          HG22      ILE  62 -15.775  -6.081  -6.081
  554   1HD1  ILE  62          HD13      ILE  62 -15.944  -4.580  -4.580
  555   2HD1  ILE  62          HD12      ILE  62 -15.964  -4.614  -4.614
  556   3HD1  ILE  62          HD11      ILE  62 -14.541  -4.017  -4.017
  557    H    VAL  63            HN      VAL  63 -14.703  -9.098  -9.098
  558    HA   VAL  63            HA      VAL  63 -14.438 -11.052 -11.052
  559    HB   VAL  63            HB      VAL  63 -14.285 -11.852 -11.852
  560   1HG1  VAL  63          HG13      VAL  63 -14.281 -13.318 -13.318
  561   2HG1  VAL  63          HG12      VAL  63 -13.472 -14.014 -14.014
  562   3HG1  VAL  63          HG11      VAL  63 -15.201 -13.670 -13.670
  563   1HG2  VAL  63          HG21      VAL  63 -12.154 -11.498 -11.498
  564   2HG2  VAL  63          HG23      VAL  63 -12.199 -10.805 -10.805
  565   3HG2  VAL  63          HG22      VAL  63 -11.912 -12.531 -12.531
  566    H    THR  64            HN      THR  64 -16.047 -10.719 -10.719
  567    HA   THR  64            HA      THR  64 -18.517 -11.887 -11.887
  568    HB   THR  64            HB      THR  64 -18.480 -10.359 -10.359
  569    HG1  THR  64           HG1      THR  64 -16.668 -11.326 -11.326
  570   1HG2  THR  64          HG22      THR  64 -19.509 -13.068 -13.068
  571   2HG2  THR  64          HG21      THR  64 -19.711 -12.401 -12.401
  572   3HG2  THR  64          HG23      THR  64 -20.469 -11.608 -11.608
  573    H    ASP  65            HN      ASP  65 -20.097 -10.772 -10.772
  574    HA   ASP  65            HA      ASP  65 -20.596  -7.940  -7.940
  575   1HB   ASP  65           HB2      ASP  65 -18.837  -8.074  -8.074
  576   2HB   ASP  65           HB1      ASP  65 -20.139  -8.697  -8.697
  577   1H    SER   1           HT2      SER   1 -16.906 -11.285 -11.285
  578   2H    SER   1           HT1      SER   1 -17.831 -10.744 -10.744
  579   3H    SER   1           HT3      SER   1 -17.263  -9.633  -9.633
  580    HA   SER   1            HA      SER   1 -15.762  -9.314  -9.314
  581   1HB   SER   1           HB2      SER   1 -16.088 -12.284 -12.284
  582   2HB   SER   1           HB1      SER   1 -14.799 -11.361 -11.361
  583    HG   SER   1            HG      SER   1 -16.492 -11.289 -11.289
  584    HA   PRO   2            HA      PRO   2 -13.044 -10.653 -10.653
  585   1HB   PRO   2           HB2      PRO   2 -12.200  -8.127  -8.127
  586   2HB   PRO   2           HB1      PRO   2 -13.651  -8.895  -8.895
  587   1HG   PRO   2           HG2      PRO   2 -13.453  -6.716  -6.716
  588   2HG   PRO   2           HG1      PRO   2 -14.770  -7.080  -7.080
  589   1HD   PRO   2           HD2      PRO   2 -14.720  -7.731  -7.731
  590   2HD   PRO   2           HD1      PRO   2 -15.865  -8.363  -8.363
  591    H    LEU   3            HN      LEU   3 -11.746  -7.598  -7.598
  592    HA   LEU   3            HA      LEU   3  -9.786  -7.153  -7.153
  593   1HB   LEU   3           HB2      LEU   3 -11.145  -8.665  -8.665
  594   2HB   LEU   3           HB1      LEU   3  -9.996  -9.922  -9.922
  595    HG   LEU   3            HG      LEU   3  -8.400  -7.660  -7.660
  596   1HD1  LEU   3          HD11      LEU   3 -10.356  -6.610  -6.610
  597   2HD1  LEU   3          HD13      LEU   3 -10.492  -8.005  -8.005
  598   3HD1  LEU   3          HD12      LEU   3  -9.071  -6.963  -6.963
  599   1HD2  LEU   3          HD21      LEU   3  -7.897 -10.045 -10.045
  600   2HD2  LEU   3          HD23      LEU   3  -7.601  -8.993  -8.993
  601   3HD2  LEU   3          HD22      LEU   3  -9.060  -9.983  -9.983
  602    H    LEU   4            HN      LEU   4  -8.063  -7.104  -7.104
  603    HA   LEU   4            HA      LEU   4  -6.704  -9.711  -9.711
  604   1HB   LEU   4           HB2      LEU   4  -7.727  -7.701  -7.701
  605   2HB   LEU   4           HB1      LEU   4  -6.072  -8.225  -8.225
  606    HG   LEU   4            HG      LEU   4  -7.047 -10.633 -10.633
  607   1HD1  LEU   4          HD13      LEU   4  -9.332  -9.274  -9.274
  608   2HD1  LEU   4          HD12      LEU   4  -9.542  -9.537  -9.537
  609   3HD1  LEU   4          HD11      LEU   4  -9.319 -10.913 -10.913
  610   1HD2  LEU   4          HD22      LEU   4  -6.143  -9.678  -9.678
  611   2HD2  LEU   4          HD21      LEU   4  -7.485 -10.792 -10.792
  612   3HD2  LEU   4          HD23      LEU   4  -7.752  -9.051  -9.051
  613    HA   PRO   5            HA      PRO   5  -3.810  -6.383  -6.383
  614   1HB   PRO   5           HB2      PRO   5  -3.155  -7.574  -7.574
  615   2HB   PRO   5           HB1      PRO   5  -4.483  -6.414  -6.414
  616   1HG   PRO   5           HG2      PRO   5  -4.616  -9.382  -9.382
  617   2HG   PRO   5           HG1      PRO   5  -5.813  -8.150  -8.150
  618   1HD   PRO   5           HD2      PRO   5  -5.917  -9.815  -9.815
  619   2HD   PRO   5           HD1      PRO   5  -6.892  -8.359  -8.359
  620    H    LYS   6            HN      LYS   6  -2.291  -7.070  -7.070
  621    HA   LYS   6            HA      LYS   6  -0.480  -9.273  -9.273
  622   1HB   LYS   6           HB2      LYS   6  -2.055 -10.006 -10.006
  623   2HB   LYS   6           HB1      LYS   6  -1.269  -8.816  -8.816
  624   1HG   LYS   6           HG2      LYS   6   0.943  -9.985  -9.985
  625   2HG   LYS   6           HG1      LYS   6  -0.138 -11.331 -11.331
  626   1HD   LYS   6           HD2      LYS   6   0.459 -11.800 -11.800
  627   2HD   LYS   6           HD1      LYS   6  -1.048 -10.910 -10.910
  628   1HE   LYS   6           HE2      LYS   6   0.166  -9.593  -9.593
  629   2HE   LYS   6           HE1      LYS   6   0.796  -8.870  -8.870
  630   1HZ   LYS   6           HZ1      LYS   6   2.009 -11.243 -11.243
  631   2HZ   LYS   6           HZ3      LYS   6   2.514  -9.655  -9.655
  632   3HZ   LYS   6           HZ2      LYS   6   2.663 -10.300 -10.300
  633    H    LEU   7            HN      LEU   7  -0.619  -6.945  -6.945
  634    HA   LEU   7            HA      LEU   7   2.113  -6.444  -6.444
  635   1HB   LEU   7           HB2      LEU   7  -0.239  -4.564  -4.564
  636   2HB   LEU   7           HB1      LEU   7   1.399  -4.141  -4.141
  637    HG   LEU   7            HG      LEU   7   0.123  -6.710  -6.710
  638   1HD1  LEU   7          HD11      LEU   7  -1.052  -4.268  -4.268
  639   2HD1  LEU   7          HD13      LEU   7   0.037  -4.451  -4.451
  640   3HD1  LEU   7          HD12      LEU   7  -1.178  -5.687  -5.687
  641   1HD2  LEU   7          HD22      LEU   7   2.237  -4.861  -4.861
  642   2HD2  LEU   7          HD21      LEU   7   2.549  -6.383  -6.383
  643   3HD2  LEU   7          HD23      LEU   7   1.709  -6.384  -6.384
  644    HA   PRO   8            HA      PRO   8   2.670  -4.499  -4.499
  645   1HB   PRO   8           HB2      PRO   8   5.299  -5.207  -5.207
  646   2HB   PRO   8           HB1      PRO   8   3.946  -6.289  -6.289
  647   1HG   PRO   8           HG2      PRO   8   5.843  -6.409  -6.409
  648   2HG   PRO   8           HG1      PRO   8   4.847  -7.698  -7.698
  649   1HD   PRO   8           HD2      PRO   8   4.311  -6.192  -6.192
  650   2HD   PRO   8           HD1      PRO   8   3.261  -7.397  -7.397
  651    HA   PRO   9            HA      PRO   9   4.782  -0.990  -0.990
  652   1HB   PRO   9           HB2      PRO   9   3.631   0.980   0.980
  653   2HB   PRO   9           HB1      PRO   9   2.839   0.264   0.264
  654   1HG   PRO   9           HG2      PRO   9   2.238  -0.153  -0.153
  655   2HG   PRO   9           HG1      PRO   9   1.175  -0.347  -0.347
  656   1HD   PRO   9           HD2      PRO   9   2.476  -2.442  -2.442
  657   2HD   PRO   9           HD1      PRO   9   1.621  -2.590  -2.590
  658    H    LYS  10            HN      LYS  10   6.815  -0.228  -0.228
  659    HA   LYS  10            HA      LYS  10   7.384   0.705   0.705
  660   1HB   LYS  10           HB2      LYS  10   8.908  -1.156  -1.156
  661   2HB   LYS  10           HB1      LYS  10   7.209  -1.630  -1.630
  662   1HG   LYS  10           HG2      LYS  10   7.526  -2.651  -2.651
  663   2HG   LYS  10           HG1      LYS  10   9.206  -2.111  -2.111
  664   1HD   LYS  10           HD2      LYS  10   8.149  -3.862  -3.862
  665   2HD   LYS  10           HD1      LYS  10   8.781  -4.545  -4.545
  666   1HE   LYS  10           HE2      LYS  10  10.946  -3.862  -3.862
  667   2HE   LYS  10           HE1      LYS  10  10.428  -2.485  -2.485
  668   1HZ   LYS  10           HZ1      LYS  10  10.145  -5.318  -5.318
  669   2HZ   LYS  10           HZ3      LYS  10  11.421  -4.307  -4.307
  670   3HZ   LYS  10           HZ2      LYS  10   9.829  -3.940  -3.940
  671    H    THR  11            HN      THR  11   9.919   0.730   0.730
  672    HA   THR  11            HA      THR  11  11.479   0.765   0.765
  673    HB   THR  11            HB      THR  11  12.111   3.224   3.224
  674    HG1  THR  11           HG1      THR  11  11.171   4.065   4.065
  675   1HG2  THR  11          HG23      THR  11  10.445   2.172   2.172
  676   2HG2  THR  11          HG22      THR  11   9.229   3.006   3.006
  677   3HG2  THR  11          HG21      THR  11  10.528   3.922   3.922
  678    H    TYR  12            HN      TYR  12  13.799   1.188   1.188
  679    HA   TYR  12            HA      TYR  12  14.576   1.348   1.348
  680   1HB   TYR  12           HB2      TYR  12  14.043  -1.091  -1.091
  681   2HB   TYR  12           HB1      TYR  12  15.387  -1.085  -1.085
  682    HD1  TYR  12           HD2      TYR  12  14.642  -0.015  -0.015
  683    HD2  TYR  12           HD1      TYR  12  17.485  -1.716  -1.716
  684    HE1  TYR  12           HE2      TYR  12  16.234  -0.359  -0.359
  685    HE2  TYR  12           HE1      TYR  12  19.077  -2.060  -2.060
  686    HH   TYR  12            HH      TYR  12  19.158  -0.618  -0.618
  687    H    LYS  13            HN      LYS  13  16.586   2.267   2.267
  688    HA   LYS  13            HA      LYS  13  18.737   1.982   1.982
  689   1HB   LYS  13           HB2      LYS  13  16.994   3.427   3.427
  690   2HB   LYS  13           HB1      LYS  13  17.508   4.723   4.723
  691   1HG   LYS  13           HG2      LYS  13  18.899   4.872   4.872
  692   2HG   LYS  13           HG1      LYS  13  19.899   4.187   4.187
  693   1HD   LYS  13           HD2      LYS  13  18.783   1.922   1.922
  694   2HD   LYS  13           HD1      LYS  13  18.963   2.952   2.952
  695   1HE   LYS  13           HE2      LYS  13  21.062   1.979   1.979
  696   2HE   LYS  13           HE1      LYS  13  21.367   3.392   3.392
  697   1HZ   LYS  13           HZ1      LYS  13  20.798   1.981   1.981
  698   2HZ   LYS  13           HZ3      LYS  13  20.740   0.638   0.638
  699   3HZ   LYS  13           HZ2      LYS  13  22.200   1.484   1.484
  700    H    ARG  14            HN      ARG  14  19.873   1.792   1.792
  701    HA   ARG  14            HA      ARG  14  20.708   4.348   4.348
  702   1HB   ARG  14           HB2      ARG  14  18.645   3.665   3.665
  703   2HB   ARG  14           HB1      ARG  14  19.510   2.210   2.210
  704   1HG   ARG  14           HG2      ARG  14  20.973   3.374   3.374
  705   2HG   ARG  14           HG1      ARG  14  20.858   4.849   4.849
  706   1HD   ARG  14           HD2      ARG  14  18.435   5.016   5.016
  707   2HD   ARG  14           HD1      ARG  14  18.848   3.764   3.764
  708    HE   ARG  14            HE      ARG  14  20.067   6.489   6.489
  709   1HH1  ARG  14          HH21      ARG  14  21.351   3.831   3.831
  710   2HH1  ARG  14          HH22      ARG  14  21.091   4.149   4.149
  711   1HH2  ARG  14          HH11      ARG  14  18.877   6.758   6.758
  712   2HH2  ARG  14          HH12      ARG  14  19.689   5.805   5.805
  713    H    GLU  15            HN      GLU  15  22.575   3.994   3.994
  714    HA   GLU  15            HA      GLU  15  24.135   1.613   1.613
  715   1HB   GLU  15           HB2      GLU  15  24.864   4.329   4.329
  716   2HB   GLU  15           HB1      GLU  15  26.020   3.002   3.002
  717   1HG   GLU  15           HG2      GLU  15  24.630   3.769   3.769
  718   2HG   GLU  15           HG1      GLU  15  26.189   4.443   4.443

  Start of MODEL   13
    1   1H    GLY  -8           HT1      GLY  -8   9.850 -10.426 -10.426
    2   2H    GLY  -8           HT3      GLY  -8  10.160 -11.748 -11.748
    3   3H    GLY  -8           HT2      GLY  -8  11.323 -10.524 -10.524
    4   1HA   GLY  -8           HA1      GLY  -8  10.294  -9.726  -9.726
    5   2HA   GLY  -8           HA2      GLY  -8   8.844 -10.695 -10.695
    6    H    SER  -7            HN      SER  -7   8.179  -8.536  -8.536
    7    HA   SER  -7            HA      SER  -7   8.475  -6.150  -6.150
    8   1HB   SER  -7           HB2      SER  -7   9.427  -6.422  -6.422
    9   2HB   SER  -7           HB1      SER  -7   8.630  -4.912  -4.912
   10    HG   SER  -7            HG      SER  -7  10.978  -6.075  -6.075
   11    H    ARG  -6            HN      ARG  -6   6.399  -5.637  -5.637
   12    HA   ARG  -6            HA      ARG  -6   4.438  -5.444  -5.444
   13   1HB   ARG  -6           HB2      ARG  -6   2.712  -6.569  -6.569
   14   2HB   ARG  -6           HB1      ARG  -6   4.020  -7.651  -7.651
   15   1HG   ARG  -6           HG2      ARG  -6   5.015  -7.593  -7.593
   16   2HG   ARG  -6           HG1      ARG  -6   4.144  -6.131  -6.131
   17   1HD   ARG  -6           HD2      ARG  -6   3.192  -8.137  -8.137
   18   2HD   ARG  -6           HD1      ARG  -6   2.025  -7.376  -7.376
   19    HE   ARG  -6            HE      ARG  -6   2.977  -9.196  -9.196
   20   1HH1  ARG  -6          HH11      ARG  -6   4.294 -11.176 -11.176
   21   2HH1  ARG  -6          HH12      ARG  -6   3.181 -12.126 -12.126
   22   1HH2  ARG  -6          HH21      ARG  -6   0.723  -9.683  -9.683
   23   2HH2  ARG  -6          HH22      ARG  -6   1.160 -11.281 -11.281
   24    H    ARG  -5            HN      ARG  -5   5.710  -3.292  -3.292
   25    HA   ARG  -5            HA      ARG  -5   3.848  -2.205  -2.205
   26   1HB   ARG  -5           HB2      ARG  -5   6.626  -1.569  -1.569
   27   2HB   ARG  -5           HB1      ARG  -5   5.648  -0.239  -0.239
   28   1HG   ARG  -5           HG2      ARG  -5   5.104  -1.840  -1.840
   29   2HG   ARG  -5           HG1      ARG  -5   6.502  -2.761  -2.761
   30   1HD   ARG  -5           HD2      ARG  -5   6.575   0.200   0.200
   31   2HD   ARG  -5           HD1      ARG  -5   7.061  -1.065  -1.065
   32    HE   ARG  -5            HE      ARG  -5   8.460  -0.461  -0.461
   33   1HH1  ARG  -5          HH11      ARG  -5   8.876  -3.260  -3.260
   34   2HH1  ARG  -5          HH12      ARG  -5  10.265  -3.133  -3.133
   35   1HH2  ARG  -5          HH21      ARG  -5   9.996   0.303   0.303
   36   2HH2  ARG  -5          HH22      ARG  -5  10.899  -1.116  -1.116
   37    H    ALA  -4            HN      ALA  -4   3.092  -2.572  -2.572
   38    HA   ALA  -4            HA      ALA  -4   3.000   0.168   0.168
   39   1HB   ALA  -4           HB2      ALA  -4   3.283  -1.964  -1.964
   40   2HB   ALA  -4           HB1      ALA  -4   1.571  -2.261  -2.261
   41   3HB   ALA  -4           HB3      ALA  -4   2.072  -0.810  -0.810
   42    H    SER  -3            HN      SER  -3   0.925  -2.078  -2.078
   43    HA   SER  -3            HA      SER  -3  -1.606  -0.887  -0.887
   44   1HB   SER  -3           HB2      SER  -3  -1.558  -3.011  -3.011
   45   2HB   SER  -3           HB1      SER  -3  -0.561  -2.379  -2.379
   46    HG   SER  -3            HG      SER  -3  -3.186  -2.468  -2.468
   47    H    VAL  -2            HN      VAL  -2  -2.809   0.680   0.680
   48    HA   VAL  -2            HA      VAL  -2  -1.094   2.556   2.556
   49    HB   VAL  -2            HB      VAL  -2  -3.694   3.151   3.151
   50   1HG1  VAL  -2          HG12      VAL  -2  -1.779   4.703   4.703
   51   2HG1  VAL  -2          HG11      VAL  -2  -2.440   5.516   5.516
   52   3HG1  VAL  -2          HG13      VAL  -2  -3.523   4.888   4.888
   53   1HG2  VAL  -2          HG21      VAL  -2  -1.684   2.479   2.479
   54   2HG2  VAL  -2          HG23      VAL  -2  -2.395   4.056   4.056
   55   3HG2  VAL  -2          HG22      VAL  -2  -0.901   3.944   3.944
   56    H    GLY  -1            HN      GLY  -1  -4.048   0.667   0.667
   57   1HA   GLY  -1           HA2      GLY  -1  -5.264   1.899   1.899
   58   2HA   GLY  -1           HA1      GLY  -1  -5.649   0.297   0.297
   59    H    SER   0            HN      SER   0  -5.420  -1.141  -1.141
   60    HA   SER   0            HA      SER   0  -2.899  -1.750  -1.750
   61   1HB   SER   0           HB2      SER   0  -3.895  -1.091  -1.091
   62   2HB   SER   0           HB1      SER   0  -2.885   0.015   0.015
   63    HG   SER   0            HG      SER   0  -4.630   1.156   1.156
   64    H    MET   1            HN      MET   1  -3.452  -3.095  -3.095
   65    HA   MET   1            HA      MET   1  -5.689  -4.906  -4.906
   66   1HB   MET   1           HB2      MET   1  -3.030  -5.368  -5.368
   67   2HB   MET   1           HB1      MET   1  -4.368  -6.423  -6.423
   68   1HG   MET   1           HG2      MET   1  -4.749  -7.104  -7.104
   69   2HG   MET   1           HG1      MET   1  -3.661  -5.865  -5.865
   70   1HE   MET   1           HE3      MET   1  -4.084  -9.215  -9.215
   71   2HE   MET   1           HE2      MET   1  -2.748 -10.071 -10.071
   72   3HE   MET   1           HE1      MET   1  -3.981  -9.308  -9.308
   73    H    GLU   2            HN      GLU   2  -6.411  -6.201  -6.201
   74    HA   GLU   2            HA      GLU   2  -6.916  -4.164  -4.164
   75   1HB   GLU   2           HB2      GLU   2  -8.711  -5.689  -5.689
   76   2HB   GLU   2           HB1      GLU   2  -9.001  -6.026  -6.026
   77   1HG   GLU   2           HG2      GLU   2  -8.749  -3.318  -3.318
   78   2HG   GLU   2           HG1      GLU   2  -9.438  -3.534  -3.534
   79    H    ALA   3            HN      ALA   3  -7.578  -5.399  -5.399
   80    HA   ALA   3            HA      ALA   3  -6.530  -8.110  -8.110
   81   1HB   ALA   3           HB2      ALA   3  -4.732  -6.194  -6.194
   82   2HB   ALA   3           HB1      ALA   3  -5.401  -6.180  -6.180
   83   3HB   ALA   3           HB3      ALA   3  -4.712  -7.657  -7.657
   84    H    ILE   4            HN      ILE   4  -8.084  -9.060  -9.060
   85    HA   ILE   4            HA      ILE   4 -10.159  -7.838  -7.838
   86    HB   ILE   4            HB      ILE   4 -10.376 -10.043 -10.043
   87   1HG1  ILE   4          HG12      ILE   4 -10.539 -10.836 -10.836
   88   2HG1  ILE   4          HG11      ILE   4 -11.245  -9.250  -9.250
   89   1HG2  ILE   4          HG21      ILE   4  -7.871 -10.522 -10.522
   90   2HG2  ILE   4          HG23      ILE   4  -8.714 -11.276 -11.276
   91   3HG2  ILE   4          HG22      ILE   4  -9.028 -11.816 -11.816
   92   1HD1  ILE   4          HD12      ILE   4 -11.845 -11.508 -11.508
   93   2HD1  ILE   4          HD11      ILE   4 -12.685 -11.399 -11.399
   94   3HD1  ILE   4          HD13      ILE   4 -12.808 -10.083 -10.083
   95    H    ALA   5            HN      ALA   5 -10.226  -6.915  -6.915
   96    HA   ALA   5            HA      ALA   5  -8.027  -7.159  -7.159
   97   1HB   ALA   5           HB1      ALA   5 -10.723  -5.783  -5.783
   98   2HB   ALA   5           HB3      ALA   5  -9.688  -5.885  -5.885
   99   3HB   ALA   5           HB2      ALA   5  -9.122  -5.041  -5.041
  100    H    LYS   6            HN      LYS   6  -7.924  -9.209  -9.209
  101    HA   LYS   6            HA      LYS   6 -10.049 -11.019 -11.019
  102   1HB   LYS   6           HB2      LYS   6  -7.447 -10.807 -10.807
  103   2HB   LYS   6           HB1      LYS   6  -8.493 -12.228 -12.228
  104   1HG   LYS   6           HG2      LYS   6  -8.032 -12.653 -12.653
  105   2HG   LYS   6           HG1      LYS   6  -7.551 -10.989 -10.989
  106   1HD   LYS   6           HD2      LYS   6  -5.551 -12.332 -12.332
  107   2HD   LYS   6           HD1      LYS   6  -5.554 -11.359 -11.359
  108   1HE   LYS   6           HE2      LYS   6  -5.060 -13.454 -13.454
  109   2HE   LYS   6           HE1      LYS   6  -6.819 -13.464 -13.464
  110   1HZ   LYS   6           HZ3      LYS   6  -6.789 -14.504 -14.504
  111   2HZ   LYS   6           HZ2      LYS   6  -5.121 -14.747 -14.747
  112   3HZ   LYS   6           HZ1      LYS   6  -6.238 -15.482 -15.482
  113    H    TYR   7            HN      TYR   7  -8.906  -8.447  -8.447
  114    HA   TYR   7            HA      TYR   7 -11.283  -8.943  -8.943
  115   1HB   TYR   7           HB2      TYR   7  -8.642  -8.487  -8.487
  116   2HB   TYR   7           HB1      TYR   7 -10.111  -9.180  -9.180
  117    HD1  TYR   7           HD2      TYR   7  -7.306  -9.792  -9.792
  118    HD2  TYR   7           HD1      TYR   7 -10.484 -11.517 -11.517
  119    HE1  TYR   7           HE2      TYR   7  -6.405 -12.041 -12.041
  120    HE2  TYR   7           HE1      TYR   7  -9.596 -13.791 -13.791
  121    HH   TYR   7            HH      TYR   7  -8.186 -14.903 -14.903
  122    H    ASP   8            HN      ASP   8 -11.034  -7.219  -7.219
  123    HA   ASP   8            HA      ASP   8 -11.094  -4.660  -4.660
  124   1HB   ASP   8           HB2      ASP   8 -12.112  -3.816  -3.816
  125   2HB   ASP   8           HB1      ASP   8 -12.840  -5.379  -5.379
  126    H    PHE   9            HN      PHE   9  -9.929  -2.778  -2.778
  127    HA   PHE   9            HA      PHE   9  -7.778  -2.926  -2.926
  128   1HB   PHE   9           HB2      PHE   9  -6.644  -4.407  -4.407
  129   2HB   PHE   9           HB1      PHE   9  -7.194  -3.537  -3.537
  130    HD1  PHE   9           HD1      PHE   9  -6.135  -1.506  -1.506
  131    HD2  PHE   9           HD2      PHE   9  -4.754  -3.605  -3.605
  132    HE1  PHE   9           HE1      PHE   9  -4.016  -0.201  -0.201
  133    HE2  PHE   9           HE2      PHE   9  -2.638  -2.303  -2.303
  134    HZ   PHE   9            HZ      PHE   9  -2.270  -0.598  -0.598
  135    H    LYS  10            HN      LYS  10  -6.334  -0.850  -0.850
  136    HA   LYS  10            HA      LYS  10  -7.657   1.204   1.204
  137   1HB   LYS  10           HB2      LYS  10  -8.137   2.712   2.712
  138   2HB   LYS  10           HB1      LYS  10  -8.662   1.155   1.155
  139   1HG   LYS  10           HG2      LYS  10  -6.349   0.965   0.965
  140   2HG   LYS  10           HG1      LYS  10  -6.126   2.666   2.666
  141   1HD   LYS  10           HD2      LYS  10  -7.006   2.833   2.833
  142   2HD   LYS  10           HD1      LYS  10  -8.464   2.963   2.963
  143   1HE   LYS  10           HE2      LYS  10  -9.141   1.321   1.321
  144   2HE   LYS  10           HE1      LYS  10  -8.431   0.314   0.314
  145   1HZ   LYS  10           HZ1      LYS  10  -6.837   1.321   1.321
  146   2HZ   LYS  10           HZ3      LYS  10  -7.710  -0.130  -0.130
  147   3HZ   LYS  10           HZ2      LYS  10  -6.474   0.043   0.043
  148    H    ALA  11            HN      ALA  11  -6.426   3.223   3.223
  149    HA   ALA  11            HA      ALA  11  -3.699   2.639   2.639
  150   1HB   ALA  11           HB1      ALA  11  -5.266   4.485   4.485
  151   2HB   ALA  11           HB3      ALA  11  -4.676   5.445   5.445
  152   3HB   ALA  11           HB2      ALA  11  -3.534   4.808   4.808
  153    H    THR  12            HN      THR  12  -1.896   2.938   2.938
  154    HA   THR  12            HA      THR  12  -2.464   4.064   4.064
  155    HB   THR  12            HB      THR  12  -0.841   2.587   2.587
  156    HG1  THR  12           HG1      THR  12   0.831   2.022   2.022
  157   1HG2  THR  12          HG22      THR  12  -2.976   1.483   1.483
  158   2HG2  THR  12          HG21      THR  12  -2.201   1.001   1.001
  159   3HG2  THR  12          HG23      THR  12  -1.607   0.372   0.372
  160    H    ALA  13            HN      ALA  13  -0.066   3.887   3.887
  161    HA   ALA  13            HA      ALA  13   1.533   6.056   6.056
  162   1HB   ALA  13           HB1      ALA  13   1.866   4.252   4.252
  163   2HB   ALA  13           HB3      ALA  13   2.807   5.741   5.741
  164   3HB   ALA  13           HB2      ALA  13   2.957   4.497   4.497
  165    H    ASP  14            HN      ASP  14   2.102   7.890   7.890
  166    HA   ASP  14            HA      ASP  14  -0.151   9.357   9.357
  167   1HB   ASP  14           HB2      ASP  14   2.219  10.024  10.024
  168   2HB   ASP  14           HB1      ASP  14   2.623   9.939   9.939
  169    H    ASP  15            HN      ASP  15   1.783   7.057   7.057
  170    HA   ASP  15            HA      ASP  15   0.501   7.823   7.823
  171   1HB   ASP  15           HB2      ASP  15   3.094   8.028   8.028
  172   2HB   ASP  15           HB1      ASP  15   3.052   6.275   6.275
  173    H    GLU  16            HN      GLU  16  -0.765   6.105   6.105
  174    HA   GLU  16            HA      GLU  16  -0.420   3.439   3.439
  175   1HB   GLU  16           HB2      GLU  16  -0.058   3.753   3.753
  176   2HB   GLU  16           HB1      GLU  16  -1.810   3.909   3.909
  177   1HG   GLU  16           HG2      GLU  16  -2.114   1.696   1.696
  178   2HG   GLU  16           HG1      GLU  16  -1.021   1.639   1.639
  179    H    LEU  17            HN      LEU  17  -2.583   2.176   2.176
  180    HA   LEU  17            HA      LEU  17  -4.768   4.078   4.078
  181   1HB   LEU  17           HB2      LEU  17  -3.748   2.990   2.990
  182   2HB   LEU  17           HB1      LEU  17  -4.140   1.416   1.416
  183    HG   LEU  17            HG      LEU  17  -6.585   2.276   2.276
  184   1HD1  LEU  17          HD11      LEU  17  -5.749   4.663   4.663
  185   2HD1  LEU  17          HD13      LEU  17  -5.576   4.085   4.085
  186   3HD1  LEU  17          HD12      LEU  17  -7.161   4.082   4.082
  187   1HD2  LEU  17          HD22      LEU  17  -4.940   1.301   1.301
  188   2HD2  LEU  17          HD21      LEU  17  -6.406   0.617   0.617
  189   3HD2  LEU  17          HD23      LEU  17  -6.523   1.958   1.958
  190    H    SER  18            HN      SER  18  -6.894   3.533   3.533
  191    HA   SER  18            HA      SER  18  -7.145   1.403   1.403
  192   1HB   SER  18           HB2      SER  18  -9.209   3.395   3.395
  193   2HB   SER  18           HB1      SER  18  -8.618   2.727   2.727
  194    HG   SER  18            HG      SER  18  -8.075   5.053   5.053
  195    H    PHE  19            HN      PHE  19  -8.988   0.000   0.000
  196    HA   PHE  19            HA      PHE  19 -10.971   0.137   0.137
  197   1HB   PHE  19           HB2      PHE  19 -10.283  -1.907  -1.907
  198   2HB   PHE  19           HB1      PHE  19  -9.113  -0.601  -0.601
  199    HD1  PHE  19           HD1      PHE  19  -9.844  -3.720  -3.720
  200    HD2  PHE  19           HD2      PHE  19  -6.865  -0.849  -0.849
  201    HE1  PHE  19           HE1      PHE  19  -8.065  -5.199  -5.199
  202    HE2  PHE  19           HE2      PHE  19  -5.088  -2.322  -2.322
  203    HZ   PHE  19            HZ      PHE  19  -5.689  -4.496  -4.496
  204    H    LYS  20            HN      LYS  20 -12.328  -1.961  -1.961
  205    HA   LYS  20            HA      LYS  20 -12.233  -3.100  -3.100
  206   1HB   LYS  20           HB2      LYS  20 -14.630  -2.714  -2.714
  207   2HB   LYS  20           HB1      LYS  20 -14.661  -3.322  -3.322
  208   1HG   LYS  20           HG2      LYS  20 -13.374  -0.682  -0.682
  209   2HG   LYS  20           HG1      LYS  20 -15.131  -0.777  -0.777
  210   1HD   LYS  20           HD2      LYS  20 -15.171  -1.206  -1.206
  211   2HD   LYS  20           HD1      LYS  20 -13.679  -2.145  -2.145
  212   1HE   LYS  20           HE2      LYS  20 -13.277   0.697   0.697
  213   2HE   LYS  20           HE1      LYS  20 -13.901   0.427   0.427
  214   1HZ   LYS  20           HZ1      LYS  20 -11.633  -1.135  -1.135
  215   2HZ   LYS  20           HZ3      LYS  20 -11.398   0.366   0.366
  216   3HZ   LYS  20           HZ2      LYS  20 -12.099  -0.917  -0.917
  217    H    ARG  21            HN      ARG  21 -13.721  -5.198  -5.198
  218    HA   ARG  21            HA      ARG  21 -12.304  -7.143  -7.143
  219   1HB   ARG  21           HB2      ARG  21 -13.315  -7.484  -7.484
  220   2HB   ARG  21           HB1      ARG  21 -14.898  -7.501  -7.501
  221   1HG   ARG  21           HG2      ARG  21 -14.499  -9.522  -9.522
  222   2HG   ARG  21           HG1      ARG  21 -12.748  -9.293  -9.293
  223   1HD   ARG  21           HD2      ARG  21 -12.525 -10.307 -10.307
  224   2HD   ARG  21           HD1      ARG  21 -13.826  -9.348  -9.348
  225    HE   ARG  21            HE      ARG  21 -14.259 -11.882 -11.882
  226   1HH1  ARG  21          HH21      ARG  21 -16.798 -11.405 -11.405
  227   2HH1  ARG  21          HH22      ARG  21 -17.479 -11.415 -11.415
  228   1HH2  ARG  21          HH11      ARG  21 -14.419 -11.066 -11.066
  229   2HH2  ARG  21          HH12      ARG  21 -16.132 -11.223 -11.223
  230    H    GLY  22            HN      GLY  22 -12.671  -7.122  -7.122
  231   1HA   GLY  22           HA2      GLY  22 -14.187  -8.022  -8.022
  232   2HA   GLY  22           HA1      GLY  22 -15.517  -7.216  -7.216
  233    H    ASP  23            HN      ASP  23 -12.978  -5.077  -5.077
  234    HA   ASP  23            HA      ASP  23 -13.983  -3.577  -3.577
  235   1HB   ASP  23           HB2      ASP  23 -13.193  -2.877  -2.877
  236   2HB   ASP  23           HB1      ASP  23 -11.934  -2.252  -2.252
  237    H    ILE  24            HN      ILE  24 -12.966  -4.498  -4.498
  238    HA   ILE  24            HA      ILE  24 -10.201  -5.281  -5.281
  239    HB   ILE  24            HB      ILE  24 -11.708  -4.645  -4.645
  240   1HG1  ILE  24          HG12      ILE  24 -12.108  -6.951  -6.951
  241   2HG1  ILE  24          HG11      ILE  24 -13.341  -5.944  -5.944
  242   1HG2  ILE  24          HG23      ILE  24  -9.192  -5.477  -5.477
  243   2HG2  ILE  24          HG22      ILE  24  -9.990  -7.041  -7.041
  244   3HG2  ILE  24          HG21      ILE  24 -10.130  -6.038  -6.038
  245   1HD1  ILE  24          HD11      ILE  24 -12.209  -7.022  -7.022
  246   2HD1  ILE  24          HD13      ILE  24 -11.929  -8.326  -8.326
  247   3HD1  ILE  24          HD12      ILE  24 -13.572  -7.760  -7.760
  248    H    LEU  25            HN      LEU  25  -8.406  -4.188  -4.188
  249    HA   LEU  25            HA      LEU  25  -8.705  -1.240  -1.240
  250   1HB   LEU  25           HB2      LEU  25  -6.118  -2.758  -2.758
  251   2HB   LEU  25           HB1      LEU  25  -6.433  -1.056  -1.056
  252    HG   LEU  25            HG      LEU  25  -6.446  -2.045  -2.045
  253   1HD1  LEU  25          HD12      LEU  25  -9.319  -1.910  -1.910
  254   2HD1  LEU  25          HD11      LEU  25  -8.844  -2.043  -2.043
  255   3HD1  LEU  25          HD13      LEU  25  -8.376  -0.629  -0.629
  256   1HD2  LEU  25          HD22      LEU  25  -6.891  -4.414  -4.414
  257   2HD2  LEU  25          HD21      LEU  25  -6.965  -4.206  -4.206
  258   3HD2  LEU  25          HD23      LEU  25  -8.448  -4.167  -4.167
  259    H    LYS  26            HN      LYS  26  -7.142  -0.120  -0.120
  260    HA   LYS  26            HA      LYS  26  -6.896  -1.808  -1.808
  261   1HB   LYS  26           HB2      LYS  26  -7.363   1.114   1.114
  262   2HB   LYS  26           HB1      LYS  26  -6.480   0.644   0.644
  263   1HG   LYS  26           HG2      LYS  26  -8.713   0.630   0.630
  264   2HG   LYS  26           HG1      LYS  26  -8.413  -1.065  -1.065
  265   1HD   LYS  26           HD2      LYS  26 -10.255  -0.934  -0.934
  266   2HD   LYS  26           HD1      LYS  26  -9.239  -0.030  -0.030
  267   1HE   LYS  26           HE2      LYS  26 -11.168   1.329   1.329
  268   2HE   LYS  26           HE1      LYS  26  -9.877   2.062   2.062
  269   1HZ   LYS  26           HZ1      LYS  26 -10.771   0.511   0.511
  270   2HZ   LYS  26           HZ3      LYS  26 -12.184   0.478   0.478
  271   3HZ   LYS  26           HZ2      LYS  26 -11.596   1.957   1.957
  272    H    VAL  27            HN      VAL  27  -4.865  -2.763  -2.763
  273    HA   VAL  27            HA      VAL  27  -2.638  -1.455  -1.455
  274    HB   VAL  27            HB      VAL  27  -2.416  -3.606  -3.606
  275   1HG1  VAL  27          HG11      VAL  27  -0.442  -2.260  -2.260
  276   2HG1  VAL  27          HG13      VAL  27  -0.764  -3.402  -3.402
  277   3HG1  VAL  27          HG12      VAL  27  -0.319  -3.993  -3.993
  278   1HG2  VAL  27          HG23      VAL  27  -3.892  -3.717  -3.717
  279   2HG2  VAL  27          HG22      VAL  27  -3.501  -5.051  -5.051
  280   3HG2  VAL  27          HG21      VAL  27  -2.409  -4.645  -4.645
  281    H    LEU  28            HN      LEU  28  -1.862   0.425   0.425
  282    HA   LEU  28            HA      LEU  28  -1.783   1.080   1.080
  283   1HB   LEU  28           HB2      LEU  28  -0.381   2.724   2.724
  284   2HB   LEU  28           HB1      LEU  28  -1.177   3.260   3.260
  285    HG   LEU  28            HG      LEU  28  -3.138   2.021   2.021
  286   1HD1  LEU  28          HD11      LEU  28  -1.451   4.188   4.188
  287   2HD1  LEU  28          HD13      LEU  28  -3.022   3.667   3.667
  288   3HD1  LEU  28          HD12      LEU  28  -1.665   2.543   2.543
  289   1HD2  LEU  28          HD23      LEU  28  -2.614   4.665   4.665
  290   2HD2  LEU  28          HD22      LEU  28  -4.003   3.592   3.592
  291   3HD2  LEU  28          HD21      LEU  28  -3.836   4.597   4.597
  292    H    ASN  29            HN      ASN  29   0.376   0.129   0.129
  293    HA   ASN  29            HA      ASN  29   2.470  -0.393  -0.393
  294   1HB   ASN  29           HB2      ASN  29   2.998   1.175   1.175
  295   2HB   ASN  29           HB1      ASN  29   4.223   0.642   0.642
  296   1HD2  ASN  29          HD22      ASN  29   3.743   3.420   3.420
  297   2HD2  ASN  29          HD21      ASN  29   4.741   2.144   2.144
  298    H    GLU  30            HN      GLU  30   3.792  -2.138  -2.138
  299    HA   GLU  30            HA      GLU  30   3.199  -3.560  -3.560
  300   1HB   GLU  30           HB2      GLU  30   3.942  -4.741  -4.741
  301   2HB   GLU  30           HB1      GLU  30   3.667  -5.666  -5.666
  302   1HG   GLU  30           HG2      GLU  30   1.362  -5.031  -5.031
  303   2HG   GLU  30           HG1      GLU  30   1.588  -3.820  -3.820
  304    H    GLU  31            HN      GLU  31   5.080  -1.757  -1.757
  305    HA   GLU  31            HA      GLU  31   7.738  -2.503  -2.503
  306   1HB   GLU  31           HB2      GLU  31   6.726  -0.800  -0.800
  307   2HB   GLU  31           HB1      GLU  31   8.434  -0.972  -0.972
  308   1HG   GLU  31           HG2      GLU  31   8.232   0.224   0.224
  309   2HG   GLU  31           HG1      GLU  31   6.542  -0.230  -0.230
  310    H    CYS  32            HN      CYS  32   9.449  -3.263  -3.263
  311    HA   CYS  32            HA      CYS  32   8.678  -5.735  -5.735
  312   1HB   CYS  32           HB2      CYS  32  10.928  -5.671  -5.671
  313   2HB   CYS  32           HB1      CYS  32  10.983  -5.407  -5.407
  314    HG   CYS  32            HG      CYS  32  12.426  -3.554  -3.554
  315    H    ASP  33            HN      ASP  33   8.614  -6.272  -6.272
  316    HA   ASP  33            HA      ASP  33   8.710  -4.450  -4.450
  317   1HB   ASP  33           HB2      ASP  33   6.595  -3.791  -3.791
  318   2HB   ASP  33           HB1      ASP  33   5.917  -5.232  -5.232
  319    H    GLN  34            HN      GLN  34   7.616  -5.437  -5.437
  320    HA   GLN  34            HA      GLN  34   8.315  -8.246  -8.246
  321   1HB   GLN  34           HB2      GLN  34   8.095  -6.209  -6.209
  322   2HB   GLN  34           HB1      GLN  34   7.678  -7.851  -7.851
  323   1HG   GLN  34           HG2      GLN  34   9.969  -7.862  -7.862
  324   2HG   GLN  34           HG1      GLN  34   9.914  -8.463  -8.463
  325   1HE2  GLN  34          HE22      GLN  34  12.294  -5.874  -5.874
  326   2HE2  GLN  34          HE21      GLN  34  12.099  -7.543  -7.543
  327    H    ASN  35            HN      ASN  35   5.556  -6.300  -6.300
  328    HA   ASN  35            HA      ASN  35   3.700  -8.476  -8.476
  329   1HB   ASN  35           HB2      ASN  35   4.236  -7.600  -7.600
  330   2HB   ASN  35           HB1      ASN  35   2.581  -7.952  -7.952
  331   1HD2  ASN  35          HD22      ASN  35   4.755 -11.049 -11.049
  332   2HD2  ASN  35          HD21      ASN  35   4.915  -9.465  -9.465
  333    H    TRP  36            HN      TRP  36   4.253  -5.717  -5.717
  334    HA   TRP  36            HA      TRP  36   1.492  -4.662  -4.662
  335   1HB   TRP  36           HB2      TRP  36   3.867  -2.822  -2.822
  336   2HB   TRP  36           HB1      TRP  36   2.161  -2.385  -2.385
  337    HD1  TRP  36           HD1      TRP  36   4.647  -4.786  -4.786
  338    HE1  TRP  36           HE1      TRP  36   4.020  -4.818  -4.818
  339    HE3  TRP  36           HE3      TRP  36   0.449  -1.782  -1.782
  340    HZ2  TRP  36           HZ2      TRP  36   2.091  -3.725  -3.725
  341    HZ3  TRP  36           HZ3      TRP  36  -0.699  -1.288  -1.288
  342    HH2  TRP  36           HH2      TRP  36   0.100  -2.260  -2.260
  343    H    TYR  37            HN      TYR  37   1.098  -2.908  -2.908
  344    HA   TYR  37            HA      TYR  37   2.865  -2.973  -2.973
  345   1HB   TYR  37           HB2      TYR  37  -0.137  -3.522  -3.522
  346   2HB   TYR  37           HB1      TYR  37   0.893  -3.346  -3.346
  347    HD1  TYR  37           HD1      TYR  37   3.277  -4.994  -4.994
  348    HD2  TYR  37           HD2      TYR  37  -0.964  -5.663  -5.663
  349    HE1  TYR  37           HE1      TYR  37   3.658  -7.449  -7.449
  350    HE2  TYR  37           HE2      TYR  37  -0.610  -8.104  -8.104
  351    HH   TYR  37            HH      TYR  37   1.359  -9.652  -9.652
  352    H    LYS  38            HN      LYS  38   1.240  -1.489  -1.489
  353    HA   LYS  38            HA      LYS  38   0.425   0.931   0.931
  354   1HB   LYS  38           HB2      LYS  38   2.526   1.248   1.248
  355   2HB   LYS  38           HB1      LYS  38   1.526   0.931   0.931
  356   1HG   LYS  38           HG2      LYS  38  -0.039   2.747   2.747
  357   2HG   LYS  38           HG1      LYS  38   1.506   3.264   3.264
  358   1HD   LYS  38           HD2      LYS  38   1.954   2.756   2.756
  359   2HD   LYS  38           HD1      LYS  38   0.463   3.686   3.686
  360   1HE   LYS  38           HE2      LYS  38   1.738   5.231   5.231
  361   2HE   LYS  38           HE1      LYS  38   3.199   4.430   4.430
  362   1HZ   LYS  38           HZ1      LYS  38   1.211   5.620   5.620
  363   2HZ   LYS  38           HZ3      LYS  38   2.497   6.521   6.521
  364   3HZ   LYS  38           HZ2      LYS  38   2.814   5.165   5.165
  365    H    ALA  39            HN      ALA  39  -1.681   1.602   1.602
  366    HA   ALA  39            HA      ALA  39  -2.985   0.853   0.853
  367   1HB   ALA  39           HB2      ALA  39  -2.974  -1.297  -1.297
  368   2HB   ALA  39           HB1      ALA  39  -3.963  -0.492  -0.492
  369   3HB   ALA  39           HB3      ALA  39  -4.593  -0.704  -0.704
  370    H    GLU  40            HN      GLU  40  -5.507   1.073   1.073
  371    HA   GLU  40            HA      GLU  40  -5.963   3.294   3.294
  372   1HB   GLU  40           HB2      GLU  40  -5.461   4.873   4.873
  373   2HB   GLU  40           HB1      GLU  40  -4.994   3.670   3.670
  374   1HG   GLU  40           HG2      GLU  40  -7.531   3.617   3.617
  375   2HG   GLU  40           HG1      GLU  40  -7.641   5.113   5.113
  376    H    LEU  41            HN      LEU  41  -7.927   3.586   3.586
  377    HA   LEU  41            HA      LEU  41 -10.029   1.845   1.845
  378   1HB   LEU  41           HB2      LEU  41  -9.636   3.114   3.114
  379   2HB   LEU  41           HB1      LEU  41 -11.303   2.869   2.869
  380    HG   LEU  41            HG      LEU  41  -9.278   0.695   0.695
  381   1HD1  LEU  41          HD11      LEU  41 -10.703   1.689   1.689
  382   2HD1  LEU  41          HD13      LEU  41 -10.564  -0.056  -0.056
  383   3HD1  LEU  41          HD12      LEU  41  -9.111   0.941   0.941
  384   1HD2  LEU  41          HD23      LEU  41 -11.549   0.730   0.730
  385   2HD2  LEU  41          HD22      LEU  41 -11.217  -0.687  -0.687
  386   3HD2  LEU  41          HD21      LEU  41 -12.260   0.600   0.600
  387    H    ASN  42            HN      ASN  42 -10.665   2.752   2.752
  388    HA   ASN  42            HA      ASN  42 -11.685   4.318   4.318
  389   1HB   ASN  42           HB2      ASN  42 -13.263   3.940   3.940
  390   2HB   ASN  42           HB1      ASN  42 -13.796   5.203   5.203
  391   1HD2  ASN  42          HD22      ASN  42 -14.091   1.273   1.273
  392   2HD2  ASN  42          HD21      ASN  42 -13.199   1.704   1.704
  393    H    GLY  43            HN      GLY  43  -9.645   5.695   5.695
  394   1HA   GLY  43           HA2      GLY  43  -9.680   8.289   8.289
  395   2HA   GLY  43           HA1      GLY  43 -10.879   8.324   8.324
  396    H    LYS  44            HN      LYS  44  -9.724   6.563   6.563
  397    HA   LYS  44            HA      LYS  44  -7.570   8.159   8.159
  398   1HB   LYS  44           HB2      LYS  44  -9.215   5.893   5.893
  399   2HB   LYS  44           HB1      LYS  44  -7.608   6.173   6.173
  400   1HG   LYS  44           HG2      LYS  44  -8.126   8.312   8.312
  401   2HG   LYS  44           HG1      LYS  44  -9.516   8.456   8.456
  402   1HD   LYS  44           HD2      LYS  44 -10.300   8.099   8.099
  403   2HD   LYS  44           HD1      LYS  44 -10.686   6.688   6.688
  404   1HE   LYS  44           HE2      LYS  44  -8.454   5.716   5.716
  405   2HE   LYS  44           HE1      LYS  44  -8.471   6.995   6.995
  406   1HZ   LYS  44           HZ2      LYS  44 -10.863   5.326   5.326
  407   2HZ   LYS  44           HZ1      LYS  44  -9.543   4.701   4.701
  408   3HZ   LYS  44           HZ3      LYS  44 -10.302   6.120   6.120
  409    H    ASP  45            HN      ASP  45  -5.586   7.127   7.127
  410    HA   ASP  45            HA      ASP  45  -4.922   4.784   4.784
  411   1HB   ASP  45           HB2      ASP  45  -3.229   7.217   7.217
  412   2HB   ASP  45           HB1      ASP  45  -3.259   5.809   5.809
  413    H    GLY  46            HN      GLY  46  -2.389   4.385   4.385
  414   1HA   GLY  46           HA2      GLY  46  -0.529   4.989   4.989
  415   2HA   GLY  46           HA1      GLY  46  -1.739   4.970   4.970
  416    H    PHE  47            HN      PHE  47   0.300   3.530   3.530
  417    HA   PHE  47            HA      PHE  47   0.782   0.997   0.997
  418   1HB   PHE  47           HB2      PHE  47   0.912   2.165   2.165
  419   2HB   PHE  47           HB1      PHE  47   1.243   0.454   0.454
  420    HD1  PHE  47           HD2      PHE  47   2.078   2.986   2.986
  421    HD2  PHE  47           HD1      PHE  47   3.577   0.609   0.609
  422    HE1  PHE  47           HE2      PHE  47   4.401   3.517   3.517
  423    HE2  PHE  47           HE1      PHE  47   5.898   1.149   1.149
  424    HZ   PHE  47            HZ      PHE  47   6.310   2.600   2.600
  425    H    ILE  48            HN      ILE  48   0.121  -1.168  -1.168
  426    HA   ILE  48            HA      ILE  48  -2.411  -1.365  -1.365
  427    HB   ILE  48            HB      ILE  48  -3.371  -2.819  -2.819
  428   1HG1  ILE  48          HG12      ILE  48  -1.838  -1.240  -1.240
  429   2HG1  ILE  48          HG11      ILE  48  -0.918  -2.502  -2.502
  430   1HG2  ILE  48          HG21      ILE  48  -4.186  -0.545  -0.545
  431   2HG2  ILE  48          HG23      ILE  48  -3.013   0.133   0.133
  432   3HG2  ILE  48          HG22      ILE  48  -4.321  -0.891  -0.891
  433   1HD1  ILE  48          HD13      ILE  48  -3.627  -3.290  -3.290
  434   2HD1  ILE  48          HD12      ILE  48  -2.457  -2.959  -2.959
  435   3HD1  ILE  48          HD11      ILE  48  -2.111  -4.190  -4.190
  436    HA   PRO  49            HA      PRO  49   0.413  -4.704  -4.704
  437   1HB   PRO  49           HB2      PRO  49  -1.146  -5.745  -5.745
  438   2HB   PRO  49           HB1      PRO  49   0.014  -4.413  -4.413
  439   1HG   PRO  49           HG2      PRO  49  -2.988  -4.300  -4.300
  440   2HG   PRO  49           HG1      PRO  49  -1.912  -3.244  -3.244
  441   1HD   PRO  49           HD2      PRO  49  -2.964  -2.524  -2.524
  442   2HD   PRO  49           HD1      PRO  49  -1.484  -1.868  -1.868
  443    H    LYS  50            HN      LYS  50   0.393  -6.220  -6.220
  444    HA   LYS  50            HA      LYS  50  -1.740  -7.430  -7.430
  445   1HB   LYS  50           HB2      LYS  50   0.519  -7.521  -7.521
  446   2HB   LYS  50           HB1      LYS  50   1.059  -8.399  -8.399
  447   1HG   LYS  50           HG2      LYS  50  -1.163  -9.752  -9.752
  448   2HG   LYS  50           HG1      LYS  50   0.230  -9.539  -9.539
  449   1HD   LYS  50           HD2      LYS  50   1.525 -10.317 -10.317
  450   2HD   LYS  50           HD1      LYS  50  -0.014 -11.160 -11.160
  451   1HE   LYS  50           HE2      LYS  50   0.190 -12.298 -12.298
  452   2HE   LYS  50           HE1      LYS  50   1.577 -11.310 -11.310
  453   1HZ   LYS  50           HZ1      LYS  50   1.581 -13.046 -13.046
  454   2HZ   LYS  50           HZ3      LYS  50   2.086 -13.598 -13.598
  455   3HZ   LYS  50           HZ2      LYS  50   2.910 -12.318 -12.318
  456    H    ASN  51            HN      ASN  51  -0.642  -8.142  -8.142
  457    HA   ASN  51            HA      ASN  51  -1.455 -10.789 -10.789
  458   1HB   ASN  51           HB2      ASN  51  -0.861  -8.628  -8.628
  459   2HB   ASN  51           HB1      ASN  51  -1.745  -9.967  -9.967
  460   1HD2  ASN  51          HD22      ASN  51   1.007 -12.214 -12.214
  461   2HD2  ASN  51          HD21      ASN  51  -0.673 -12.086 -12.086
  462    H    TYR  52            HN      TYR  52  -3.156  -7.822  -7.822
  463    HA   TYR  52            HA      TYR  52  -5.725  -9.061  -9.061
  464   1HB   TYR  52           HB2      TYR  52  -4.718  -6.247  -6.247
  465   2HB   TYR  52           HB1      TYR  52  -6.436  -6.586  -6.586
  466    HD1  TYR  52           HD1      TYR  52  -3.293  -6.501  -6.501
  467    HD2  TYR  52           HD2      TYR  52  -7.485  -7.257  -7.257
  468    HE1  TYR  52           HE1      TYR  52  -3.273  -6.349  -6.349
  469    HE2  TYR  52           HE2      TYR  52  -7.458  -7.119  -7.119
  470    HH   TYR  52            HH      TYR  52  -5.113  -5.740  -5.740
  471    H    ILE  53            HN      ILE  53  -4.183  -9.370  -9.370
  472    HA   ILE  53            HA      ILE  53  -6.401  -8.708  -8.708
  473    HB   ILE  53            HB      ILE  53  -3.735  -7.863  -7.863
  474   1HG1  ILE  53          HG12      ILE  53  -5.632  -6.059  -6.059
  475   2HG1  ILE  53          HG11      ILE  53  -4.142  -6.711  -6.711
  476   1HG2  ILE  53          HG21      ILE  53  -6.521  -7.386  -7.386
  477   2HG2  ILE  53          HG23      ILE  53  -5.376  -6.087  -6.087
  478   3HG2  ILE  53          HG22      ILE  53  -5.096  -7.662  -7.662
  479   1HD1  ILE  53          HD12      ILE  53  -3.510  -5.579  -5.579
  480   2HD1  ILE  53          HD11      ILE  53  -4.488  -4.409  -4.409
  481   3HD1  ILE  53          HD13      ILE  53  -3.000  -5.026  -5.026
  482    H    GLU  54            HN      GLU  54  -5.958  -9.402  -9.402
  483    HA   GLU  54            HA      GLU  54  -4.000 -11.438 -11.438
  484   1HB   GLU  54           HB2      GLU  54  -6.838 -11.996 -11.996
  485   2HB   GLU  54           HB1      GLU  54  -6.147 -12.594 -12.594
  486   1HG   GLU  54           HG2      GLU  54  -4.223 -13.359 -13.359
  487   2HG   GLU  54           HG1      GLU  54  -5.665 -13.490 -13.490
  488    H    MET  55            HN      MET  55  -3.547 -11.666 -11.666
  489    HA   MET  55            HA      MET  55  -4.179  -9.248  -9.248
  490   1HB   MET  55           HB2      MET  55  -1.910 -10.591 -10.591
  491   2HB   MET  55           HB1      MET  55  -2.578 -11.481 -11.481
  492   1HG   MET  55           HG2      MET  55  -2.708  -9.537  -9.537
  493   2HG   MET  55           HG1      MET  55  -2.522  -8.464  -8.464
  494   1HE   MET  55           HE1      MET  55  -0.779  -7.550  -7.550
  495   2HE   MET  55           HE3      MET  55   0.057  -8.882  -8.882
  496   3HE   MET  55           HE2      MET  55   0.935  -7.826  -7.826
  497    H    LYS  56            HN      LYS  56  -6.086  -9.210  -9.210
  498    HA   LYS  56            HA      LYS  56  -6.787 -11.554 -11.554
  499   1HB   LYS  56           HB2      LYS  56  -8.349  -9.702  -9.702
  500   2HB   LYS  56           HB1      LYS  56  -9.068 -10.315 -10.315
  501   1HG   LYS  56           HG2      LYS  56  -8.712 -12.592 -12.592
  502   2HG   LYS  56           HG1      LYS  56  -7.733 -12.055 -12.055
  503   1HD   LYS  56           HD2      LYS  56 -10.036 -12.726 -12.726
  504   2HD   LYS  56           HD1      LYS  56  -9.692 -11.037 -11.037
  505   1HE   LYS  56           HE2      LYS  56 -10.822 -10.424 -10.424
  506   2HE   LYS  56           HE1      LYS  56 -11.299 -12.114 -12.114
  507   1HZ   LYS  56           HZ3      LYS  56 -11.901 -10.682 -10.682
  508   2HZ   LYS  56           HZ2      LYS  56 -12.889 -10.433 -10.433
  509   3HZ   LYS  56           HZ1      LYS  56 -12.712 -11.993 -11.993
  510    HA   PRO  57            HA      PRO  57  -6.656  -9.056  -9.056
  511   1HB   PRO  57           HB2      PRO  57  -8.331 -10.388 -10.388
  512   2HB   PRO  57           HB1      PRO  57  -6.687 -10.923 -10.923
  513   1HG   PRO  57           HG2      PRO  57  -9.272 -11.982 -11.982
  514   2HG   PRO  57           HG1      PRO  57  -7.715 -12.782 -12.782
  515   1HD   PRO  57           HD2      PRO  57  -8.891 -11.764 -11.764
  516   2HD   PRO  57           HD1      PRO  57  -7.219 -12.335 -12.335
  517    H    HIS  58            HN      HIS  58  -8.606  -8.440  -8.440
  518    HA   HIS  58            HA      HIS  58 -10.677  -7.039  -7.039
  519   1HB   HIS  58           HB2      HIS  58  -8.862  -6.091  -6.091
  520   2HB   HIS  58           HB1      HIS  58 -10.526  -5.844  -5.844
  521    HD1  HIS  58           HD1      HIS  58 -11.914  -4.082  -4.082
  522    HD2  HIS  58           HD2      HIS  58  -8.186  -4.711  -4.711
  523    HE1  HIS  58           HE1      HIS  58 -11.618  -2.253  -2.253
  524    HA   PRO  59            HA      PRO  59 -13.636  -9.424  -9.424
  525   1HB   PRO  59           HB2      PRO  59 -15.892  -7.928  -7.928
  526   2HB   PRO  59           HB1      PRO  59 -15.144  -9.000  -9.000
  527   1HG   PRO  59           HG2      PRO  59 -15.108  -6.022  -6.022
  528   2HG   PRO  59           HG1      PRO  59 -14.913  -7.086  -7.086
  529   1HD   PRO  59           HD2      PRO  59 -12.826  -5.752  -5.752
  530   2HD   PRO  59           HD1      PRO  59 -12.630  -7.014  -7.014
  531    H    GLU  60            HN      GLU  60 -15.896  -8.478  -8.478
  532    HA   GLU  60            HA      GLU  60 -16.619  -7.452  -7.452
  533   1HB   GLU  60           HB2      GLU  60 -15.570  -5.365  -5.365
  534   2HB   GLU  60           HB1      GLU  60 -14.185  -5.659  -5.659
  535   1HG   GLU  60           HG2      GLU  60 -15.359  -5.150  -5.150
  536   2HG   GLU  60           HG1      GLU  60 -16.905  -5.656  -5.656
  537    H    PHE  61            HN      PHE  61 -16.409  -8.736  -8.736
  538    HA   PHE  61            HA      PHE  61 -13.906  -8.800  -8.800
  539   1HB   PHE  61           HB2      PHE  61 -14.179 -10.737 -10.737
  540   2HB   PHE  61           HB1      PHE  61 -14.784 -11.560 -11.560
  541    HD1  PHE  61           HD2      PHE  61 -11.946  -9.315  -9.315
  542    HD2  PHE  61           HD1      PHE  61 -13.229 -12.628 -12.628
  543    HE1  PHE  61           HE2      PHE  61  -9.617  -9.645  -9.645
  544    HE2  PHE  61           HE1      PHE  61 -10.905 -12.955 -12.955
  545    HZ   PHE  61            HZ      PHE  61  -9.098 -11.466 -11.466
  546    H    ILE  62            HN      ILE  62 -17.126 -10.313 -10.313
  547    HA   ILE  62            HA      ILE  62 -17.667  -9.822  -9.822
  548    HB   ILE  62            HB      ILE  62 -18.217 -12.433 -12.433
  549   1HG1  ILE  62          HG12      ILE  62 -17.005 -13.161 -13.161
  550   2HG1  ILE  62          HG11      ILE  62 -16.332 -11.535 -11.535
  551   1HG2  ILE  62          HG23      ILE  62 -19.215 -11.400 -11.400
  552   2HG2  ILE  62          HG22      ILE  62 -19.164 -13.120 -13.120
  553   3HG2  ILE  62          HG21      ILE  62 -20.171 -12.034 -12.034
  554   1HD1  ILE  62          HD11      ILE  62 -16.310 -13.035 -13.035
  555   2HD1  ILE  62          HD13      ILE  62 -15.323 -13.758 -13.758
  556   3HD1  ILE  62          HD12      ILE  62 -15.035 -12.094 -12.094
  557    H    VAL  63            HN      VAL  63 -19.851  -9.245  -9.245
  558    HA   VAL  63            HA      VAL  63 -21.453  -8.685  -8.685
  559    HB   VAL  63            HB      VAL  63 -21.735  -7.457  -7.457
  560   1HG1  VAL  63          HG12      VAL  63 -22.947  -6.874  -6.874
  561   2HG1  VAL  63          HG11      VAL  63 -22.966  -5.703  -5.703
  562   3HG1  VAL  63          HG13      VAL  63 -23.791  -7.252  -7.252
  563   1HG2  VAL  63          HG21      VAL  63 -19.540  -7.010  -7.010
  564   2HG2  VAL  63          HG23      VAL  63 -20.488  -5.584  -5.584
  565   3HG2  VAL  63          HG22      VAL  63 -20.509  -6.202  -6.202
  566    H    THR  64            HN      THR  64 -23.814  -8.982  -8.982
  567    HA   THR  64            HA      THR  64 -24.463 -11.365 -11.365
  568    HB   THR  64            HB      THR  64 -26.615 -11.193 -11.193
  569    HG1  THR  64           HG1      THR  64 -26.004 -10.253 -10.253
  570   1HG2  THR  64          HG22      THR  64 -24.629 -12.867 -12.867
  571   2HG2  THR  64          HG21      THR  64 -24.051 -11.929 -11.929
  572   3HG2  THR  64          HG23      THR  64 -25.619 -12.733 -12.733
  573    H    ASP  65            HN      ASP  65 -25.579  -8.061  -8.061
  574    HA   ASP  65            HA      ASP  65 -26.988  -8.067  -8.067
  575   1HB   ASP  65           HB2      ASP  65 -28.284  -7.330  -7.330
  576   2HB   ASP  65           HB1      ASP  65 -28.986  -6.991  -6.991
  577   1H    SER   1           HT3      SER   1 -14.922 -16.789 -16.789
  578   2H    SER   1           HT2      SER   1 -15.650 -15.545 -15.545
  579   3H    SER   1           HT1      SER   1 -14.062 -16.033 -16.033
  580    HA   SER   1            HA      SER   1 -13.866 -14.022 -14.022
  581   1HB   SER   1           HB2      SER   1 -16.307 -14.567 -14.567
  582   2HB   SER   1           HB1      SER   1 -15.340 -15.065 -15.065
  583    HG   SER   1            HG      SER   1 -15.404 -12.981 -12.981
  584    HA   PRO   2            HA      PRO   2 -10.906 -16.972 -16.972
  585   1HB   PRO   2           HB2      PRO   2  -8.653 -15.851 -15.851
  586   2HB   PRO   2           HB1      PRO   2  -9.614 -17.109 -17.109
  587   1HG   PRO   2           HG2      PRO   2  -9.477 -14.188 -14.188
  588   2HG   PRO   2           HG1      PRO   2  -9.886 -15.540 -15.540
  589   1HD   PRO   2           HD2      PRO   2 -11.734 -13.761 -13.761
  590   2HD   PRO   2           HD1      PRO   2 -12.132 -15.294 -15.294
  591    H    LEU   3            HN      LEU   3  -8.459 -15.929 -15.929
  592    HA   LEU   3            HA      LEU   3  -9.336 -13.688 -13.688
  593   1HB   LEU   3           HB2      LEU   3  -7.059 -14.620 -14.620
  594   2HB   LEU   3           HB1      LEU   3  -8.697 -15.034 -15.034
  595    HG   LEU   3            HG      LEU   3  -7.268 -17.036 -17.036
  596   1HD1  LEU   3          HD11      LEU   3  -9.788 -16.755 -16.755
  597   2HD1  LEU   3          HD13      LEU   3  -8.876 -17.642 -17.642
  598   3HD1  LEU   3          HD12      LEU   3  -8.996 -18.273 -18.273
  599   1HD2  LEU   3          HD21      LEU   3  -6.157 -15.789 -15.789
  600   2HD2  LEU   3          HD23      LEU   3  -5.798 -17.411 -17.411
  601   3HD2  LEU   3          HD22      LEU   3  -7.020 -17.167 -17.167
  602    H    LEU   4            HN      LEU   4  -8.221 -11.799 -11.799
  603    HA   LEU   4            HA      LEU   4  -5.618 -11.722 -11.722
  604   1HB   LEU   4           HB2      LEU   4  -7.717  -9.574  -9.574
  605   2HB   LEU   4           HB1      LEU   4  -6.302  -9.858  -9.858
  606    HG   LEU   4            HG      LEU   4  -8.758 -11.636 -11.636
  607   1HD1  LEU   4          HD12      LEU   4  -8.998  -9.479  -9.479
  608   2HD1  LEU   4          HD11      LEU   4  -7.679 -10.007 -10.007
  609   3HD1  LEU   4          HD13      LEU   4  -9.193 -10.916 -10.916
  610   1HD2  LEU   4          HD22      LEU   4  -6.123 -12.376 -12.376
  611   2HD2  LEU   4          HD21      LEU   4  -7.581 -13.281 -13.281
  612   3HD2  LEU   4          HD23      LEU   4  -6.899 -12.157 -12.157
  613    HA   PRO   5            HA      PRO   5  -4.831  -9.455  -9.455
  614   1HB   PRO   5           HB2      PRO   5  -2.107  -9.216  -9.216
  615   2HB   PRO   5           HB1      PRO   5  -2.919 -10.686 -10.686
  616   1HG   PRO   5           HG2      PRO   5  -1.666 -10.133 -10.133
  617   2HG   PRO   5           HG1      PRO   5  -1.927 -11.685 -11.685
  618   1HD   PRO   5           HD2      PRO   5  -3.503 -10.614 -10.614
  619   2HD   PRO   5           HD1      PRO   5  -3.905 -12.022 -12.022
  620    H    LYS   6            HN      LYS   6  -2.127  -8.019  -8.019
  621    HA   LYS   6            HA      LYS   6  -3.612  -5.575  -5.575
  622   1HB   LYS   6           HB2      LYS   6  -1.625  -5.707  -5.707
  623   2HB   LYS   6           HB1      LYS   6  -1.892  -4.209  -4.209
  624   1HG   LYS   6           HG2      LYS   6  -4.469  -4.964  -4.964
  625   2HG   LYS   6           HG1      LYS   6  -3.661  -5.589  -5.589
  626   1HD   LYS   6           HD2      LYS   6  -2.677  -2.926  -2.926
  627   2HD   LYS   6           HD1      LYS   6  -4.437  -2.912  -2.912
  628   1HE   LYS   6           HE2      LYS   6  -4.432  -3.609  -3.609
  629   2HE   LYS   6           HE1      LYS   6  -2.845  -4.367  -4.367
  630   1HZ   LYS   6           HZ2      LYS   6  -3.153  -1.450  -1.450
  631   2HZ   LYS   6           HZ1      LYS   6  -3.041  -2.142  -2.142
  632   3HZ   LYS   6           HZ3      LYS   6  -1.772  -2.337  -2.337
  633    H    LEU   7            HN      LEU   7  -2.029  -3.903  -3.903
  634    HA   LEU   7            HA      LEU   7   0.105  -5.502  -5.502
  635   1HB   LEU   7           HB2      LEU   7  -1.820  -4.933  -4.933
  636   2HB   LEU   7           HB1      LEU   7  -1.462  -3.228  -3.228
  637    HG   LEU   7            HG      LEU   7   0.467  -3.303  -3.303
  638   1HD1  LEU   7          HD13      LEU   7   1.589  -5.161  -5.161
  639   2HD1  LEU   7          HD12      LEU   7   0.659  -6.322  -6.322
  640   3HD1  LEU   7          HD11      LEU   7   1.840  -5.280  -5.280
  641   1HD2  LEU   7          HD21      LEU   7  -1.448  -5.412  -5.412
  642   2HD2  LEU   7          HD23      LEU   7  -1.273  -3.741  -3.741
  643   3HD2  LEU   7          HD22      LEU   7  -0.034  -4.930  -4.930
  644    HA   PRO   8            HA      PRO   8   2.271  -1.632  -1.632
  645   1HB   PRO   8           HB2      PRO   8   3.379  -2.666  -2.666
  646   2HB   PRO   8           HB1      PRO   8   1.818  -1.850  -1.850
  647   1HG   PRO   8           HG2      PRO   8   2.449  -4.748  -4.748
  648   2HG   PRO   8           HG1      PRO   8   1.045  -3.853  -3.853
  649   1HD   PRO   8           HD2      PRO   8   1.104  -5.464  -5.464
  650   2HD   PRO   8           HD1      PRO   8  -0.144  -4.312  -4.312
  651    HA   PRO   9            HA      PRO   9   6.031  -3.792  -3.792
  652   1HB   PRO   9           HB2      PRO   9   8.106  -2.743  -2.743
  653   2HB   PRO   9           HB1      PRO   9   7.312  -1.869  -1.869
  654   1HG   PRO   9           HG2      PRO   9   7.091  -1.416  -1.416
  655   2HG   PRO   9           HG1      PRO   9   6.781  -0.290  -0.290
  656   1HD   PRO   9           HD2      PRO   9   4.833  -1.697  -1.697
  657   2HD   PRO   9           HD1      PRO   9   4.532  -0.738  -0.738
  658    H    LYS  10            HN      LYS  10   4.771  -5.583  -5.583
  659    HA   LYS  10            HA      LYS  10   6.733  -7.223  -7.223
  660   1HB   LYS  10           HB2      LYS  10   6.499  -5.506  -5.506
  661   2HB   LYS  10           HB1      LYS  10   4.775  -5.865  -5.865
  662   1HG   LYS  10           HG2      LYS  10   5.404  -8.275  -8.275
  663   2HG   LYS  10           HG1      LYS  10   7.073  -7.729  -7.729
  664   1HD   LYS  10           HD2      LYS  10   6.247  -7.675  -7.675
  665   2HD   LYS  10           HD1      LYS  10   6.128  -5.998  -5.998
  666   1HE   LYS  10           HE2      LYS  10   3.737  -6.544  -6.544
  667   2HE   LYS  10           HE1      LYS  10   3.910  -8.046  -8.046
  668   1HZ   LYS  10           HZ1      LYS  10   4.607  -6.592  -6.592
  669   2HZ   LYS  10           HZ3      LYS  10   4.039  -5.272  -5.272
  670   3HZ   LYS  10           HZ2      LYS  10   2.968  -6.509  -6.509
  671    H    THR  11            HN      THR  11   3.218  -6.415  -6.415
  672    HA   THR  11            HA      THR  11   2.556  -9.307  -9.307
  673    HB   THR  11            HB      THR  11   0.182  -7.724  -7.724
  674    HG1  THR  11           HG1      THR  11   0.475  -6.178  -6.178
  675   1HG2  THR  11          HG22      THR  11   1.525  -9.111  -9.111
  676   2HG2  THR  11          HG21      THR  11  -0.161  -8.596  -8.596
  677   3HG2  THR  11          HG23      THR  11   0.399  -9.852  -9.852
  678    H    TYR  12            HN      TYR  12  -0.027  -8.859  -8.859
  679    HA   TYR  12            HA      TYR  12   1.249  -8.194  -8.194
  680   1HB   TYR  12           HB2      TYR  12   0.154 -10.855 -10.855
  681   2HB   TYR  12           HB1      TYR  12   0.123 -10.364 -10.364
  682    HD1  TYR  12           HD2      TYR  12   2.428  -9.160  -9.160
  683    HD2  TYR  12           HD1      TYR  12   2.039 -12.031 -12.031
  684    HE1  TYR  12           HE2      TYR  12   4.836  -9.715  -9.715
  685    HE2  TYR  12           HE1      TYR  12   4.447 -12.586 -12.586
  686    HH   TYR  12            HH      TYR  12   6.575 -11.229 -11.229
  687    H    LYS  13            HN      LYS  13  -1.945  -8.546  -8.546
  688    HA   LYS  13            HA      LYS  13  -3.080  -7.233  -7.233
  689   1HB   LYS  13           HB2      LYS  13  -4.141  -9.625  -9.625
  690   2HB   LYS  13           HB1      LYS  13  -5.205  -8.609  -8.609
  691   1HG   LYS  13           HG2      LYS  13  -3.672  -8.881  -8.881
  692   2HG   LYS  13           HG1      LYS  13  -2.678  -9.970  -9.970
  693   1HD   LYS  13           HD2      LYS  13  -5.538 -10.678 -10.678
  694   2HD   LYS  13           HD1      LYS  13  -4.783 -10.759 -10.759
  695   1HE   LYS  13           HE2      LYS  13  -2.859 -11.964 -11.964
  696   2HE   LYS  13           HE1      LYS  13  -4.273 -12.406 -12.406
  697   1HZ   LYS  13           HZ3      LYS  13  -5.315 -13.203 -13.203
  698   2HZ   LYS  13           HZ2      LYS  13  -3.869 -12.885 -12.885
  699   3HZ   LYS  13           HZ1      LYS  13  -3.906 -14.058 -14.058
  700    H    ARG  14            HN      ARG  14  -5.588  -7.898  -7.898
  701    HA   ARG  14            HA      ARG  14  -5.379  -5.583  -5.583
  702   1HB   ARG  14           HB2      ARG  14  -7.007  -4.107  -4.107
  703   2HB   ARG  14           HB1      ARG  14  -5.517  -4.310  -4.310
  704   1HG   ARG  14           HG2      ARG  14  -6.865  -4.875  -4.875
  705   2HG   ARG  14           HG1      ARG  14  -7.047  -6.423  -6.423
  706   1HD   ARG  14           HD2      ARG  14  -9.274  -5.738  -5.738
  707   2HD   ARG  14           HD1      ARG  14  -8.948  -5.232  -5.232
  708    HE   ARG  14            HE      ARG  14  -8.541  -3.260  -3.260
  709   1HH1  ARG  14          HH11      ARG  14  -8.924  -3.339  -3.339
  710   2HH1  ARG  14          HH12      ARG  14 -10.331  -2.333  -2.333
  711   1HH2  ARG  14          HH21      ARG  14 -10.937  -2.431  -2.431
  712   2HH2  ARG  14          HH22      ARG  14 -11.471  -1.819  -1.819
  713    H    GLU  15            HN      GLU  15  -7.655  -4.925  -4.925
  714    HA   GLU  15            HA      GLU  15  -9.641  -5.597  -5.597
  715   1HB   GLU  15           HB2      GLU  15  -9.677  -6.947  -6.947
  716   2HB   GLU  15           HB1      GLU  15 -10.678  -7.724  -7.724
  717   1HG   GLU  15           HG2      GLU  15 -11.871  -5.654  -5.654
  718   2HG   GLU  15           HG1      GLU  15 -10.785  -4.766  -4.766

  Start of MODEL   14
    1   1H    GLY  -8           HT3      GLY  -8  13.411  -5.318  -5.318
    2   2H    GLY  -8           HT2      GLY  -8  12.593  -4.621  -4.621
    3   3H    GLY  -8           HT1      GLY  -8  14.291  -4.593  -4.593
    4   1HA   GLY  -8           HA1      GLY  -8  14.106  -3.066  -3.066
    5   2HA   GLY  -8           HA2      GLY  -8  13.249  -2.316  -2.316
    6    H    SER  -7            HN      SER  -7  12.188  -1.173  -1.173
    7    HA   SER  -7            HA      SER  -7  11.655  -2.535  -2.535
    8   1HB   SER  -7           HB2      SER  -7  11.659   0.373   0.373
    9   2HB   SER  -7           HB1      SER  -7  11.052  -0.170  -0.170
   10    HG   SER  -7            HG      SER  -7  13.518   0.364   0.364
   11    H    ARG  -6            HN      ARG  -6   9.454  -1.427  -1.427
   12    HA   ARG  -6            HA      ARG  -6   7.351  -2.217  -2.217
   13   1HB   ARG  -6           HB2      ARG  -6   7.574  -2.148  -2.148
   14   2HB   ARG  -6           HB1      ARG  -6   5.972  -1.888  -1.888
   15   1HG   ARG  -6           HG2      ARG  -6   6.260  -3.980  -3.980
   16   2HG   ARG  -6           HG1      ARG  -6   7.793  -4.259  -4.259
   17   1HD   ARG  -6           HD2      ARG  -6   6.771  -4.722  -4.722
   18   2HD   ARG  -6           HD1      ARG  -6   5.339  -3.769  -3.769
   19    HE   ARG  -6            HE      ARG  -6   5.896  -6.491  -6.491
   20   1HH1  ARG  -6          HH11      ARG  -6   4.042  -4.865  -4.865
   21   2HH1  ARG  -6          HH12      ARG  -6   2.494  -5.257  -5.257
   22   1HH2  ARG  -6          HH21      ARG  -6   3.800  -6.570  -6.570
   23   2HH2  ARG  -6          HH22      ARG  -6   2.356  -6.223  -6.223
   24    H    ARG  -5            HN      ARG  -5   7.927  -0.013  -0.013
   25    HA   ARG  -5            HA      ARG  -5   7.045   2.402   2.402
   26   1HB   ARG  -5           HB2      ARG  -5   7.909   1.692   1.692
   27   2HB   ARG  -5           HB1      ARG  -5   7.071   3.220   3.220
   28   1HG   ARG  -5           HG2      ARG  -5   8.744   4.019   4.019
   29   2HG   ARG  -5           HG1      ARG  -5   9.410   2.406   2.406
   30   1HD   ARG  -5           HD2      ARG  -5   9.869   2.464   2.464
   31   2HD   ARG  -5           HD1      ARG  -5   9.700   4.210   4.210
   32    HE   ARG  -5            HE      ARG  -5  11.483   3.574   3.574
   33   1HH1  ARG  -5          HH21      ARG  -5  11.713   4.431   4.431
   34   2HH1  ARG  -5          HH22      ARG  -5  13.207   3.624   3.624
   35   1HH2  ARG  -5          HH11      ARG  -5  13.224   1.835   1.835
   36   2HH2  ARG  -5          HH12      ARG  -5  14.062   2.154   2.154
   37    H    ALA  -4            HN      ALA  -4   5.556   0.023   0.023
   38    HA   ALA  -4            HA      ALA  -4   2.989   1.555   1.555
   39   1HB   ALA  -4           HB2      ALA  -4   4.255   0.028   0.028
   40   2HB   ALA  -4           HB1      ALA  -4   2.501  -0.054  -0.054
   41   3HB   ALA  -4           HB3      ALA  -4   3.294   1.506   1.506
   42    H    SER  -3            HN      SER  -3   1.166  -0.323  -0.323
   43    HA   SER  -3            HA      SER  -3  -0.028  -2.151  -2.151
   44   1HB   SER  -3           HB2      SER  -3   2.225  -3.252  -3.252
   45   2HB   SER  -3           HB1      SER  -3   2.536  -3.437  -3.437
   46    HG   SER  -3            HG      SER  -3   0.886  -4.835  -4.835
   47    H    VAL  -2            HN      VAL  -2   0.648   0.124   0.124
   48    HA   VAL  -2            HA      VAL  -2   1.302  -0.920  -0.920
   49    HB   VAL  -2            HB      VAL  -2   0.570   1.356   1.356
   50   1HG1  VAL  -2          HG13      VAL  -2   2.869   0.688   0.688
   51   2HG1  VAL  -2          HG12      VAL  -2   2.307   1.767   1.767
   52   3HG1  VAL  -2          HG11      VAL  -2   2.510   2.375   2.375
   53   1HG2  VAL  -2          HG22      VAL  -2  -1.120   1.458   1.458
   54   2HG2  VAL  -2          HG21      VAL  -2  -0.318   2.941   2.941
   55   3HG2  VAL  -2          HG23      VAL  -2   0.262   2.076   2.076
   56    H    GLY  -1            HN      GLY  -1  -0.275  -0.821  -0.821
   57   1HA   GLY  -1           HA2      GLY  -1  -3.019  -0.488  -0.488
   58   2HA   GLY  -1           HA1      GLY  -1  -2.766  -2.126  -2.126
   59    H    SER   0            HN      SER   0  -3.816  -0.830  -0.830
   60    HA   SER   0            HA      SER   0  -2.036  -2.232  -2.232
   61   1HB   SER   0           HB2      SER   0  -3.942  -1.124  -1.124
   62   2HB   SER   0           HB1      SER   0  -2.505  -0.245  -0.245
   63    HG   SER   0            HG      SER   0  -4.605   0.795   0.795
   64    H    MET   1            HN      MET   1  -3.167  -3.538  -3.538
   65    HA   MET   1            HA      MET   1  -5.462  -5.041  -5.041
   66   1HB   MET   1           HB2      MET   1  -3.036  -5.908  -5.908
   67   2HB   MET   1           HB1      MET   1  -4.537  -6.805  -6.805
   68   1HG   MET   1           HG2      MET   1  -3.416  -7.883  -7.883
   69   2HG   MET   1           HG1      MET   1  -4.747  -6.964  -6.964
   70   1HE   MET   1           HE2      MET   1  -4.457  -6.568  -6.568
   71   2HE   MET   1           HE1      MET   1  -3.495  -5.271  -5.271
   72   3HE   MET   1           HE3      MET   1  -2.911  -6.941  -6.941
   73    H    GLU   2            HN      GLU   2  -6.439  -6.388  -6.388
   74    HA   GLU   2            HA      GLU   2  -7.006  -4.285  -4.285
   75   1HB   GLU   2           HB2      GLU   2  -8.749  -5.735  -5.735
   76   2HB   GLU   2           HB1      GLU   2  -9.077  -6.231  -6.231
   77   1HG   GLU   2           HG2      GLU   2  -8.895  -3.552  -3.552
   78   2HG   GLU   2           HG1      GLU   2  -9.499  -3.599  -3.599
   79    H    ALA   3            HN      ALA   3  -7.830  -5.476  -5.476
   80    HA   ALA   3            HA      ALA   3  -6.783  -8.161  -8.161
   81   1HB   ALA   3           HB3      ALA   3  -5.505  -5.750  -5.750
   82   2HB   ALA   3           HB2      ALA   3  -5.393  -7.337  -7.337
   83   3HB   ALA   3           HB1      ALA   3  -4.756  -7.093  -7.093
   84    H    ILE   4            HN      ILE   4  -8.242  -9.130  -9.130
   85    HA   ILE   4            HA      ILE   4 -10.355  -7.850  -7.850
   86    HB   ILE   4            HB      ILE   4 -10.617 -10.032 -10.032
   87   1HG1  ILE   4          HG12      ILE   4 -10.707 -10.914 -10.914
   88   2HG1  ILE   4          HG11      ILE   4 -11.401  -9.308  -9.308
   89   1HG2  ILE   4          HG23      ILE   4  -8.070 -10.502 -10.502
   90   2HG2  ILE   4          HG22      ILE   4  -9.220 -11.723 -11.723
   91   3HG2  ILE   4          HG21      ILE   4  -8.934 -11.486 -11.486
   92   1HD1  ILE   4          HD11      ILE   4 -12.082 -11.656 -11.656
   93   2HD1  ILE   4          HD13      ILE   4 -12.996 -11.229 -11.229
   94   3HD1  ILE   4          HD12      ILE   4 -12.901 -10.099 -10.099
   95    H    ALA   5            HN      ALA   5 -10.302  -6.857  -6.857
   96    HA   ALA   5            HA      ALA   5  -8.129  -7.179  -7.179
   97   1HB   ALA   5           HB3      ALA   5 -10.838  -5.795  -5.795
   98   2HB   ALA   5           HB2      ALA   5  -9.591  -5.743  -5.743
   99   3HB   ALA   5           HB1      ALA   5  -9.287  -5.017  -5.017
  100    H    LYS   6            HN      LYS   6  -8.113  -9.212  -9.212
  101    HA   LYS   6            HA      LYS   6 -10.350 -10.916 -10.916
  102   1HB   LYS   6           HB2      LYS   6  -7.758 -10.881 -10.881
  103   2HB   LYS   6           HB1      LYS   6  -8.888 -12.235 -12.235
  104   1HG   LYS   6           HG2      LYS   6  -8.402 -12.647 -12.647
  105   2HG   LYS   6           HG1      LYS   6  -7.804 -11.012 -11.012
  106   1HD   LYS   6           HD2      LYS   6  -5.921 -12.535 -12.535
  107   2HD   LYS   6           HD1      LYS   6  -5.859 -11.523 -11.523
  108   1HE   LYS   6           HE2      LYS   6  -7.003 -13.358 -13.358
  109   2HE   LYS   6           HE1      LYS   6  -6.899 -14.368 -14.368
  110   1HZ   LYS   6           HZ3      LYS   6  -4.413 -13.786 -13.786
  111   2HZ   LYS   6           HZ2      LYS   6  -4.723 -13.362 -13.362
  112   3HZ   LYS   6           HZ1      LYS   6  -5.016 -14.947 -14.947
  113    H    TYR   7            HN      TYR   7  -9.131  -8.334  -8.334
  114    HA   TYR   7            HA      TYR   7 -11.476  -8.664  -8.664
  115   1HB   TYR   7           HB2      TYR   7  -8.779  -8.440  -8.440
  116   2HB   TYR   7           HB1      TYR   7 -10.304  -8.902  -8.902
  117    HD1  TYR   7           HD1      TYR   7 -11.234 -11.166 -11.166
  118    HD2  TYR   7           HD2      TYR   7  -7.444  -9.995  -9.995
  119    HE1  TYR   7           HE1      TYR   7 -10.683 -13.550 -13.550
  120    HE2  TYR   7           HE2      TYR   7  -6.876 -12.356 -12.356
  121    HH   TYR   7            HH      TYR   7  -7.981 -14.777 -14.777
  122    H    ASP   8            HN      ASP   8 -11.040  -6.939  -6.939
  123    HA   ASP   8            HA      ASP   8 -10.961  -4.407  -4.407
  124   1HB   ASP   8           HB2      ASP   8 -11.982  -3.479  -3.479
  125   2HB   ASP   8           HB1      ASP   8 -12.742  -5.038  -5.038
  126    H    PHE   9            HN      PHE   9  -9.858  -2.513  -2.513
  127    HA   PHE   9            HA      PHE   9  -7.680  -2.747  -2.747
  128   1HB   PHE   9           HB2      PHE   9  -7.070  -3.982  -3.982
  129   2HB   PHE   9           HB1      PHE   9  -6.297  -2.403  -2.403
  130    HD1  PHE   9           HD1      PHE   9  -6.910  -4.688  -4.688
  131    HD2  PHE   9           HD2      PHE   9  -4.027  -2.663  -2.663
  132    HE1  PHE   9           HE1      PHE   9  -5.085  -5.484  -5.484
  133    HE2  PHE   9           HE2      PHE   9  -2.204  -3.450  -3.450
  134    HZ   PHE   9            HZ      PHE   9  -2.733  -4.862  -4.862
  135    H    LYS  10            HN      LYS  10  -6.086  -0.777  -0.777
  136    HA   LYS  10            HA      LYS  10  -7.420   1.450   1.450
  137   1HB   LYS  10           HB2      LYS  10  -7.647   1.115   1.115
  138   2HB   LYS  10           HB1      LYS  10  -6.488   2.420   2.420
  139   1HG   LYS  10           HG2      LYS  10  -8.040   3.749   3.749
  140   2HG   LYS  10           HG1      LYS  10  -9.086   2.374   2.374
  141   1HD   LYS  10           HD2      LYS  10 -10.148   3.663   3.663
  142   2HD   LYS  10           HD1      LYS  10  -9.539   2.175   2.175
  143   1HE   LYS  10           HE2      LYS  10  -7.730   3.271   3.271
  144   2HE   LYS  10           HE1      LYS  10  -7.850   4.668   4.668
  145   1HZ   LYS  10           HZ3      LYS  10  -9.990   5.197   5.197
  146   2HZ   LYS  10           HZ2      LYS  10  -9.808   3.886   3.886
  147   3HZ   LYS  10           HZ1      LYS  10  -8.731   5.199   5.199
  148    H    ALA  11            HN      ALA  11  -6.037   3.407   3.407
  149    HA   ALA  11            HA      ALA  11  -3.429   2.643   2.643
  150   1HB   ALA  11           HB3      ALA  11  -5.010   4.759   4.759
  151   2HB   ALA  11           HB2      ALA  11  -3.921   5.503   5.503
  152   3HB   ALA  11           HB1      ALA  11  -3.268   4.765   4.765
  153    H    THR  12            HN      THR  12  -1.494   2.722   2.722
  154    HA   THR  12            HA      THR  12  -1.645   3.721   3.721
  155    HB   THR  12            HB      THR  12   0.353   2.046   2.046
  156    HG1  THR  12           HG1      THR  12   0.746   1.012   1.012
  157   1HG2  THR  12          HG22      THR  12  -2.500   1.112   1.112
  158   2HG2  THR  12          HG21      THR  12  -1.255   0.227   0.227
  159   3HG2  THR  12          HG23      THR  12  -1.829   1.782   1.782
  160    H    ALA  13            HN      ALA  13  -1.012   5.406   5.406
  161    HA   ALA  13            HA      ALA  13   1.369   6.682   6.682
  162   1HB   ALA  13           HB1      ALA  13   1.701   4.797   4.797
  163   2HB   ALA  13           HB3      ALA  13   2.731   6.219   6.219
  164   3HB   ALA  13           HB2      ALA  13   2.720   4.956   4.956
  165    H    ASP  14            HN      ASP  14   2.146   8.254   8.254
  166    HA   ASP  14            HA      ASP  14  -0.161   9.708   9.708
  167   1HB   ASP  14           HB2      ASP  14   2.115  10.479  10.479
  168   2HB   ASP  14           HB1      ASP  14   2.664  10.336  10.336
  169    H    ASP  15            HN      ASP  15   1.570   7.161   7.161
  170    HA   ASP  15            HA      ASP  15   0.661   7.895   7.895
  171   1HB   ASP  15           HB2      ASP  15   3.154   8.213   8.213
  172   2HB   ASP  15           HB1      ASP  15   3.248   6.465   6.465
  173    H    GLU  16            HN      GLU  16  -0.420   6.125   6.125
  174    HA   GLU  16            HA      GLU  16  -0.184   3.481   3.481
  175   1HB   GLU  16           HB2      GLU  16   0.203   3.883   3.883
  176   2HB   GLU  16           HB1      GLU  16  -1.549   3.958   3.958
  177   1HG   GLU  16           HG2      GLU  16  -1.737   1.727   1.727
  178   2HG   GLU  16           HG1      GLU  16  -0.720   1.700   1.700
  179    H    LEU  17            HN      LEU  17  -2.422   2.254   2.254
  180    HA   LEU  17            HA      LEU  17  -4.581   4.146   4.146
  181   1HB   LEU  17           HB2      LEU  17  -3.614   3.226   3.226
  182   2HB   LEU  17           HB1      LEU  17  -3.770   1.598   1.598
  183    HG   LEU  17            HG      LEU  17  -6.251   1.922   1.922
  184   1HD1  LEU  17          HD11      LEU  17  -5.409   4.615   4.615
  185   2HD1  LEU  17          HD13      LEU  17  -6.770   3.944   3.944
  186   3HD1  LEU  17          HD12      LEU  17  -6.862   4.114   4.114
  187   1HD2  LEU  17          HD21      LEU  17  -5.009   0.860   0.860
  188   2HD2  LEU  17          HD23      LEU  17  -6.571   1.567   1.567
  189   3HD2  LEU  17          HD22      LEU  17  -5.083   2.429   2.429
  190    H    SER  18            HN      SER  18  -6.641   3.633   3.633
  191    HA   SER  18            HA      SER  18  -6.895   1.463   1.463
  192   1HB   SER  18           HB2      SER  18  -8.938   3.476   3.476
  193   2HB   SER  18           HB1      SER  18  -8.536   2.708   2.708
  194    HG   SER  18            HG      SER  18  -7.701   5.039   5.039
  195    H    PHE  19            HN      PHE  19  -9.003   0.273   0.273
  196    HA   PHE  19            HA      PHE  19 -10.779   0.248   0.248
  197   1HB   PHE  19           HB2      PHE  19 -10.039  -1.838  -1.838
  198   2HB   PHE  19           HB1      PHE  19  -8.833  -0.562  -0.562
  199    HD1  PHE  19           HD1      PHE  19  -9.741  -3.624  -3.624
  200    HD2  PHE  19           HD2      PHE  19  -6.644  -0.811  -0.811
  201    HE1  PHE  19           HE1      PHE  19  -8.058  -5.106  -5.106
  202    HE2  PHE  19           HE2      PHE  19  -4.963  -2.289  -2.289
  203    HZ   PHE  19            HZ      PHE  19  -5.670  -4.437  -4.437
  204    H    LYS  20            HN      LYS  20 -12.162  -1.823  -1.823
  205    HA   LYS  20            HA      LYS  20 -12.186  -2.912  -2.912
  206   1HB   LYS  20           HB2      LYS  20 -14.538  -2.402  -2.402
  207   2HB   LYS  20           HB1      LYS  20 -14.615  -2.993  -2.993
  208   1HG   LYS  20           HG2      LYS  20 -13.325  -0.381  -0.381
  209   2HG   LYS  20           HG1      LYS  20 -15.016  -0.510  -0.510
  210   1HD   LYS  20           HD2      LYS  20 -13.448  -1.925  -1.925
  211   2HD   LYS  20           HD1      LYS  20 -12.718  -0.338  -0.338
  212   1HE   LYS  20           HE2      LYS  20 -14.378  -0.112  -0.112
  213   2HE   LYS  20           HE1      LYS  20 -15.014   0.673   0.673
  214   1HZ   LYS  20           HZ1      LYS  20 -16.245  -1.353  -1.353
  215   2HZ   LYS  20           HZ3      LYS  20 -15.658  -2.079  -2.079
  216   3HZ   LYS  20           HZ2      LYS  20 -16.684  -0.728  -0.728
  217    H    ARG  21            HN      ARG  21 -13.706  -4.956  -4.956
  218    HA   ARG  21            HA      ARG  21 -12.416  -6.957  -6.957
  219   1HB   ARG  21           HB2      ARG  21 -13.415  -7.254  -7.254
  220   2HB   ARG  21           HB1      ARG  21 -15.008  -7.201  -7.201
  221   1HG   ARG  21           HG2      ARG  21 -14.756  -9.270  -9.270
  222   2HG   ARG  21           HG1      ARG  21 -13.013  -9.074  -9.074
  223   1HD   ARG  21           HD2      ARG  21 -12.720 -10.347 -10.347
  224   2HD   ARG  21           HD1      ARG  21 -13.438  -9.048  -9.048
  225    HE   ARG  21            HE      ARG  21 -15.475 -10.283 -10.283
  226   1HH1  ARG  21          HH11      ARG  21 -16.065 -11.141 -11.141
  227   2HH1  ARG  21          HH12      ARG  21 -15.674 -12.828 -12.828
  228   1HH2  ARG  21          HH21      ARG  21 -13.713 -12.686 -12.686
  229   2HH2  ARG  21          HH22      ARG  21 -14.342 -13.702 -13.702
  230    H    GLY  22            HN      GLY  22 -12.814  -7.067  -7.067
  231   1HA   GLY  22           HA2      GLY  22 -14.379  -7.844  -7.844
  232   2HA   GLY  22           HA1      GLY  22 -15.666  -6.983  -6.983
  233    H    ASP  23            HN      ASP  23 -12.908  -5.043  -5.043
  234    HA   ASP  23            HA      ASP  23 -13.958  -3.397  -3.397
  235   1HB   ASP  23           HB2      ASP  23 -12.521  -3.023  -3.023
  236   2HB   ASP  23           HB1      ASP  23 -11.819  -2.115  -2.115
  237    H    ILE  24            HN      ILE  24 -13.144  -4.545  -4.545
  238    HA   ILE  24            HA      ILE  24 -10.378  -5.355  -5.355
  239    HB   ILE  24            HB      ILE  24 -12.070  -4.791  -4.791
  240   1HG1  ILE  24          HG12      ILE  24 -12.323  -7.021  -7.021
  241   2HG1  ILE  24          HG11      ILE  24 -13.608  -6.044  -6.044
  242   1HG2  ILE  24          HG22      ILE  24  -9.534  -5.585  -5.585
  243   2HG2  ILE  24          HG21      ILE  24 -10.273  -7.159  -7.159
  244   3HG2  ILE  24          HG23      ILE  24 -10.591  -6.269  -6.269
  245   1HD1  ILE  24          HD13      ILE  24 -12.628  -7.204  -7.204
  246   2HD1  ILE  24          HD12      ILE  24 -12.269  -8.464  -8.464
  247   3HD1  ILE  24          HD11      ILE  24 -13.930  -7.909  -7.909
  248    H    LEU  25            HN      LEU  25  -8.689  -4.144  -4.144
  249    HA   LEU  25            HA      LEU  25  -9.008  -1.271  -1.271
  250   1HB   LEU  25           HB2      LEU  25  -6.543  -2.873  -2.873
  251   2HB   LEU  25           HB1      LEU  25  -6.692  -1.113  -1.113
  252    HG   LEU  25            HG      LEU  25  -8.830  -1.786  -1.786
  253   1HD1  LEU  25          HD12      LEU  25  -6.855  -4.036  -4.036
  254   2HD1  LEU  25          HD11      LEU  25  -7.719  -3.536  -3.536
  255   3HD1  LEU  25          HD13      LEU  25  -8.618  -4.098  -4.098
  256   1HD2  LEU  25          HD21      LEU  25  -5.959  -1.214  -1.214
  257   2HD2  LEU  25          HD23      LEU  25  -7.380  -0.197  -0.197
  258   3HD2  LEU  25          HD22      LEU  25  -7.086  -1.564  -1.564
  259    H    LYS  26            HN      LYS  26  -7.365  -0.195  -0.195
  260    HA   LYS  26            HA      LYS  26  -7.070  -1.896  -1.896
  261   1HB   LYS  26           HB2      LYS  26  -7.329   1.081   1.081
  262   2HB   LYS  26           HB1      LYS  26  -6.705   0.437   0.437
  263   1HG   LYS  26           HG2      LYS  26  -8.847  -1.094  -1.094
  264   2HG   LYS  26           HG1      LYS  26  -9.450   0.167   0.167
  265   1HD   LYS  26           HD2      LYS  26 -10.153   0.961   0.961
  266   2HD   LYS  26           HD1      LYS  26  -8.610   1.793   1.793
  267   1HE   LYS  26           HE2      LYS  26  -8.269   0.925   0.925
  268   2HE   LYS  26           HE1      LYS  26  -7.710  -0.453  -0.453
  269   1HZ   LYS  26           HZ2      LYS  26 -10.022  -1.314  -1.314
  270   2HZ   LYS  26           HZ1      LYS  26 -10.396  -0.070  -0.070
  271   3HZ   LYS  26           HZ3      LYS  26  -9.245  -1.245  -1.245
  272    H    VAL  27            HN      VAL  27  -5.033  -2.861  -2.861
  273    HA   VAL  27            HA      VAL  27  -2.792  -1.607  -1.607
  274    HB   VAL  27            HB      VAL  27  -2.727  -3.751  -3.751
  275   1HG1  VAL  27          HG13      VAL  27  -0.617  -2.367  -2.367
  276   2HG1  VAL  27          HG12      VAL  27  -0.769  -3.651  -3.651
  277   3HG1  VAL  27          HG11      VAL  27  -0.517  -4.058  -4.058
  278   1HG2  VAL  27          HG21      VAL  27  -4.105  -3.923  -3.923
  279   2HG2  VAL  27          HG23      VAL  27  -3.307  -5.304  -5.304
  280   3HG2  VAL  27          HG22      VAL  27  -2.501  -4.421  -4.421
  281    H    LEU  28            HN      LEU  28  -2.051   0.303   0.303
  282    HA   LEU  28            HA      LEU  28  -1.931   1.006   1.006
  283   1HB   LEU  28           HB2      LEU  28  -0.615   2.705   2.705
  284   2HB   LEU  28           HB1      LEU  28  -1.484   3.199   3.199
  285    HG   LEU  28            HG      LEU  28  -3.317   1.863   1.863
  286   1HD1  LEU  28          HD13      LEU  28  -1.616   4.063   4.063
  287   2HD1  LEU  28          HD12      LEU  28  -3.201   3.635   3.635
  288   3HD1  LEU  28          HD11      LEU  28  -1.896   2.451   2.451
  289   1HD2  LEU  28          HD21      LEU  28  -3.077   4.339   4.339
  290   2HD2  LEU  28          HD23      LEU  28  -4.506   3.365   3.365
  291   3HD2  LEU  28          HD22      LEU  28  -3.958   4.571   4.571
  292    H    ASN  29            HN      ASN  29   0.141   0.049   0.049
  293    HA   ASN  29            HA      ASN  29   2.277  -0.621  -0.621
  294   1HB   ASN  29           HB2      ASN  29   2.424   1.922   1.922
  295   2HB   ASN  29           HB1      ASN  29   3.127   1.237   1.237
  296   1HD2  ASN  29          HD22      ASN  29   6.157   0.271   0.271
  297   2HD2  ASN  29          HD21      ASN  29   5.203   0.168   0.168
  298    H    GLU  30            HN      GLU  30   4.120  -1.675  -1.675
  299    HA   GLU  30            HA      GLU  30   3.448  -2.665  -2.665
  300   1HB   GLU  30           HB2      GLU  30   3.797  -4.291  -4.291
  301   2HB   GLU  30           HB1      GLU  30   4.349  -4.960  -4.960
  302   1HG   GLU  30           HG2      GLU  30   2.055  -4.380  -4.380
  303   2HG   GLU  30           HG1      GLU  30   1.553  -4.067  -4.067
  304    H    GLU  31            HN      GLU  31   5.231  -0.850  -0.850
  305    HA   GLU  31            HA      GLU  31   7.899  -1.368  -1.368
  306   1HB   GLU  31           HB2      GLU  31   6.618   0.349   0.349
  307   2HB   GLU  31           HB1      GLU  31   8.342   0.030   0.030
  308   1HG   GLU  31           HG2      GLU  31   8.889   1.031   1.031
  309   2HG   GLU  31           HG1      GLU  31   7.242   0.879   0.879
  310    H    CYS  32            HN      CYS  32   9.734  -1.804  -1.804
  311    HA   CYS  32            HA      CYS  32   9.462  -4.469  -4.469
  312   1HB   CYS  32           HB2      CYS  32  11.398  -2.317  -2.317
  313   2HB   CYS  32           HB1      CYS  32  11.507  -4.010  -4.010
  314    HG   CYS  32            HG      CYS  32  12.933  -3.865  -3.865
  315    H    ASP  33            HN      ASP  33   9.197  -5.307  -5.307
  316    HA   ASP  33            HA      ASP  33   8.795  -3.913  -3.913
  317   1HB   ASP  33           HB2      ASP  33   6.743  -3.286  -3.286
  318   2HB   ASP  33           HB1      ASP  33   6.212  -4.902  -4.902
  319    H    GLN  34            HN      GLN  34   7.609  -5.398  -5.398
  320    HA   GLN  34            HA      GLN  34   8.724  -8.022  -8.022
  321   1HB   GLN  34           HB2      GLN  34   8.400  -6.411  -6.411
  322   2HB   GLN  34           HB1      GLN  34   7.389  -7.831  -7.831
  323   1HG   GLN  34           HG2      GLN  34   9.181  -9.262  -9.262
  324   2HG   GLN  34           HG1      GLN  34  10.118  -8.332  -8.332
  325   1HE2  GLN  34          HE22      GLN  34  10.067  -6.721  -6.721
  326   2HE2  GLN  34          HE21      GLN  34   8.612  -7.252  -7.252
  327    H    ASN  35            HN      ASN  35   5.665  -6.562  -6.562
  328    HA   ASN  35            HA      ASN  35   4.231  -8.784  -8.784
  329   1HB   ASN  35           HB2      ASN  35   4.285  -8.475  -8.475
  330   2HB   ASN  35           HB1      ASN  35   2.771  -8.915  -8.915
  331   1HD2  ASN  35          HD22      ASN  35   4.168 -12.031 -12.031
  332   2HD2  ASN  35          HD21      ASN  35   3.232 -10.724 -10.724
  333    H    TRP  36            HN      TRP  36   4.439  -5.757  -5.757
  334    HA   TRP  36            HA      TRP  36   1.505  -5.230  -5.230
  335   1HB   TRP  36           HB2      TRP  36   3.522  -3.108  -3.108
  336   2HB   TRP  36           HB1      TRP  36   1.761  -2.993  -2.993
  337    HD1  TRP  36           HD1      TRP  36   4.306  -5.604  -5.604
  338    HE1  TRP  36           HE1      TRP  36   3.775  -5.954  -5.954
  339    HE3  TRP  36           HE3      TRP  36   0.339  -2.335  -2.335
  340    HZ2  TRP  36           HZ2      TRP  36   2.006  -5.006  -5.006
  341    HZ3  TRP  36           HZ3      TRP  36  -0.671  -2.068  -2.068
  342    HH2  TRP  36           HH2      TRP  36   0.140  -3.399  -3.399
  343    H    TYR  37            HN      TYR  37   0.712  -4.160  -4.160
  344    HA   TYR  37            HA      TYR  37   2.595  -3.495  -3.495
  345   1HB   TYR  37           HB2      TYR  37  -0.429  -3.837  -3.837
  346   2HB   TYR  37           HB1      TYR  37   0.616  -3.684  -3.684
  347    HD1  TYR  37           HD1      TYR  37   2.858  -5.496  -5.496
  348    HD2  TYR  37           HD2      TYR  37  -1.382  -5.912  -5.912
  349    HE1  TYR  37           HE1      TYR  37   3.086  -7.963  -7.963
  350    HE2  TYR  37           HE2      TYR  37  -1.180  -8.364  -8.364
  351    HH   TYR  37            HH      TYR  37   0.572 -10.010 -10.010
  352    H    LYS  38            HN      LYS  38   0.687  -1.826  -1.826
  353    HA   LYS  38            HA      LYS  38   0.106   0.504   0.504
  354   1HB   LYS  38           HB2      LYS  38   2.286   0.964   0.964
  355   2HB   LYS  38           HB1      LYS  38   1.540   0.620   0.620
  356   1HG   LYS  38           HG2      LYS  38  -0.208   2.455   2.455
  357   2HG   LYS  38           HG1      LYS  38   1.356   3.034   3.034
  358   1HD   LYS  38           HD2      LYS  38   1.623   2.280   2.280
  359   2HD   LYS  38           HD1      LYS  38   0.209   3.315   3.315
  360   1HE   LYS  38           HE2      LYS  38   1.721   4.858   4.858
  361   2HE   LYS  38           HE1      LYS  38   3.064   3.931   3.931
  362   1HZ   LYS  38           HZ1      LYS  38   0.979   5.203   5.203
  363   2HZ   LYS  38           HZ3      LYS  38   2.427   5.982   5.982
  364   3HZ   LYS  38           HZ2      LYS  38   2.467   4.553   4.553
  365    H    ALA  39            HN      ALA  39  -1.993   1.264   1.264
  366    HA   ALA  39            HA      ALA  39  -3.113   0.733   0.733
  367   1HB   ALA  39           HB1      ALA  39  -3.315  -1.442  -1.442
  368   2HB   ALA  39           HB3      ALA  39  -4.232  -0.663  -0.663
  369   3HB   ALA  39           HB2      ALA  39  -4.893  -0.729  -0.729
  370    H    GLU  40            HN      GLU  40  -5.665   1.014   1.014
  371    HA   GLU  40            HA      GLU  40  -6.112   3.325   3.325
  372   1HB   GLU  40           HB2      GLU  40  -5.796   4.852   4.852
  373   2HB   GLU  40           HB1      GLU  40  -5.107   3.572   3.572
  374   1HG   GLU  40           HG2      GLU  40  -7.306   3.182   3.182
  375   2HG   GLU  40           HG1      GLU  40  -8.051   4.363   4.363
  376    H    LEU  41            HN      LEU  41  -8.046   3.496   3.496
  377    HA   LEU  41            HA      LEU  41 -10.169   1.778   1.778
  378   1HB   LEU  41           HB2      LEU  41  -9.622   2.805   2.805
  379   2HB   LEU  41           HB1      LEU  41 -11.315   2.580   2.580
  380    HG   LEU  41            HG      LEU  41  -9.305   0.461   0.461
  381   1HD1  LEU  41          HD12      LEU  41  -9.471   1.333   1.333
  382   2HD1  LEU  41          HD11      LEU  41 -10.912   0.314   0.314
  383   3HD1  LEU  41          HD13      LEU  41  -9.334  -0.384  -0.384
  384   1HD2  LEU  41          HD23      LEU  41 -11.696   0.577   0.577
  385   2HD2  LEU  41          HD22      LEU  41 -11.240  -0.928  -0.928
  386   3HD2  LEU  41          HD21      LEU  41 -12.221   0.274   0.274
  387    H    ASN  42            HN      ASN  42 -10.959   2.816   2.816
  388    HA   ASN  42            HA      ASN  42 -12.088   4.472   4.472
  389   1HB   ASN  42           HB2      ASN  42 -13.419   4.009   4.009
  390   2HB   ASN  42           HB1      ASN  42 -14.011   5.352   5.352
  391   1HD2  ASN  42          HD22      ASN  42 -15.507   1.907   1.907
  392   2HD2  ASN  42          HD21      ASN  42 -15.142   2.519   2.519
  393    H    GLY  43            HN      GLY  43  -9.821   5.666   5.666
  394   1HA   GLY  43           HA2      GLY  43  -9.753   8.270   8.270
  395   2HA   GLY  43           HA1      GLY  43 -10.908   8.333   8.333
  396    H    LYS  44            HN      LYS  44  -9.648   6.343   6.343
  397    HA   LYS  44            HA      LYS  44  -7.456   7.935   7.935
  398   1HB   LYS  44           HB2      LYS  44  -9.177   5.738   5.738
  399   2HB   LYS  44           HB1      LYS  44  -7.555   5.962   5.962
  400   1HG   LYS  44           HG2      LYS  44  -7.984   8.132   8.132
  401   2HG   LYS  44           HG1      LYS  44  -9.380   8.316   8.316
  402   1HD   LYS  44           HD2      LYS  44 -10.143   8.007   8.007
  403   2HD   LYS  44           HD1      LYS  44 -10.597   6.605   6.605
  404   1HE   LYS  44           HE2      LYS  44  -8.544   5.438   5.438
  405   2HE   LYS  44           HE1      LYS  44  -8.205   6.814   6.814
  406   1HZ   LYS  44           HZ1      LYS  44 -10.613   6.394   6.394
  407   2HZ   LYS  44           HZ3      LYS  44 -10.381   4.841   4.841
  408   3HZ   LYS  44           HZ2      LYS  44  -9.354   5.417   5.417
  409    H    ASP  45            HN      ASP  45  -5.598   6.577   6.577
  410    HA   ASP  45            HA      ASP  45  -5.000   4.216   4.216
  411   1HB   ASP  45           HB2      ASP  45  -3.726   4.960   4.960
  412   2HB   ASP  45           HB1      ASP  45  -4.915   6.242   6.242
  413    H    GLY  46            HN      GLY  46  -2.451   3.821   3.821
  414   1HA   GLY  46           HA2      GLY  46  -0.456   4.643   4.643
  415   2HA   GLY  46           HA1      GLY  46  -1.555   4.590   4.590
  416    H    PHE  47            HN      PHE  47   0.609   3.147   3.147
  417    HA   PHE  47            HA      PHE  47   0.727   0.545   0.545
  418   1HB   PHE  47           HB2      PHE  47   1.636   1.509   1.509
  419   2HB   PHE  47           HB1      PHE  47   2.098  -0.033  -0.033
  420    HD1  PHE  47           HD1      PHE  47   3.032   0.167   0.167
  421    HD2  PHE  47           HD2      PHE  47   3.056   3.326   3.326
  422    HE1  PHE  47           HE1      PHE  47   4.854   1.301   1.301
  423    HE2  PHE  47           HE2      PHE  47   4.878   4.459   4.459
  424    HZ   PHE  47            HZ      PHE  47   5.777   3.444   3.444
  425    H    ILE  48            HN      ILE  48  -0.001  -1.534  -1.534
  426    HA   ILE  48            HA      ILE  48  -1.947  -1.458  -1.458
  427    HB   ILE  48            HB      ILE  48  -3.496  -2.927  -2.927
  428   1HG1  ILE  48          HG12      ILE  48  -1.827  -1.708  -1.708
  429   2HG1  ILE  48          HG11      ILE  48  -1.837  -3.414  -3.414
  430   1HG2  ILE  48          HG23      ILE  48  -3.602  -0.335  -0.335
  431   2HG2  ILE  48          HG22      ILE  48  -3.295  -0.199  -0.199
  432   3HG2  ILE  48          HG21      ILE  48  -4.720  -1.064  -1.064
  433   1HD1  ILE  48          HD12      ILE  48  -4.318  -3.439  -3.439
  434   2HD1  ILE  48          HD11      ILE  48  -4.163  -1.801  -1.801
  435   3HD1  ILE  48          HD13      ILE  48  -3.333  -3.133  -3.133
  436    HA   PRO  49            HA      PRO  49   0.303  -5.216  -5.216
  437   1HB   PRO  49           HB2      PRO  49  -1.391  -6.355  -6.355
  438   2HB   PRO  49           HB1      PRO  49  -0.203  -5.106  -5.106
  439   1HG   PRO  49           HG2      PRO  49  -3.174  -4.846  -4.846
  440   2HG   PRO  49           HG1      PRO  49  -2.082  -3.891  -3.891
  441   1HD   PRO  49           HD2      PRO  49  -3.073  -3.018  -3.018
  442   2HD   PRO  49           HD1      PRO  49  -1.649  -2.371  -2.371
  443    H    LYS  50            HN      LYS  50   0.170  -6.499  -6.499
  444    HA   LYS  50            HA      LYS  50  -2.005  -7.569  -7.569
  445   1HB   LYS  50           HB2      LYS  50   0.175  -7.671  -7.671
  446   2HB   LYS  50           HB1      LYS  50   0.824  -8.524  -8.524
  447   1HG   LYS  50           HG2      LYS  50  -1.358 -10.040 -10.040
  448   2HG   LYS  50           HG1      LYS  50  -0.142  -9.667  -9.667
  449   1HD   LYS  50           HD2      LYS  50   1.536 -10.356 -10.356
  450   2HD   LYS  50           HD1      LYS  50   0.128 -11.318 -11.318
  451   1HE   LYS  50           HE2      LYS  50   0.637 -11.525 -11.525
  452   2HE   LYS  50           HE1      LYS  50   2.019 -12.051 -12.051
  453   1HZ   LYS  50           HZ1      LYS  50  -0.685 -12.950 -12.950
  454   2HZ   LYS  50           HZ3      LYS  50   0.134 -13.712 -13.712
  455   3HZ   LYS  50           HZ2      LYS  50   0.812 -13.703 -13.703
  456    H    ASN  51            HN      ASN  51  -0.813  -8.587  -8.587
  457    HA   ASN  51            HA      ASN  51  -1.699 -11.208 -11.208
  458   1HB   ASN  51           HB2      ASN  51  -1.103  -9.153  -9.153
  459   2HB   ASN  51           HB1      ASN  51  -2.000 -10.519 -10.519
  460   1HD2  ASN  51          HD22      ASN  51   1.092 -12.171 -12.171
  461   2HD2  ASN  51          HD21      ASN  51  -0.336 -11.611 -11.611
  462    H    TYR  52            HN      TYR  52  -3.354  -8.229  -8.229
  463    HA   TYR  52            HA      TYR  52  -5.953  -9.500  -9.500
  464   1HB   TYR  52           HB2      TYR  52  -4.911  -6.667  -6.667
  465   2HB   TYR  52           HB1      TYR  52  -6.632  -6.980  -6.980
  466    HD1  TYR  52           HD1      TYR  52  -3.593  -8.242  -8.242
  467    HD2  TYR  52           HD2      TYR  52  -7.606  -6.783  -6.783
  468    HE1  TYR  52           HE1      TYR  52  -3.558  -8.355  -8.355
  469    HE2  TYR  52           HE2      TYR  52  -7.565  -6.892  -6.892
  470    HH   TYR  52            HH      TYR  52  -6.376  -8.098  -8.098
  471    H    ILE  53            HN      ILE  53  -4.537  -9.794  -9.794
  472    HA   ILE  53            HA      ILE  53  -6.632  -8.859  -8.859
  473    HB   ILE  53            HB      ILE  53  -4.039  -8.162  -8.162
  474   1HG1  ILE  53          HG12      ILE  53  -5.213  -6.467  -6.467
  475   2HG1  ILE  53          HG11      ILE  53  -3.720  -7.385  -7.385
  476   1HG2  ILE  53          HG22      ILE  53  -6.595  -7.664  -7.664
  477   2HG2  ILE  53          HG21      ILE  53  -6.208  -6.178  -6.178
  478   3HG2  ILE  53          HG23      ILE  53  -5.225  -6.695  -6.695
  479   1HD1  ILE  53          HD11      ILE  53  -3.651  -5.795  -5.795
  480   2HD1  ILE  53          HD13      ILE  53  -4.097  -4.766  -4.766
  481   3HD1  ILE  53          HD12      ILE  53  -2.603  -5.693  -5.693
  482    H    GLU  54            HN      GLU  54  -6.122  -9.427  -9.427
  483    HA   GLU  54            HA      GLU  54  -4.302 -11.567 -11.567
  484   1HB   GLU  54           HB2      GLU  54  -7.109 -12.041 -12.041
  485   2HB   GLU  54           HB1      GLU  54  -6.604 -12.505 -12.505
  486   1HG   GLU  54           HG2      GLU  54  -4.822 -13.907 -13.907
  487   2HG   GLU  54           HG1      GLU  54  -5.273 -13.413 -13.413
  488    H    MET  55            HN      MET  55  -4.007 -11.863 -11.863
  489    HA   MET  55            HA      MET  55  -4.540  -9.317  -9.317
  490   1HB   MET  55           HB2      MET  55  -2.261 -10.680 -10.680
  491   2HB   MET  55           HB1      MET  55  -2.886 -11.468 -11.468
  492   1HG   MET  55           HG2      MET  55  -3.255  -8.589  -8.589
  493   2HG   MET  55           HG1      MET  55  -1.568  -8.965  -8.965
  494   1HE   MET  55           HE1      MET  55  -0.105  -9.875  -9.875
  495   2HE   MET  55           HE3      MET  55  -0.098 -10.751 -10.751
  496   3HE   MET  55           HE2      MET  55  -0.075  -8.990  -8.990
  497    H    LYS  56            HN      LYS  56  -6.429  -9.275  -9.275
  498    HA   LYS  56            HA      LYS  56  -7.187 -11.636 -11.636
  499   1HB   LYS  56           HB2      LYS  56  -8.631  -9.388  -9.388
  500   2HB   LYS  56           HB1      LYS  56  -9.271 -10.080 -10.080
  501   1HG   LYS  56           HG2      LYS  56  -9.469 -12.234 -12.234
  502   2HG   LYS  56           HG1      LYS  56  -8.412 -11.801 -11.801
  503   1HD   LYS  56           HD2      LYS  56 -10.752 -11.848 -11.848
  504   2HD   LYS  56           HD1      LYS  56 -10.120 -10.204 -10.204
  505   1HE   LYS  56           HE2      LYS  56 -12.280 -10.025 -10.025
  506   2HE   LYS  56           HE1      LYS  56 -11.120  -9.868  -9.868
  507   1HZ   LYS  56           HZ2      LYS  56 -11.417 -12.431 -12.431
  508   2HZ   LYS  56           HZ1      LYS  56 -12.880 -12.124 -12.124
  509   3HZ   LYS  56           HZ3      LYS  56 -12.578 -11.412 -11.412
  510    HA   PRO  57            HA      PRO  57  -6.115  -9.683  -9.683
  511   1HB   PRO  57           HB2      PRO  57  -7.360 -11.332 -11.332
  512   2HB   PRO  57           HB1      PRO  57  -5.848 -11.736 -11.736
  513   1HG   PRO  57           HG2      PRO  57  -8.588 -12.712 -12.712
  514   2HG   PRO  57           HG1      PRO  57  -7.046 -13.473 -13.473
  515   1HD   PRO  57           HD2      PRO  57  -8.705 -12.147 -12.147
  516   2HD   PRO  57           HD1      PRO  57  -7.030 -12.676 -12.676
  517    H    HIS  58            HN      HIS  58  -7.535  -9.456  -9.456
  518    HA   HIS  58            HA      HIS  58 -10.131  -8.190  -8.190
  519   1HB   HIS  58           HB2      HIS  58  -9.655  -6.439  -6.439
  520   2HB   HIS  58           HB1      HIS  58  -8.545  -6.371  -6.371
  521    HD1  HIS  58           HD1      HIS  58  -8.558  -6.441  -6.441
  522    HD2  HIS  58           HD2      HIS  58  -6.019  -7.937  -7.937
  523    HE1  HIS  58           HE1      HIS  58  -6.344  -6.918  -6.918
  524    HA   PRO  59            HA      PRO  59 -10.612 -11.277 -11.277
  525   1HB   PRO  59           HB2      PRO  59 -12.858 -12.480 -12.480
  526   2HB   PRO  59           HB1      PRO  59 -11.203 -12.982 -12.982
  527   1HG   PRO  59           HG2      PRO  59 -13.139 -11.434 -11.434
  528   2HG   PRO  59           HG1      PRO  59 -11.814 -12.497 -12.497
  529   1HD   PRO  59           HD2      PRO  59 -11.732  -9.676  -9.676
  530   2HD   PRO  59           HD1      PRO  59 -10.324 -10.752 -10.752
  531    H    GLU  60            HN      GLU  60 -11.699 -10.642 -10.642
  532    HA   GLU  60            HA      GLU  60 -14.454  -9.935  -9.935
  533   1HB   GLU  60           HB2      GLU  60 -13.116  -7.875  -7.875
  534   2HB   GLU  60           HB1      GLU  60 -12.905  -7.453  -7.453
  535   1HG   GLU  60           HG2      GLU  60 -15.616  -8.231  -8.231
  536   2HG   GLU  60           HG1      GLU  60 -15.025  -6.577  -6.577
  537    H    PHE  61            HN      PHE  61 -13.482 -11.626 -11.626
  538    HA   PHE  61            HA      PHE  61 -11.995 -10.696 -10.696
  539   1HB   PHE  61           HB2      PHE  61 -13.913 -13.041 -13.041
  540   2HB   PHE  61           HB1      PHE  61 -12.675 -12.803 -12.803
  541    HD1  PHE  61           HD2      PHE  61 -10.234 -12.270 -12.270
  542    HD2  PHE  61           HD1      PHE  61 -13.376 -14.443 -14.443
  543    HE1  PHE  61           HE2      PHE  61  -8.561 -13.357 -13.357
  544    HE2  PHE  61           HE1      PHE  61 -11.703 -15.530 -15.530
  545    HZ   PHE  61            HZ      PHE  61  -9.296 -14.987 -14.987
  546    H    ILE  62            HN      ILE  62 -13.092 -10.951 -10.951
  547    HA   ILE  62            HA      ILE  62 -15.593  -9.310  -9.310
  548    HB   ILE  62            HB      ILE  62 -14.904  -8.649  -8.649
  549   1HG1  ILE  62          HG12      ILE  62 -12.239  -9.881  -9.881
  550   2HG1  ILE  62          HG11      ILE  62 -13.430 -10.736 -10.736
  551   1HG2  ILE  62          HG21      ILE  62 -14.365  -7.307  -7.307
  552   2HG2  ILE  62          HG23      ILE  62 -12.788  -8.095  -8.095
  553   3HG2  ILE  62          HG22      ILE  62 -13.232  -7.066  -7.066
  554   1HD1  ILE  62          HD11      ILE  62 -12.491  -7.952  -7.952
  555   2HD1  ILE  62          HD13      ILE  62 -11.651  -9.392  -9.392
  556   3HD1  ILE  62          HD12      ILE  62 -13.332  -9.109  -9.109
  557    H    VAL  63            HN      VAL  63 -15.298 -12.340 -12.340
  558    HA   VAL  63            HA      VAL  63 -17.224 -12.872 -12.872
  559    HB   VAL  63            HB      VAL  63 -15.018 -13.449 -13.449
  560   1HG1  VAL  63          HG11      VAL  63 -14.809 -15.323 -15.323
  561   2HG1  VAL  63          HG13      VAL  63 -13.695 -15.286 -15.286
  562   3HG1  VAL  63          HG12      VAL  63 -13.811 -13.898 -13.898
  563   1HG2  VAL  63          HG21      VAL  63 -17.097 -14.840 -14.840
  564   2HG2  VAL  63          HG23      VAL  63 -15.569 -15.680 -15.680
  565   3HG2  VAL  63          HG22      VAL  63 -16.503 -15.988 -15.988
  566    H    THR  64            HN      THR  64 -18.596 -14.675 -14.675
  567    HA   THR  64            HA      THR  64 -18.645 -15.394 -15.394
  568    HB   THR  64            HB      THR  64 -20.715 -16.093 -16.093
  569    HG1  THR  64           HG1      THR  64 -20.581 -13.788 -13.788
  570   1HG2  THR  64          HG21      THR  64 -20.573 -16.009 -16.009
  571   2HG2  THR  64          HG23      THR  64 -22.126 -15.799 -15.799
  572   3HG2  THR  64          HG22      THR  64 -21.200 -17.282 -17.282
  573    H    ASP  65            HN      ASP  65 -19.149 -17.696 -17.696
  574    HA   ASP  65            HA      ASP  65 -18.599 -19.978 -19.978
  575   1HB   ASP  65           HB2      ASP  65 -20.008 -19.574 -19.574
  576   2HB   ASP  65           HB1      ASP  65 -18.455 -19.897 -19.897
  577   1H    SER   1           HT1      SER   1 -11.655 -14.460 -14.460
  578   2H    SER   1           HT3      SER   1 -12.245 -15.901 -15.901
  579   3H    SER   1           HT2      SER   1 -13.298 -14.592 -14.592
  580    HA   SER   1            HA      SER   1 -13.706 -16.156 -16.156
  581   1HB   SER   1           HB2      SER   1 -10.729 -16.260 -16.260
  582   2HB   SER   1           HB1      SER   1 -11.530 -16.462 -16.462
  583    HG   SER   1            HG      SER   1 -12.838 -18.083 -18.083
  584    HA   PRO   2            HA      PRO   2 -13.961 -12.718 -12.718
  585   1HB   PRO   2           HB2      PRO   2 -14.391 -13.937 -13.937
  586   2HB   PRO   2           HB1      PRO   2 -15.624 -13.822 -13.822
  587   1HG   PRO   2           HG2      PRO   2 -14.025 -16.197 -16.197
  588   2HG   PRO   2           HG1      PRO   2 -15.618 -16.138 -16.138
  589   1HD   PRO   2           HD2      PRO   2 -13.158 -16.717 -16.717
  590   2HD   PRO   2           HD1      PRO   2 -14.703 -16.349 -16.349
  591    H    LEU   3            HN      LEU   3 -13.141 -12.268 -12.268
  592    HA   LEU   3            HA      LEU   3 -11.179 -11.381 -11.381
  593   1HB   LEU   3           HB2      LEU   3  -9.680 -13.466 -13.466
  594   2HB   LEU   3           HB1      LEU   3 -11.238 -13.137 -13.137
  595    HG   LEU   3            HG      LEU   3 -12.204 -14.725 -14.725
  596   1HD1  LEU   3          HD12      LEU   3  -9.707 -14.661 -14.661
  597   2HD1  LEU   3          HD11      LEU   3  -9.539 -16.052 -16.052
  598   3HD1  LEU   3          HD13      LEU   3 -10.771 -16.052 -16.052
  599   1HD2  LEU   3          HD21      LEU   3 -10.410 -15.750 -15.750
  600   2HD2  LEU   3          HD23      LEU   3 -12.106 -15.293 -15.293
  601   3HD2  LEU   3          HD22      LEU   3 -11.660 -16.698 -16.698
  602    H    LEU   4            HN      LEU   4 -10.848 -11.167 -11.167
  603    HA   LEU   4            HA      LEU   4  -8.340 -12.283 -12.283
  604   1HB   LEU   4           HB2      LEU   4 -10.328 -11.313 -11.313
  605   2HB   LEU   4           HB1      LEU   4  -9.556  -9.754  -9.754
  606    HG   LEU   4            HG      LEU   4  -7.398 -11.145 -11.145
  607   1HD1  LEU   4          HD13      LEU   4  -8.995 -13.163 -13.163
  608   2HD1  LEU   4          HD12      LEU   4  -9.589 -12.311 -12.311
  609   3HD1  LEU   4          HD11      LEU   4  -7.895 -12.793 -12.793
  610   1HD2  LEU   4          HD22      LEU   4  -8.486  -9.027  -9.027
  611   2HD2  LEU   4          HD21      LEU   4  -7.646 -10.051 -10.051
  612   3HD2  LEU   4          HD23      LEU   4  -9.406 -10.094 -10.094
  613    HA   PRO   5            HA      PRO   5  -5.999  -9.140  -9.140
  614   1HB   PRO   5           HB2      PRO   5  -3.543 -10.355 -10.355
  615   2HB   PRO   5           HB1      PRO   5  -4.732 -10.796 -10.796
  616   1HG   PRO   5           HG2      PRO   5  -3.960 -12.283 -12.283
  617   2HG   PRO   5           HG1      PRO   5  -4.671 -12.895 -12.895
  618   1HD   PRO   5           HD2      PRO   5  -6.052 -12.417 -12.417
  619   2HD   PRO   5           HD1      PRO   5  -6.786 -12.790 -12.790
  620    H    LYS   6            HN      LYS   6  -3.603  -8.141  -8.141
  621    HA   LYS   6            HA      LYS   6  -3.846  -7.574  -7.574
  622   1HB   LYS   6           HB2      LYS   6  -2.754  -5.754  -5.754
  623   2HB   LYS   6           HB1      LYS   6  -2.951  -5.350  -5.350
  624   1HG   LYS   6           HG2      LYS   6  -5.457  -6.121  -6.121
  625   2HG   LYS   6           HG1      LYS   6  -5.030  -5.656  -5.656
  626   1HD   LYS   6           HD2      LYS   6  -4.182  -3.718  -3.718
  627   2HD   LYS   6           HD1      LYS   6  -5.929  -3.913  -3.913
  628   1HE   LYS   6           HE2      LYS   6  -5.699  -3.580  -3.580
  629   2HE   LYS   6           HE1      LYS   6  -4.001  -3.187  -3.187
  630   1HZ   LYS   6           HZ3      LYS   6  -6.059  -1.786  -1.786
  631   2HZ   LYS   6           HZ2      LYS   6  -5.781  -1.314  -1.314
  632   3HZ   LYS   6           HZ1      LYS   6  -4.519  -1.255  -1.255
  633    H    LEU   7            HN      LEU   7  -2.207  -8.401  -8.401
  634    HA   LEU   7            HA      LEU   7  -0.091  -9.275  -9.275
  635   1HB   LEU   7           HB2      LEU   7   0.457  -6.820  -6.820
  636   2HB   LEU   7           HB1      LEU   7   1.801  -7.821  -7.821
  637    HG   LEU   7            HG      LEU   7   1.285  -5.989  -5.989
  638   1HD1  LEU   7          HD12      LEU   7   1.969  -8.503  -8.503
  639   2HD1  LEU   7          HD11      LEU   7   0.406  -8.472  -8.472
  640   3HD1  LEU   7          HD13      LEU   7   1.660  -7.313  -7.313
  641   1HD2  LEU   7          HD22      LEU   7  -1.306  -6.297  -6.297
  642   2HD2  LEU   7          HD21      LEU   7  -0.799  -5.689  -5.689
  643   3HD2  LEU   7          HD23      LEU   7  -1.252  -7.388  -7.388
  644    HA   PRO   8            HA      PRO   8   0.119 -11.407 -11.407
  645   1HB   PRO   8           HB2      PRO   8  -1.050 -13.782 -13.782
  646   2HB   PRO   8           HB1      PRO   8  -1.951 -12.392 -12.392
  647   1HG   PRO   8           HG2      PRO   8  -1.804 -13.416 -13.416
  648   2HG   PRO   8           HG1      PRO   8  -3.091 -12.487 -12.487
  649   1HD   PRO   8           HD2      PRO   8  -1.136 -11.452 -11.452
  650   2HD   PRO   8           HD1      PRO   8  -2.235 -10.508 -10.508
  651    HA   PRO   9            HA      PRO   9   3.655 -13.604 -13.604
  652   1HB   PRO   9           HB2      PRO   9   5.355 -13.320 -13.320
  653   2HB   PRO   9           HB1      PRO   9   5.119 -12.056 -12.056
  654   1HG   PRO   9           HG2      PRO   9   4.137 -12.146 -12.146
  655   2HG   PRO   9           HG1      PRO   9   4.415 -10.741 -10.741
  656   1HD   PRO   9           HD2      PRO   9   1.895 -11.954 -11.954
  657   2HD   PRO   9           HD1      PRO   9   2.210 -10.682 -10.682
  658    H    LYS  10            HN      LYS  10   3.747 -15.873 -15.873
  659    HA   LYS  10            HA      LYS  10   3.675 -17.168 -17.168
  660   1HB   LYS  10           HB2      LYS  10   1.283 -16.862 -16.862
  661   2HB   LYS  10           HB1      LYS  10   1.803 -18.321 -18.321
  662   1HG   LYS  10           HG2      LYS  10   2.239 -19.422 -19.422
  663   2HG   LYS  10           HG1      LYS  10   1.694 -17.968 -17.968
  664   1HD   LYS  10           HD2      LYS  10  -0.535 -18.192 -18.192
  665   2HD   LYS  10           HD1      LYS  10  -0.020 -19.530 -19.530
  666   1HE   LYS  10           HE2      LYS  10  -0.804 -20.826 -20.826
  667   2HE   LYS  10           HE1      LYS  10   0.742 -20.444 -20.444
  668   1HZ   LYS  10           HZ1      LYS  10  -0.404 -18.434 -18.434
  669   2HZ   LYS  10           HZ3      LYS  10  -1.870 -19.107 -19.107
  670   3HZ   LYS  10           HZ2      LYS  10  -0.923 -19.928 -19.928
  671    H    THR  11            HN      THR  11   5.677 -18.154 -18.154
  672    HA   THR  11            HA      THR  11   5.852 -20.553 -20.553
  673    HB   THR  11            HB      THR  11   7.823 -19.292 -19.292
  674    HG1  THR  11           HG1      THR  11   7.142 -17.256 -17.256
  675   1HG2  THR  11          HG23      THR  11   5.182 -20.499 -20.499
  676   2HG2  THR  11          HG22      THR  11   5.641 -19.346 -19.346
  677   3HG2  THR  11          HG21      THR  11   6.684 -20.722 -20.722
  678    H    TYR  12            HN      TYR  12   6.862 -21.315 -21.315
  679    HA   TYR  12            HA      TYR  12   9.148 -19.975 -19.975
  680   1HB   TYR  12           HB2      TYR  12   8.108 -22.819 -22.819
  681   2HB   TYR  12           HB1      TYR  12   9.368 -22.108 -22.108
  682    HD1  TYR  12           HD2      TYR  12   8.698 -19.657 -19.657
  683    HD2  TYR  12           HD1      TYR  12   5.952 -22.781 -22.781
  684    HE1  TYR  12           HE2      TYR  12   6.975 -18.647 -18.647
  685    HE2  TYR  12           HE1      TYR  12   4.228 -21.772 -21.772
  686    HH   TYR  12            HH      TYR  12   4.966 -19.181 -19.181
  687    H    LYS  13            HN      LYS  13  11.002 -22.147 -22.147
  688    HA   LYS  13            HA      LYS  13  11.701 -23.082 -23.082
  689   1HB   LYS  13           HB2      LYS  13  12.539 -20.702 -20.702
  690   2HB   LYS  13           HB1      LYS  13  13.611 -21.224 -21.224
  691   1HG   LYS  13           HG2      LYS  13  13.682 -22.913 -22.913
  692   2HG   LYS  13           HG1      LYS  13  14.296 -21.273 -21.273
  693   1HD   LYS  13           HD2      LYS  13  15.165 -22.963 -22.963
  694   2HD   LYS  13           HD1      LYS  13  15.969 -23.099 -23.099
  695   1HE   LYS  13           HE2      LYS  13  17.127 -21.200 -21.200
  696   2HE   LYS  13           HE1      LYS  13  15.646 -20.307 -20.307
  697   1HZ   LYS  13           HZ2      LYS  13  15.781 -21.570 -21.570
  698   2HZ   LYS  13           HZ1      LYS  13  17.424 -21.757 -21.757
  699   3HZ   LYS  13           HZ3      LYS  13  16.760 -20.204 -20.204
  700    H    ARG  14            HN      ARG  14  12.753 -22.716 -22.716
  701    HA   ARG  14            HA      ARG  14  14.771 -24.708 -24.708
  702   1HB   ARG  14           HB2      ARG  14  13.746 -23.034 -23.034
  703   2HB   ARG  14           HB1      ARG  14  13.034 -24.559 -24.559
  704   1HG   ARG  14           HG2      ARG  14  15.941 -24.520 -24.520
  705   2HG   ARG  14           HG1      ARG  14  15.448 -23.839 -23.839
  706   1HD   ARG  14           HD2      ARG  14  14.164 -26.001 -26.001
  707   2HD   ARG  14           HD1      ARG  14  14.994 -26.658 -26.658
  708    HE   ARG  14            HE      ARG  14  17.141 -26.257 -26.257
  709   1HH1  ARG  14          HH21      ARG  14  17.296 -24.977 -24.977
  710   2HH1  ARG  14          HH22      ARG  14  16.596 -25.914 -25.914
  711   1HH2  ARG  14          HH11      ARG  14  14.873 -28.033 -28.033
  712   2HH2  ARG  14          HH12      ARG  14  15.225 -27.644 -27.644
  713    H    GLU  15            HN      GLU  15  14.370 -26.679 -26.679
  714    HA   GLU  15            HA      GLU  15  13.443 -28.811 -28.811
  715   1HB   GLU  15           HB2      GLU  15  12.801 -28.130 -28.130
  716   2HB   GLU  15           HB1      GLU  15  11.968 -29.512 -29.512
  717   1HG   GLU  15           HG2      GLU  15  14.134 -30.486 -30.486
  718   2HG   GLU  15           HG1      GLU  15  14.972 -29.107 -29.107

  Start of MODEL   15
    1   1H    GLY  -8           HT2      GLY  -8  10.937  -1.603  -1.603
    2   2H    GLY  -8           HT1      GLY  -8  11.445  -3.029  -3.029
    3   3H    GLY  -8           HT3      GLY  -8  12.513  -2.186  -2.186
    4   1HA   GLY  -8           HA1      GLY  -8  11.694  -3.499  -3.499
    5   2HA   GLY  -8           HA2      GLY  -8  10.483  -4.284  -4.284
    6    H    SER  -7            HN      SER  -7   9.281  -4.152  -4.152
    7    HA   SER  -7            HA      SER  -7   9.528  -1.759  -1.759
    8   1HB   SER  -7           HB2      SER  -7   9.908  -3.990  -3.990
    9   2HB   SER  -7           HB1      SER  -7   8.276  -4.464  -4.464
   10    HG   SER  -7            HG      SER  -7   9.111  -2.451  -2.451
   11    H    ARG  -6            HN      ARG  -6   8.169  -0.832  -0.832
   12    HA   ARG  -6            HA      ARG  -6   5.505  -0.370  -0.370
   13   1HB   ARG  -6           HB2      ARG  -6   4.257  -1.498  -1.498
   14   2HB   ARG  -6           HB1      ARG  -6   5.046  -2.643  -2.643
   15   1HG   ARG  -6           HG2      ARG  -6   7.040  -2.292  -2.292
   16   2HG   ARG  -6           HG1      ARG  -6   5.653  -2.001  -2.001
   17   1HD   ARG  -6           HD2      ARG  -6   6.138  -4.365  -4.365
   18   2HD   ARG  -6           HD1      ARG  -6   4.657  -4.157  -4.157
   19    HE   ARG  -6            HE      ARG  -6   7.102  -4.214  -4.214
   20   1HH1  ARG  -6          HH21      ARG  -6   6.245  -6.693  -6.693
   21   2HH1  ARG  -6          HH22      ARG  -6   5.602  -7.719  -7.719
   22   1HH2  ARG  -6          HH11      ARG  -6   5.529  -5.218  -5.218
   23   2HH2  ARG  -6          HH12      ARG  -6   5.195  -6.883  -6.883
   24    H    ARG  -5            HN      ARG  -5   5.369   1.726   1.726
   25    HA   ARG  -5            HA      ARG  -5   6.395   2.478   2.478
   26   1HB   ARG  -5           HB2      ARG  -5   5.930   4.303   4.303
   27   2HB   ARG  -5           HB1      ARG  -5   6.747   4.713   4.713
   28   1HG   ARG  -5           HG2      ARG  -5   8.554   3.169   3.169
   29   2HG   ARG  -5           HG1      ARG  -5   7.707   2.565   2.565
   30   1HD   ARG  -5           HD2      ARG  -5   7.866   5.396   5.396
   31   2HD   ARG  -5           HD1      ARG  -5   9.467   4.830   4.830
   32    HE   ARG  -5            HE      ARG  -5   8.054   3.524   3.524
   33   1HH1  ARG  -5          HH11      ARG  -5  10.898   2.887   2.887
   34   2HH1  ARG  -5          HH12      ARG  -5  11.829   3.753   3.753
   35   1HH2  ARG  -5          HH21      ARG  -5   9.157   5.678   5.678
   36   2HH2  ARG  -5          HH22      ARG  -5  10.843   5.334   5.334
   37    H    ALA  -4            HN      ALA  -4   3.696   2.758   2.758
   38    HA   ALA  -4            HA      ALA  -4   2.092   4.134   4.134
   39   1HB   ALA  -4           HB1      ALA  -4   2.327   4.912   4.912
   40   2HB   ALA  -4           HB3      ALA  -4   1.095   3.679   3.679
   41   3HB   ALA  -4           HB2      ALA  -4   0.770   5.023   5.023
   42    H    SER  -3            HN      SER  -3  -0.466   3.253   3.253
   43    HA   SER  -3            HA      SER  -3  -1.989   1.472   1.472
   44   1HB   SER  -3           HB2      SER  -3   0.064   0.348   0.348
   45   2HB   SER  -3           HB1      SER  -3   0.143  -0.609  -0.609
   46    HG   SER  -3            HG      SER  -3  -1.299  -1.397  -1.397
   47    H    VAL  -2            HN      VAL  -2  -2.409   2.229   2.229
   48    HA   VAL  -2            HA      VAL  -2  -0.957   1.306   1.306
   49    HB   VAL  -2            HB      VAL  -2  -3.888   2.089   2.089
   50   1HG1  VAL  -2          HG11      VAL  -2  -1.875   1.911   1.911
   51   2HG1  VAL  -2          HG13      VAL  -2  -3.372   2.833   2.833
   52   3HG1  VAL  -2          HG12      VAL  -2  -3.430   1.090   1.090
   53   1HG2  VAL  -2          HG22      VAL  -2  -1.860   3.675   3.675
   54   2HG2  VAL  -2          HG21      VAL  -2  -3.280   4.308   4.308
   55   3HG2  VAL  -2          HG23      VAL  -2  -1.792   4.006   4.006
   56    H    GLY  -1            HN      GLY  -1  -1.285  -0.521  -0.521
   57   1HA   GLY  -1           HA2      GLY  -1  -3.480  -2.384  -2.384
   58   2HA   GLY  -1           HA1      GLY  -1  -1.836  -2.990  -2.990
   59    H    SER   0            HN      SER   0  -3.705  -1.193  -1.193
   60    HA   SER   0            HA      SER   0  -2.150  -2.502  -2.502
   61   1HB   SER   0           HB2      SER   0  -3.858  -1.180  -1.180
   62   2HB   SER   0           HB1      SER   0  -2.663  -0.259  -0.259
   63    HG   SER   0            HG      SER   0  -4.208   0.503   0.503
   64    H    MET   1            HN      MET   1  -3.056  -3.968  -3.968
   65    HA   MET   1            HA      MET   1  -5.536  -5.319  -5.319
   66   1HB   MET   1           HB2      MET   1  -3.071  -6.254  -6.254
   67   2HB   MET   1           HB1      MET   1  -4.589  -7.081  -7.081
   68   1HG   MET   1           HG2      MET   1  -4.882  -7.793  -7.793
   69   2HG   MET   1           HG1      MET   1  -3.811  -6.555  -6.555
   70   1HE   MET   1           HE2      MET   1  -4.101  -9.382  -9.382
   71   2HE   MET   1           HE1      MET   1  -2.618 -10.324 -10.324
   72   3HE   MET   1           HE3      MET   1  -3.851 -10.427 -10.427
   73    H    GLU   2            HN      GLU   2  -6.454  -6.578  -6.578
   74    HA   GLU   2            HA      GLU   2  -6.805  -4.415  -4.415
   75   1HB   GLU   2           HB2      GLU   2  -8.734  -5.536  -5.536
   76   2HB   GLU   2           HB1      GLU   2  -9.027  -6.272  -6.272
   77   1HG   GLU   2           HG2      GLU   2  -9.468  -4.220  -4.220
   78   2HG   GLU   2           HG1      GLU   2  -8.582  -3.311  -3.311
   79    H    ALA   3            HN      ALA   3  -7.799  -5.557  -5.557
   80    HA   ALA   3            HA      ALA   3  -6.941  -8.292  -8.292
   81   1HB   ALA   3           HB1      ALA   3  -5.445  -5.957  -5.957
   82   2HB   ALA   3           HB3      ALA   3  -5.530  -7.452  -7.452
   83   3HB   ALA   3           HB2      ALA   3  -4.839  -7.465  -7.465
   84    H    ILE   4            HN      ILE   4  -8.467  -9.122  -9.122
   85    HA   ILE   4            HA      ILE   4 -10.499  -7.657  -7.657
   86    HB   ILE   4            HB      ILE   4 -10.924  -9.834  -9.834
   87   1HG1  ILE   4          HG12      ILE   4 -11.053 -10.669 -10.669
   88   2HG1  ILE   4          HG11      ILE   4 -11.618  -9.014  -9.014
   89   1HG2  ILE   4          HG22      ILE   4  -8.445 -10.472 -10.472
   90   2HG2  ILE   4          HG21      ILE   4  -9.710 -11.664 -11.664
   91   3HG2  ILE   4          HG23      ILE   4  -9.225 -11.283 -11.283
   92   1HD1  ILE   4          HD13      ILE   4 -12.501 -11.299 -11.299
   93   2HD1  ILE   4          HD12      ILE   4 -13.360 -10.820 -10.820
   94   3HD1  ILE   4          HD11      ILE   4 -13.204  -9.689  -9.689
   95    H    ALA   5            HN      ALA   5 -10.483  -6.659  -6.659
   96    HA   ALA   5            HA      ALA   5  -8.315  -6.949  -6.949
   97   1HB   ALA   5           HB3      ALA   5 -10.922  -5.446  -5.446
   98   2HB   ALA   5           HB2      ALA   5 -10.087  -5.663  -5.663
   99   3HB   ALA   5           HB1      ALA   5  -9.285  -4.822  -4.822
  100    H    LYS   6            HN      LYS   6  -8.296  -9.118  -9.118
  101    HA   LYS   6            HA      LYS   6 -10.422 -10.840 -10.840
  102   1HB   LYS   6           HB2      LYS   6  -7.775 -10.680 -10.680
  103   2HB   LYS   6           HB1      LYS   6  -8.870 -12.064 -12.064
  104   1HG   LYS   6           HG2      LYS   6  -8.601 -12.439 -12.439
  105   2HG   LYS   6           HG1      LYS   6  -7.768 -10.904 -10.904
  106   1HD   LYS   6           HD2      LYS   6  -5.991 -12.406 -12.406
  107   2HD   LYS   6           HD1      LYS   6  -6.061 -11.885 -11.885
  108   1HE   LYS   6           HE2      LYS   6  -7.788 -14.195 -14.195
  109   2HE   LYS   6           HE1      LYS   6  -6.051 -14.496 -14.496
  110   1HZ   LYS   6           HZ3      LYS   6  -6.074 -13.289 -13.289
  111   2HZ   LYS   6           HZ2      LYS   6  -7.720 -13.707 -13.707
  112   3HZ   LYS   6           HZ1      LYS   6  -6.534 -14.918 -14.918
  113    H    TYR   7            HN      TYR   7  -9.237  -8.239  -8.239
  114    HA   TYR   7            HA      TYR   7 -11.566  -8.651  -8.651
  115   1HB   TYR   7           HB2      TYR   7  -8.820  -8.384  -8.384
  116   2HB   TYR   7           HB1      TYR   7 -10.322  -8.804  -8.804
  117    HD1  TYR   7           HD1      TYR   7 -11.442 -11.032 -11.032
  118    HD2  TYR   7           HD2      TYR   7  -7.415 -10.030 -10.030
  119    HE1  TYR   7           HE1      TYR   7 -10.946 -13.435 -13.435
  120    HE2  TYR   7           HE2      TYR   7  -6.911 -12.419 -12.419
  121    HH   TYR   7            HH      TYR   7  -7.815 -14.636 -14.636
  122    H    ASP   8            HN      ASP   8 -11.088  -6.906  -6.906
  123    HA   ASP   8            HA      ASP   8 -11.040  -4.357  -4.357
  124   1HB   ASP   8           HB2      ASP   8 -12.192  -3.468  -3.468
  125   2HB   ASP   8           HB1      ASP   8 -12.901  -5.045  -5.045
  126    H    PHE   9            HN      PHE   9  -9.954  -2.487  -2.487
  127    HA   PHE   9            HA      PHE   9  -7.958  -2.625  -2.625
  128   1HB   PHE   9           HB2      PHE   9  -7.133  -4.077  -4.077
  129   2HB   PHE   9           HB1      PHE   9  -6.276  -2.544  -2.544
  130    HD1  PHE   9           HD1      PHE   9  -7.353  -4.582  -4.582
  131    HD2  PHE   9           HD2      PHE   9  -4.086  -2.894  -2.894
  132    HE1  PHE   9           HE1      PHE   9  -5.765  -5.341  -5.341
  133    HE2  PHE   9           HE2      PHE   9  -2.500  -3.651  -3.651
  134    HZ   PHE   9            HZ      PHE   9  -3.340  -4.875  -4.875
  135    H    LYS  10            HN      LYS  10  -6.251  -0.761  -0.761
  136    HA   LYS  10            HA      LYS  10  -7.475   1.396   1.396
  137   1HB   LYS  10           HB2      LYS  10  -7.246   3.010   3.010
  138   2HB   LYS  10           HB1      LYS  10  -8.178   1.644   1.644
  139   1HG   LYS  10           HG2      LYS  10  -5.671   0.811   0.811
  140   2HG   LYS  10           HG1      LYS  10  -5.453   2.556   2.556
  141   1HD   LYS  10           HD2      LYS  10  -7.068   2.764   2.764
  142   2HD   LYS  10           HD1      LYS  10  -7.813   1.214   1.214
  143   1HE   LYS  10           HE2      LYS  10  -4.957   1.329   1.329
  144   2HE   LYS  10           HE1      LYS  10  -6.279   1.359   1.359
  145   1HZ   LYS  10           HZ3      LYS  10  -6.278  -0.673  -0.673
  146   2HZ   LYS  10           HZ2      LYS  10  -5.274  -0.891  -0.891
  147   3HZ   LYS  10           HZ1      LYS  10  -6.954  -0.742  -0.742
  148    H    ALA  11            HN      ALA  11  -5.895   3.363   3.363
  149    HA   ALA  11            HA      ALA  11  -3.471   2.371   2.371
  150   1HB   ALA  11           HB3      ALA  11  -4.882   4.639   4.639
  151   2HB   ALA  11           HB2      ALA  11  -3.631   5.232   5.232
  152   3HB   ALA  11           HB1      ALA  11  -3.186   4.493   4.493
  153    H    THR  12            HN      THR  12  -1.423   2.258   2.258
  154    HA   THR  12            HA      THR  12  -1.299   3.116   3.116
  155    HB   THR  12            HB      THR  12   0.494   1.288   1.288
  156    HG1  THR  12           HG1      THR  12   0.149  -0.349  -0.349
  157   1HG2  THR  12          HG22      THR  12  -2.082   1.213   1.213
  158   2HG2  THR  12          HG21      THR  12  -2.139   0.072   0.072
  159   3HG2  THR  12          HG23      THR  12  -1.111  -0.258  -0.258
  160    H    ALA  13            HN      ALA  13  -0.666   4.906   4.906
  161    HA   ALA  13            HA      ALA  13   1.893   5.876   5.876
  162   1HB   ALA  13           HB2      ALA  13   1.884   4.411   4.411
  163   2HB   ALA  13           HB1      ALA  13   3.176   5.469   5.469
  164   3HB   ALA  13           HB3      ALA  13   2.819   3.969   3.969
  165    H    ASP  14            HN      ASP  14   2.716   7.463   7.463
  166    HA   ASP  14            HA      ASP  14   0.491   9.235   9.235
  167   1HB   ASP  14           HB2      ASP  14   2.881   9.721   9.721
  168   2HB   ASP  14           HB1      ASP  14   3.315   9.643   9.643
  169    H    ASP  15            HN      ASP  15   1.647   6.644   6.644
  170    HA   ASP  15            HA      ASP  15   0.583   7.680   7.680
  171   1HB   ASP  15           HB2      ASP  15   3.368   6.830   6.830
  172   2HB   ASP  15           HB1      ASP  15   2.620   6.242   6.242
  173    H    GLU  16            HN      GLU  16  -0.407   5.855   5.855
  174    HA   GLU  16            HA      GLU  16  -0.284   3.250   3.250
  175   1HB   GLU  16           HB2      GLU  16   0.187   3.643   3.643
  176   2HB   GLU  16           HB1      GLU  16  -1.556   3.565   3.565
  177   1HG   GLU  16           HG2      GLU  16  -1.571   1.350   1.350
  178   2HG   GLU  16           HG1      GLU  16  -0.568   1.463   1.463
  179    H    LEU  17            HN      LEU  17  -2.529   2.031   2.031
  180    HA   LEU  17            HA      LEU  17  -4.667   3.914   3.914
  181   1HB   LEU  17           HB2      LEU  17  -3.540   1.994   1.994
  182   2HB   LEU  17           HB1      LEU  17  -4.876   1.091   1.091
  183    HG   LEU  17            HG      LEU  17  -5.264   3.805   3.805
  184   1HD1  LEU  17          HD11      LEU  17  -5.262   1.042   1.042
  185   2HD1  LEU  17          HD13      LEU  17  -6.155   2.392   2.392
  186   3HD1  LEU  17          HD12      LEU  17  -4.406   2.485   2.485
  187   1HD2  LEU  17          HD22      LEU  17  -6.959   1.786   1.786
  188   2HD2  LEU  17          HD21      LEU  17  -7.304   3.479   3.479
  189   3HD2  LEU  17          HD23      LEU  17  -7.553   2.249   2.249
  190    H    SER  18            HN      SER  18  -6.761   3.590   3.590
  191    HA   SER  18            HA      SER  18  -7.081   1.671   1.671
  192   1HB   SER  18           HB2      SER  18  -8.820   3.961   3.961
  193   2HB   SER  18           HB1      SER  18  -8.585   3.135   3.135
  194    HG   SER  18            HG      SER  18  -7.203   5.201   5.201
  195    H    PHE  19            HN      PHE  19  -8.633   0.071   0.071
  196    HA   PHE  19            HA      PHE  19 -10.776   0.470   0.470
  197   1HB   PHE  19           HB2      PHE  19 -10.206  -1.654  -1.654
  198   2HB   PHE  19           HB1      PHE  19  -8.944  -0.437  -0.437
  199    HD1  PHE  19           HD1      PHE  19  -9.935  -3.451  -3.451
  200    HD2  PHE  19           HD2      PHE  19  -6.744  -0.818  -0.818
  201    HE1  PHE  19           HE1      PHE  19  -8.282  -5.006  -5.006
  202    HE2  PHE  19           HE2      PHE  19  -5.096  -2.370  -2.370
  203    HZ   PHE  19            HZ      PHE  19  -5.865  -4.464  -4.464
  204    H    LYS  20            HN      LYS  20 -12.246  -1.546  -1.546
  205    HA   LYS  20            HA      LYS  20 -12.401  -2.661  -2.661
  206   1HB   LYS  20           HB2      LYS  20 -14.652  -2.200  -2.200
  207   2HB   LYS  20           HB1      LYS  20 -14.815  -2.725  -2.725
  208   1HG   LYS  20           HG2      LYS  20 -13.266  -0.249  -0.249
  209   2HG   LYS  20           HG1      LYS  20 -14.928  -0.111  -0.111
  210   1HD   LYS  20           HD2      LYS  20 -15.821  -0.688  -0.688
  211   2HD   LYS  20           HD1      LYS  20 -14.288  -1.357  -1.357
  212   1HE   LYS  20           HE2      LYS  20 -13.775   1.349   1.349
  213   2HE   LYS  20           HE1      LYS  20 -15.267   1.343   1.343
  214   1HZ   LYS  20           HZ1      LYS  20 -12.750  -0.005  -0.005
  215   2HZ   LYS  20           HZ3      LYS  20 -13.269   1.501   1.501
  216   3HZ   LYS  20           HZ2      LYS  20 -14.176   0.104   0.104
  217    H    ARG  21            HN      ARG  21 -13.927  -4.713  -4.713
  218    HA   ARG  21            HA      ARG  21 -12.515  -6.663  -6.663
  219   1HB   ARG  21           HB2      ARG  21 -13.510  -7.082  -7.082
  220   2HB   ARG  21           HB1      ARG  21 -15.112  -6.929  -6.929
  221   1HG   ARG  21           HG2      ARG  21 -14.824  -8.869  -8.869
  222   2HG   ARG  21           HG1      ARG  21 -13.073  -8.877  -8.877
  223   1HD   ARG  21           HD2      ARG  21 -13.236  -9.886  -9.886
  224   2HD   ARG  21           HD1      ARG  21 -14.662  -8.952  -8.952
  225    HE   ARG  21            HE      ARG  21 -14.672 -11.532 -11.532
  226   1HH1  ARG  21          HH11      ARG  21 -16.500  -8.756  -8.756
  227   2HH1  ARG  21          HH12      ARG  21 -17.992  -9.476  -9.476
  228   1HH2  ARG  21          HH21      ARG  21 -16.536 -12.476 -12.476
  229   2HH2  ARG  21          HH22      ARG  21 -18.012 -11.580 -11.580
  230    H    GLY  22            HN      GLY  22 -12.859  -6.695  -6.695
  231   1HA   GLY  22           HA2      GLY  22 -14.416  -7.531  -7.531
  232   2HA   GLY  22           HA1      GLY  22 -15.683  -6.584  -6.584
  233    H    ASP  23            HN      ASP  23 -13.077  -4.597  -4.597
  234    HA   ASP  23            HA      ASP  23 -13.901  -3.022  -3.022
  235   1HB   ASP  23           HB2      ASP  23 -12.396  -2.683  -2.683
  236   2HB   ASP  23           HB1      ASP  23 -11.773  -1.769  -1.769
  237    H    ILE  24            HN      ILE  24 -13.124  -4.314  -4.314
  238    HA   ILE  24            HA      ILE  24 -10.399  -5.232  -5.232
  239    HB   ILE  24            HB      ILE  24 -12.043  -4.687  -4.687
  240   1HG1  ILE  24          HG12      ILE  24 -12.392  -6.834  -6.834
  241   2HG1  ILE  24          HG11      ILE  24 -13.637  -5.841  -5.841
  242   1HG2  ILE  24          HG22      ILE  24  -9.535  -5.572  -5.572
  243   2HG2  ILE  24          HG21      ILE  24 -10.356  -7.103  -7.103
  244   3HG2  ILE  24          HG23      ILE  24 -10.600  -6.221  -6.221
  245   1HD1  ILE  24          HD13      ILE  24 -12.870  -7.051  -7.051
  246   2HD1  ILE  24          HD12      ILE  24 -12.220  -8.249  -8.249
  247   3HD1  ILE  24          HD11      ILE  24 -13.946  -7.885  -7.885
  248    H    LEU  25            HN      LEU  25  -8.670  -4.083  -4.083
  249    HA   LEU  25            HA      LEU  25  -8.845  -1.240  -1.240
  250   1HB   LEU  25           HB2      LEU  25  -6.423  -2.888  -2.888
  251   2HB   LEU  25           HB1      LEU  25  -6.552  -1.127  -1.127
  252    HG   LEU  25            HG      LEU  25  -8.679  -1.754  -1.754
  253   1HD1  LEU  25          HD12      LEU  25  -6.844  -4.092  -4.092
  254   2HD1  LEU  25          HD11      LEU  25  -7.450  -3.525  -3.525
  255   3HD1  LEU  25          HD13      LEU  25  -8.585  -4.021  -4.021
  256   1HD2  LEU  25          HD22      LEU  25  -5.781  -1.435  -1.435
  257   2HD2  LEU  25          HD21      LEU  25  -7.002  -0.170  -0.170
  258   3HD2  LEU  25          HD23      LEU  25  -7.114  -1.375  -1.375
  259    H    LYS  26            HN      LYS  26  -7.068  -0.325  -0.325
  260    HA   LYS  26            HA      LYS  26  -6.797  -2.139  -2.139
  261   1HB   LYS  26           HB2      LYS  26  -6.976   0.885   0.885
  262   2HB   LYS  26           HB1      LYS  26  -6.631   0.004   0.004
  263   1HG   LYS  26           HG2      LYS  26  -8.769  -1.149  -1.149
  264   2HG   LYS  26           HG1      LYS  26  -9.108  -0.416  -0.416
  265   1HD   LYS  26           HD2      LYS  26  -9.187   1.798   1.798
  266   2HD   LYS  26           HD1      LYS  26  -8.667   1.165   1.165
  267   1HE   LYS  26           HE2      LYS  26 -10.715   0.109   0.109
  268   2HE   LYS  26           HE1      LYS  26 -11.141   0.069   0.069
  269   1HZ   LYS  26           HZ1      LYS  26 -10.824   2.628   2.628
  270   2HZ   LYS  26           HZ3      LYS  26 -12.290   1.779   1.779
  271   3HZ   LYS  26           HZ2      LYS  26 -11.667   2.315   2.315
  272    H    VAL  27            HN      VAL  27  -4.725  -2.993  -2.993
  273    HA   VAL  27            HA      VAL  27  -2.532  -1.674  -1.674
  274    HB   VAL  27            HB      VAL  27  -2.388  -3.778  -3.778
  275   1HG1  VAL  27          HG11      VAL  27  -0.335  -2.303  -2.303
  276   2HG1  VAL  27          HG13      VAL  27  -0.385  -3.719  -3.719
  277   3HG1  VAL  27          HG12      VAL  27  -0.153  -3.919  -3.919
  278   1HG2  VAL  27          HG21      VAL  27  -3.828  -4.466  -4.466
  279   2HG2  VAL  27          HG23      VAL  27  -2.322  -5.382  -5.382
  280   3HG2  VAL  27          HG22      VAL  27  -2.532  -4.056  -4.056
  281    H    LEU  28            HN      LEU  28  -1.769   0.243   0.243
  282    HA   LEU  28            HA      LEU  28  -1.717   0.976   0.976
  283   1HB   LEU  28           HB2      LEU  28  -0.498   2.781   2.781
  284   2HB   LEU  28           HB1      LEU  28  -1.455   3.188   3.188
  285    HG   LEU  28            HG      LEU  28  -3.102   1.744   1.744
  286   1HD1  LEU  28          HD12      LEU  28  -1.496   4.083   4.083
  287   2HD1  LEU  28          HD11      LEU  28  -3.050   3.642   3.642
  288   3HD1  LEU  28          HD13      LEU  28  -1.710   2.499   2.499
  289   1HD2  LEU  28          HD21      LEU  28  -3.375   3.732   3.732
  290   2HD2  LEU  28          HD23      LEU  28  -4.618   3.277   3.277
  291   3HD2  LEU  28          HD22      LEU  28  -3.542   4.631   4.631
  292    H    ASN  29            HN      ASN  29   0.435   0.078   0.078
  293    HA   ASN  29            HA      ASN  29   2.606  -0.199  -0.199
  294   1HB   ASN  29           HB2      ASN  29   2.488   2.219   2.219
  295   2HB   ASN  29           HB1      ASN  29   3.354   1.413   1.413
  296   1HD2  ASN  29          HD22      ASN  29   6.189   2.347   2.347
  297   2HD2  ASN  29          HD21      ASN  29   5.217   2.865   2.865
  298    H    GLU  30            HN      GLU  30   4.448  -1.291  -1.291
  299    HA   GLU  30            HA      GLU  30   4.020  -3.075  -3.075
  300   1HB   GLU  30           HB2      GLU  30   4.587  -3.696  -3.696
  301   2HB   GLU  30           HB1      GLU  30   6.205  -3.625  -3.625
  302   1HG   GLU  30           HG2      GLU  30   5.819  -5.407  -5.407
  303   2HG   GLU  30           HG1      GLU  30   4.084  -5.099  -5.099
  304    H    GLU  31            HN      GLU  31   6.822  -3.759  -3.759
  305    HA   GLU  31            HA      GLU  31   8.830  -3.084  -3.084
  306   1HB   GLU  31           HB2      GLU  31   7.921  -0.583  -0.583
  307   2HB   GLU  31           HB1      GLU  31   9.127  -0.412  -0.412
  308   1HG   GLU  31           HG2      GLU  31   9.531  -2.595  -2.595
  309   2HG   GLU  31           HG1      GLU  31   9.795  -0.939  -0.939
  310    H    CYS  32            HN      CYS  32   9.501  -1.151  -1.151
  311    HA   CYS  32            HA      CYS  32   9.119  -0.313  -0.313
  312   1HB   CYS  32           HB2      CYS  32   6.690   0.160   0.160
  313   2HB   CYS  32           HB1      CYS  32   6.230  -0.966  -0.966
  314    HG   CYS  32            HG      CYS  32   6.216   1.215   1.215
  315    H    ASP  33            HN      ASP  33   7.402  -1.391  -1.391
  316    HA   ASP  33            HA      ASP  33   8.676  -3.475  -3.475
  317   1HB   ASP  33           HB2      ASP  33   6.493  -2.275  -2.275
  318   2HB   ASP  33           HB1      ASP  33   5.700  -3.643  -3.643
  319    H    GLN  34            HN      GLN  34   8.559  -5.733  -5.733
  320    HA   GLN  34            HA      GLN  34   7.977  -6.852  -6.852
  321   1HB   GLN  34           HB2      GLN  34   9.740  -7.524  -7.524
  322   2HB   GLN  34           HB1      GLN  34   8.905  -8.942  -8.942
  323   1HG   GLN  34           HG2      GLN  34   9.985  -8.847  -8.847
  324   2HG   GLN  34           HG1      GLN  34  10.008  -7.084  -7.084
  325   1HE2  GLN  34          HE22      GLN  34  13.507  -7.579  -7.579
  326   2HE2  GLN  34          HE21      GLN  34  12.353  -7.275  -7.275
  327    H    ASN  35            HN      ASN  35   5.907  -6.180  -6.180
  328    HA   ASN  35            HA      ASN  35   4.345  -8.632  -8.632
  329   1HB   ASN  35           HB2      ASN  35   5.181  -7.553  -7.553
  330   2HB   ASN  35           HB1      ASN  35   3.634  -8.387  -8.387
  331   1HD2  ASN  35          HD22      ASN  35   7.044 -10.546 -10.546
  332   2HD2  ASN  35          HD21      ASN  35   7.032  -8.870  -8.870
  333    H    TRP  36            HN      TRP  36   4.349  -5.345  -5.345
  334    HA   TRP  36            HA      TRP  36   1.377  -5.281  -5.281
  335   1HB   TRP  36           HB2      TRP  36   3.188  -2.902  -2.902
  336   2HB   TRP  36           HB1      TRP  36   1.435  -2.961  -2.961
  337    HD1  TRP  36           HD1      TRP  36   4.274  -5.327  -5.327
  338    HE1  TRP  36           HE1      TRP  36   3.963  -5.603  -5.603
  339    HE3  TRP  36           HE3      TRP  36   0.182  -2.284  -2.284
  340    HZ2  TRP  36           HZ2      TRP  36   2.341  -4.676  -4.676
  341    HZ3  TRP  36           HZ3      TRP  36  -0.656  -1.998  -1.998
  342    HH2  TRP  36           HH2      TRP  36   0.402  -3.197  -3.197
  343    H    TYR  37            HN      TYR  37   0.303  -4.232  -4.232
  344    HA   TYR  37            HA      TYR  37   1.997  -3.570  -3.570
  345   1HB   TYR  37           HB2      TYR  37  -0.972  -4.111  -4.111
  346   2HB   TYR  37           HB1      TYR  37  -0.124  -3.777  -3.777
  347    HD1  TYR  37           HD1      TYR  37   2.349  -5.390  -5.390
  348    HD2  TYR  37           HD2      TYR  37  -1.720  -6.278  -6.278
  349    HE1  TYR  37           HE1      TYR  37   2.804  -7.816  -7.816
  350    HE2  TYR  37           HE2      TYR  37  -1.278  -8.690  -8.690
  351    HH   TYR  37            HH      TYR  37   0.951  -9.977  -9.977
  352    H    LYS  38            HN      LYS  38   1.650  -1.594  -1.594
  353    HA   LYS  38            HA      LYS  38   0.347   0.583   0.583
  354   1HB   LYS  38           HB2      LYS  38   2.554   0.900   0.900
  355   2HB   LYS  38           HB1      LYS  38   1.608   0.767   0.767
  356   1HG   LYS  38           HG2      LYS  38   0.114   2.576   2.576
  357   2HG   LYS  38           HG1      LYS  38   1.734   2.972   2.972
  358   1HD   LYS  38           HD2      LYS  38   1.902   2.568   2.568
  359   2HD   LYS  38           HD1      LYS  38   0.525   3.627   3.627
  360   1HE   LYS  38           HE2      LYS  38   2.180   4.859   4.859
  361   2HE   LYS  38           HE1      LYS  38   3.422   4.064   4.064
  362   1HZ   LYS  38           HZ1      LYS  38   1.230   5.726   5.726
  363   2HZ   LYS  38           HZ3      LYS  38   2.807   6.283   6.283
  364   3HZ   LYS  38           HZ2      LYS  38   2.531   5.054   5.054
  365    H    ALA  39            HN      ALA  39  -1.735   1.301   1.301
  366    HA   ALA  39            HA      ALA  39  -2.897   0.703   0.703
  367   1HB   ALA  39           HB2      ALA  39  -2.992  -1.469  -1.469
  368   2HB   ALA  39           HB1      ALA  39  -3.961  -0.695  -0.695
  369   3HB   ALA  39           HB3      ALA  39  -4.592  -0.825  -0.825
  370    H    GLU  40            HN      GLU  40  -5.454   0.892   0.892
  371    HA   GLU  40            HA      GLU  40  -5.992   3.151   3.151
  372   1HB   GLU  40           HB2      GLU  40  -5.668   4.748   4.748
  373   2HB   GLU  40           HB1      GLU  40  -4.955   3.530   3.530
  374   1HG   GLU  40           HG2      GLU  40  -7.128   3.160   3.160
  375   2HG   GLU  40           HG1      GLU  40  -7.910   4.268   4.268
  376    H    LEU  41            HN      LEU  41  -7.938   3.262   3.262
  377    HA   LEU  41            HA      LEU  41  -9.985   1.513   1.513
  378   1HB   LEU  41           HB2      LEU  41  -9.532   2.476   2.476
  379   2HB   LEU  41           HB1      LEU  41 -11.207   2.215   2.215
  380    HG   LEU  41            HG      LEU  41  -9.121   0.180   0.180
  381   1HD1  LEU  41          HD11      LEU  41 -10.511   0.723   0.723
  382   2HD1  LEU  41          HD13      LEU  41 -10.025  -0.914  -0.914
  383   3HD1  LEU  41          HD12      LEU  41  -8.811   0.354   0.354
  384   1HD2  LEU  41          HD21      LEU  41 -11.382   0.128   0.128
  385   2HD2  LEU  41          HD23      LEU  41 -11.082  -1.275  -1.275
  386   3HD2  LEU  41          HD22      LEU  41 -12.088   0.049   0.049
  387    H    ASN  42            HN      ASN  42 -10.757   2.580   2.580
  388    HA   ASN  42            HA      ASN  42 -11.932   4.238   4.238
  389   1HB   ASN  42           HB2      ASN  42 -13.301   3.593   3.593
  390   2HB   ASN  42           HB1      ASN  42 -13.934   4.951   4.951
  391   1HD2  ASN  42          HD22      ASN  42 -14.301   1.139   1.139
  392   2HD2  ASN  42          HD21      ASN  42 -13.308   1.447   1.447
  393    H    GLY  43            HN      GLY  43  -9.770   5.452   5.452
  394   1HA   GLY  43           HA2      GLY  43  -9.821   8.093   8.093
  395   2HA   GLY  43           HA1      GLY  43 -10.999   8.021   8.021
  396    H    LYS  44            HN      LYS  44  -9.652   5.982   5.982
  397    HA   LYS  44            HA      LYS  44  -7.569   7.619   7.619
  398   1HB   LYS  44           HB2      LYS  44  -9.151   5.237   5.237
  399   2HB   LYS  44           HB1      LYS  44  -7.550   5.503   5.503
  400   1HG   LYS  44           HG2      LYS  44  -9.191   6.620   6.620
  401   2HG   LYS  44           HG1      LYS  44  -8.200   7.824   7.824
  402   1HD   LYS  44           HD2      LYS  44 -10.570   8.468   8.468
  403   2HD   LYS  44           HD1      LYS  44  -9.975   8.064   8.064
  404   1HE   LYS  44           HE2      LYS  44 -10.999   5.880   5.880
  405   2HE   LYS  44           HE1      LYS  44 -11.424   6.095   6.095
  406   1HZ   LYS  44           HZ3      LYS  44 -12.397   7.942   7.942
  407   2HZ   LYS  44           HZ2      LYS  44 -13.227   6.509   6.509
  408   3HZ   LYS  44           HZ1      LYS  44 -13.007   7.704   7.704
  409    H    ASP  45            HN      ASP  45  -5.626   6.369   6.369
  410    HA   ASP  45            HA      ASP  45  -4.897   4.176   4.176
  411   1HB   ASP  45           HB2      ASP  45  -3.623   5.196   5.196
  412   2HB   ASP  45           HB1      ASP  45  -4.828   6.437   6.437
  413    H    GLY  46            HN      GLY  46  -2.340   3.901   3.901
  414   1HA   GLY  46           HA2      GLY  46  -0.417   4.472   4.472
  415   2HA   GLY  46           HA1      GLY  46  -1.573   4.385   4.385
  416    H    PHE  47            HN      PHE  47   0.603   2.819   2.819
  417    HA   PHE  47            HA      PHE  47   0.494   0.233   0.233
  418   1HB   PHE  47           HB2      PHE  47   1.575   0.884   0.884
  419   2HB   PHE  47           HB1      PHE  47   2.059  -0.448  -0.448
  420    HD1  PHE  47           HD2      PHE  47   2.512   0.597   0.597
  421    HD2  PHE  47           HD1      PHE  47   3.223   2.516   2.516
  422    HE1  PHE  47           HE2      PHE  47   4.212   2.058   2.058
  423    HE2  PHE  47           HE1      PHE  47   4.922   3.977   3.977
  424    HZ   PHE  47            HZ      PHE  47   5.417   3.748   3.748
  425    H    ILE  48            HN      ILE  48  -0.060  -1.830  -1.830
  426    HA   ILE  48            HA      ILE  48  -2.003  -1.579  -1.579
  427    HB   ILE  48            HB      ILE  48  -3.618  -3.089  -3.089
  428   1HG1  ILE  48          HG12      ILE  48  -2.336  -2.035  -2.035
  429   2HG1  ILE  48          HG11      ILE  48  -1.705  -3.509  -3.509
  430   1HG2  ILE  48          HG22      ILE  48  -3.498  -0.383  -0.383
  431   2HG2  ILE  48          HG21      ILE  48  -3.490  -0.579  -0.579
  432   3HG2  ILE  48          HG23      ILE  48  -4.811  -1.247  -1.247
  433   1HD1  ILE  48          HD11      ILE  48  -4.663  -3.281  -3.281
  434   2HD1  ILE  48          HD13      ILE  48  -3.689  -3.592  -3.592
  435   3HD1  ILE  48          HD12      ILE  48  -3.633  -4.710  -4.710
  436    HA   PRO  49            HA      PRO  49   0.244  -5.261  -5.261
  437   1HB   PRO  49           HB2      PRO  49  -1.418  -6.340  -6.340
  438   2HB   PRO  49           HB1      PRO  49  -0.220  -5.063  -5.063
  439   1HG   PRO  49           HG2      PRO  49  -3.207  -4.834  -4.834
  440   2HG   PRO  49           HG1      PRO  49  -2.093  -3.813  -3.813
  441   1HD   PRO  49           HD2      PRO  49  -3.160  -3.107  -3.107
  442   2HD   PRO  49           HD1      PRO  49  -1.739  -2.384  -2.384
  443    H    LYS  50            HN      LYS  50   0.254  -6.665  -6.665
  444    HA   LYS  50            HA      LYS  50  -1.806  -7.690  -7.690
  445   1HB   LYS  50           HB2      LYS  50   0.586  -7.765  -7.765
  446   2HB   LYS  50           HB1      LYS  50   0.820  -8.968  -8.968
  447   1HG   LYS  50           HG2      LYS  50  -0.800 -10.448 -10.448
  448   2HG   LYS  50           HG1      LYS  50  -0.786  -9.271  -9.271
  449   1HD   LYS  50           HD2      LYS  50   1.491  -9.625  -9.625
  450   2HD   LYS  50           HD1      LYS  50   1.800 -10.305 -10.305
  451   1HE   LYS  50           HE2      LYS  50   0.638 -12.343 -12.343
  452   2HE   LYS  50           HE1      LYS  50   0.037 -11.651 -11.651
  453   1HZ   LYS  50           HZ2      LYS  50   2.577 -11.319 -11.319
  454   2HZ   LYS  50           HZ1      LYS  50   2.733 -12.590 -12.590
  455   3HZ   LYS  50           HZ3      LYS  50   1.835 -12.817 -12.817
  456    H    ASN  51            HN      ASN  51  -0.970  -8.718  -8.718
  457    HA   ASN  51            HA      ASN  51  -1.878 -11.335 -11.335
  458   1HB   ASN  51           HB2      ASN  51  -1.342  -9.358  -9.358
  459   2HB   ASN  51           HB1      ASN  51  -2.305 -10.715 -10.715
  460   1HD2  ASN  51          HD22      ASN  51   1.391 -11.696 -11.696
  461   2HD2  ASN  51          HD21      ASN  51   0.436 -10.558 -10.558
  462    H    TYR  52            HN      TYR  52  -3.520  -8.336  -8.336
  463    HA   TYR  52            HA      TYR  52  -6.130  -9.659  -9.659
  464   1HB   TYR  52           HB2      TYR  52  -5.193  -6.788  -6.788
  465   2HB   TYR  52           HB1      TYR  52  -6.889  -7.196  -7.196
  466    HD1  TYR  52           HD1      TYR  52  -4.096  -9.005  -9.005
  467    HD2  TYR  52           HD2      TYR  52  -7.527  -6.489  -6.489
  468    HE1  TYR  52           HE1      TYR  52  -4.009  -9.188  -9.188
  469    HE2  TYR  52           HE2      TYR  52  -7.446  -6.679  -6.679
  470    HH   TYR  52            HH      TYR  52  -5.952  -7.227  -7.227
  471    H    ILE  53            HN      ILE  53  -4.558  -9.814  -9.814
  472    HA   ILE  53            HA      ILE  53  -6.602  -8.755  -8.755
  473    HB   ILE  53            HB      ILE  53  -3.971  -8.344  -8.344
  474   1HG1  ILE  53          HG12      ILE  53  -3.588  -7.640  -7.640
  475   2HG1  ILE  53          HG11      ILE  53  -3.272  -6.409  -6.409
  476   1HG2  ILE  53          HG21      ILE  53  -6.198  -7.665  -7.665
  477   2HG2  ILE  53          HG23      ILE  53  -6.204  -6.365  -6.365
  478   3HG2  ILE  53          HG22      ILE  53  -4.929  -6.446  -6.446
  479   1HD1  ILE  53          HD11      ILE  53  -6.007  -6.271  -6.271
  480   2HD1  ILE  53          HD13      ILE  53  -4.992  -6.272  -6.272
  481   3HD1  ILE  53          HD12      ILE  53  -4.734  -5.067  -5.067
  482    H    GLU  54            HN      GLU  54  -6.505  -9.607  -9.607
  483    HA   GLU  54            HA      GLU  54  -4.747 -11.831 -11.831
  484   1HB   GLU  54           HB2      GLU  54  -7.579 -12.093 -12.093
  485   2HB   GLU  54           HB1      GLU  54  -7.135 -12.570 -12.570
  486   1HG   GLU  54           HG2      GLU  54  -5.177 -13.819 -13.819
  487   2HG   GLU  54           HG1      GLU  54  -6.424 -13.824 -13.824
  488    H    MET  55            HN      MET  55  -4.461 -12.127 -12.127
  489    HA   MET  55            HA      MET  55  -4.882  -9.536  -9.536
  490   1HB   MET  55           HB2      MET  55  -2.621 -10.912 -10.912
  491   2HB   MET  55           HB1      MET  55  -3.203 -11.678 -11.678
  492   1HG   MET  55           HG2      MET  55  -3.430  -9.485  -9.485
  493   2HG   MET  55           HG1      MET  55  -2.911  -8.686  -8.686
  494   1HE   MET  55           HE1      MET  55  -2.391 -11.132 -11.132
  495   2HE   MET  55           HE3      MET  55  -0.725 -10.952 -10.952
  496   3HE   MET  55           HE2      MET  55  -1.094 -12.063 -12.063
  497    H    LYS  56            HN      LYS  56  -6.701  -9.431  -9.431
  498    HA   LYS  56            HA      LYS  56  -7.437 -11.772 -11.772
  499   1HB   LYS  56           HB2      LYS  56  -8.904  -9.525  -9.525
  500   2HB   LYS  56           HB1      LYS  56  -9.491 -10.179 -10.179
  501   1HG   LYS  56           HG2      LYS  56  -9.232 -12.487 -12.487
  502   2HG   LYS  56           HG1      LYS  56  -9.087 -11.610 -11.610
  503   1HD   LYS  56           HD2      LYS  56 -11.407 -11.202 -11.202
  504   2HD   LYS  56           HD1      LYS  56 -11.444 -12.399 -12.399
  505   1HE   LYS  56           HE2      LYS  56 -10.561 -10.106 -10.106
  506   2HE   LYS  56           HE1      LYS  56 -11.758  -9.494  -9.494
  507   1HZ   LYS  56           HZ3      LYS  56 -13.328 -11.141 -11.141
  508   2HZ   LYS  56           HZ2      LYS  56 -12.175 -11.709 -11.709
  509   3HZ   LYS  56           HZ1      LYS  56 -12.794 -10.134 -10.134
  510    HA   PRO  57            HA      PRO  57  -6.237  -9.839  -9.839
  511   1HB   PRO  57           HB2      PRO  57  -7.635 -11.302 -11.302
  512   2HB   PRO  57           HB1      PRO  57  -6.171 -11.875 -11.875
  513   1HG   PRO  57           HG2      PRO  57  -8.994 -12.598 -12.598
  514   2HG   PRO  57           HG1      PRO  57  -7.533 -13.514 -13.514
  515   1HD   PRO  57           HD2      PRO  57  -9.056 -12.098 -12.098
  516   2HD   PRO  57           HD1      PRO  57  -7.433 -12.779 -12.779
  517    H    HIS  58            HN      HIS  58  -7.611  -9.395  -9.395
  518    HA   HIS  58            HA      HIS  58 -10.204  -8.147  -8.147
  519   1HB   HIS  58           HB2      HIS  58  -7.704  -6.644  -6.644
  520   2HB   HIS  58           HB1      HIS  58  -8.954  -6.130  -6.130
  521    HD1  HIS  58           HD1      HIS  58 -11.468  -5.982  -5.982
  522    HD2  HIS  58           HD2      HIS  58  -7.950  -5.243  -5.243
  523    HE1  HIS  58           HE1      HIS  58 -12.131  -4.670  -4.670
  524    HA   PRO  59            HA      PRO  59 -10.429  -9.893  -9.893
  525   1HB   PRO  59           HB2      PRO  59 -13.148  -9.653  -9.653
  526   2HB   PRO  59           HB1      PRO  59 -12.377 -10.971 -10.971
  527   1HG   PRO  59           HG2      PRO  59 -13.852  -8.594  -8.594
  528   2HG   PRO  59           HG1      PRO  59 -13.626 -10.189 -10.189
  529   1HD   PRO  59           HD2      PRO  59 -12.200  -7.838  -7.838
  530   2HD   PRO  59           HD1      PRO  59 -11.765  -9.494  -9.494
  531    H    GLU  60            HN      GLU  60 -11.767  -9.092  -9.092
  532    HA   GLU  60            HA      GLU  60 -11.113  -6.214  -6.214
  533   1HB   GLU  60           HB2      GLU  60 -10.331  -7.994  -7.994
  534   2HB   GLU  60           HB1      GLU  60 -12.014  -8.127  -8.127
  535   1HG   GLU  60           HG2      GLU  60 -11.853  -5.506  -5.506
  536   2HG   GLU  60           HG1      GLU  60 -10.121  -5.822  -5.822
  537    H    PHE  61            HN      PHE  61 -13.829  -8.442  -8.442
  538    HA   PHE  61            HA      PHE  61 -15.765  -6.405  -6.405
  539   1HB   PHE  61           HB2      PHE  61 -15.018  -6.735  -6.735
  540   2HB   PHE  61           HB1      PHE  61 -16.741  -6.996  -6.996
  541    HD1  PHE  61           HD1      PHE  61 -17.948  -5.235  -5.235
  542    HD2  PHE  61           HD2      PHE  61 -14.216  -4.546  -4.546
  543    HE1  PHE  61           HE1      PHE  61 -18.296  -2.788  -2.788
  544    HE2  PHE  61           HE2      PHE  61 -14.565  -2.098  -2.098
  545    HZ   PHE  61            HZ      PHE  61 -16.605  -1.219  -1.219
  546    H    ILE  62            HN      ILE  62 -15.606  -8.668  -8.668
  547    HA   ILE  62            HA      ILE  62 -16.783 -10.594 -10.594
  548    HB   ILE  62            HB      ILE  62 -18.836  -9.652  -9.652
  549   1HG1  ILE  62          HG12      ILE  62 -19.149  -9.089  -9.089
  550   2HG1  ILE  62          HG11      ILE  62 -17.941  -8.127  -8.127
  551   1HG2  ILE  62          HG21      ILE  62 -18.870 -12.026 -12.026
  552   2HG2  ILE  62          HG23      ILE  62 -19.399 -11.129 -11.129
  553   3HG2  ILE  62          HG22      ILE  62 -20.351 -11.068 -11.068
  554   1HD1  ILE  62          HD13      ILE  62 -19.835  -7.831  -7.831
  555   2HD1  ILE  62          HD12      ILE  62 -20.904  -8.273  -8.273
  556   3HD1  ILE  62          HD11      ILE  62 -19.868  -6.852  -6.852
  557    H    VAL  63            HN      VAL  63 -15.682 -12.378 -12.378
  558    HA   VAL  63            HA      VAL  63 -15.565 -13.053 -13.053
  559    HB   VAL  63            HB      VAL  63 -14.523 -14.614 -14.614
  560   1HG1  VAL  63          HG13      VAL  63 -14.833 -15.646 -15.646
  561   2HG1  VAL  63          HG12      VAL  63 -13.426 -14.664 -14.664
  562   3HG1  VAL  63          HG11      VAL  63 -13.312 -15.892 -15.892
  563   1HG2  VAL  63          HG22      VAL  63 -13.663 -12.218 -12.218
  564   2HG2  VAL  63          HG21      VAL  63 -12.435 -13.482 -13.482
  565   3HG2  VAL  63          HG23      VAL  63 -12.968 -12.740 -12.740
  566    H    THR  64            HN      THR  64 -16.494 -14.922 -14.922
  567    HA   THR  64            HA      THR  64 -18.603 -16.237 -16.237
  568    HB   THR  64            HB      THR  64 -17.519 -17.563 -17.563
  569    HG1  THR  64           HG1      THR  64 -16.237 -17.552 -17.552
  570   1HG2  THR  64          HG21      THR  64 -18.740 -18.338 -18.338
  571   2HG2  THR  64          HG23      THR  64 -17.775 -19.515 -19.515
  572   3HG2  THR  64          HG22      THR  64 -19.215 -18.813 -18.813
  573    H    ASP  65            HN      ASP  65 -20.384 -17.192 -17.192
  574    HA   ASP  65            HA      ASP  65 -21.520 -14.986 -14.986
  575   1HB   ASP  65           HB2      ASP  65 -22.316 -17.810 -17.810
  576   2HB   ASP  65           HB1      ASP  65 -23.139 -16.968 -16.968
  577   1H    SER   1           HT2      SER   1 -15.168 -15.635 -15.635
  578   2H    SER   1           HT1      SER   1 -16.506 -15.044 -15.044
  579   3H    SER   1           HT3      SER   1 -16.566 -16.585 -16.585
  580    HA   SER   1            HA      SER   1 -17.031 -15.833 -15.833
  581   1HB   SER   1           HB2      SER   1 -17.728 -13.145 -13.145
  582   2HB   SER   1           HB1      SER   1 -18.711 -14.294 -14.294
  583    HG   SER   1            HG      SER   1 -19.174 -13.907 -13.907
  584    HA   PRO   2            HA      PRO   2 -14.355 -11.977 -11.977
  585   1HB   PRO   2           HB2      PRO   2 -12.870 -10.884 -10.884
  586   2HB   PRO   2           HB1      PRO   2 -14.516 -10.364 -10.364
  587   1HG   PRO   2           HG2      PRO   2 -13.578 -12.012 -12.012
  588   2HG   PRO   2           HG1      PRO   2 -15.019 -10.988 -10.988
  589   1HD   PRO   2           HD2      PRO   2 -14.947 -13.819 -13.819
  590   2HD   PRO   2           HD1      PRO   2 -16.316 -12.768 -12.768
  591    H    LEU   3            HN      LEU   3 -12.651 -12.800 -12.800
  592    HA   LEU   3            HA      LEU   3 -10.452 -14.159 -14.159
  593   1HB   LEU   3           HB2      LEU   3 -12.042 -15.640 -15.640
  594   2HB   LEU   3           HB1      LEU   3 -11.190 -14.926 -14.926
  595    HG   LEU   3            HG      LEU   3  -9.510 -15.970 -15.970
  596   1HD1  LEU   3          HD13      LEU   3 -11.450 -17.638 -17.638
  597   2HD1  LEU   3          HD12      LEU   3 -10.557 -17.895 -17.895
  598   3HD1  LEU   3          HD11      LEU   3  -9.794 -18.240 -18.240
  599   1HD2  LEU   3          HD21      LEU   3  -9.397 -15.608 -15.608
  600   2HD2  LEU   3          HD23      LEU   3  -8.195 -15.200 -15.200
  601   3HD2  LEU   3          HD22      LEU   3  -8.399 -16.876 -16.876
  602    H    LEU   4            HN      LEU   4  -9.963 -11.623 -11.623
  603    HA   LEU   4            HA      LEU   4  -8.491 -11.216 -11.216
  604   1HB   LEU   4           HB2      LEU   4 -10.149  -9.464  -9.464
  605   2HB   LEU   4           HB1      LEU   4  -8.595  -8.740  -8.740
  606    HG   LEU   4            HG      LEU   4 -10.280  -8.169  -8.169
  607   1HD1  LEU   4          HD12      LEU   4  -7.793  -8.801  -8.801
  608   2HD1  LEU   4          HD11      LEU   4  -8.510 -10.206 -10.206
  609   3HD1  LEU   4          HD13      LEU   4  -8.933  -8.582  -8.582
  610   1HD2  LEU   4          HD21      LEU   4 -10.801 -11.078 -11.078
  611   2HD2  LEU   4          HD23      LEU   4 -11.892  -9.763  -9.763
  612   3HD2  LEU   4          HD22      LEU   4 -10.792 -10.428 -10.428
  613    HA   PRO   5            HA      PRO   5  -4.888 -11.420 -11.420
  614   1HB   PRO   5           HB2      PRO   5  -2.979 -10.980 -10.980
  615   2HB   PRO   5           HB1      PRO   5  -3.772 -12.544 -12.544
  616   1HG   PRO   5           HG2      PRO   5  -4.195 -10.560 -10.560
  617   2HG   PRO   5           HG1      PRO   5  -4.478 -12.306 -12.306
  618   1HD   PRO   5           HD2      PRO   5  -6.459 -10.286 -10.286
  619   2HD   PRO   5           HD1      PRO   5  -6.686 -12.028 -12.028
  620    H    LYS   6            HN      LYS   6  -2.579  -9.816  -9.816
  621    HA   LYS   6            HA      LYS   6  -3.641  -7.028  -7.028
  622   1HB   LYS   6           HB2      LYS   6  -2.725  -8.440  -8.440
  623   2HB   LYS   6           HB1      LYS   6  -1.573  -7.152  -7.152
  624   1HG   LYS   6           HG2      LYS   6  -3.143  -6.022  -6.022
  625   2HG   LYS   6           HG1      LYS   6  -3.741  -5.691  -5.691
  626   1HD   LYS   6           HD2      LYS   6  -5.209  -7.754  -7.754
  627   2HD   LYS   6           HD1      LYS   6  -4.756  -7.771  -7.771
  628   1HE   LYS   6           HE2      LYS   6  -5.722  -5.597  -5.597
  629   2HE   LYS   6           HE1      LYS   6  -5.961  -5.354  -5.354
  630   1HZ   LYS   6           HZ3      LYS   6  -7.273  -7.460  -7.460
  631   2HZ   LYS   6           HZ2      LYS   6  -8.009  -6.015  -6.015
  632   3HZ   LYS   6           HZ1      LYS   6  -7.527  -7.177  -7.177
  633    H    LEU   7            HN      LEU   7  -2.003  -8.671  -8.671
  634    HA   LEU   7            HA      LEU   7  -0.126  -8.351  -8.351
  635   1HB   LEU   7           HB2      LEU   7  -0.780  -5.667  -5.667
  636   2HB   LEU   7           HB1      LEU   7   0.841  -5.843  -5.843
  637    HG   LEU   7            HG      LEU   7  -0.750  -5.092  -5.092
  638   1HD1  LEU   7          HD11      LEU   7   0.919  -7.448  -7.448
  639   2HD1  LEU   7          HD13      LEU   7  -0.460  -7.636  -7.636
  640   3HD1  LEU   7          HD12      LEU   7   0.602  -6.239  -6.239
  641   1HD2  LEU   7          HD21      LEU   7  -2.611  -6.589  -6.589
  642   2HD2  LEU   7          HD23      LEU   7  -2.758  -6.129  -6.129
  643   3HD2  LEU   7          HD22      LEU   7  -2.149  -7.727  -7.727
  644    HA   PRO   8            HA      PRO   8   2.772  -9.261  -9.261
  645   1HB   PRO   8           HB2      PRO   8   4.107 -11.282 -11.282
  646   2HB   PRO   8           HB1      PRO   8   2.666 -11.501 -11.501
  647   1HG   PRO   8           HG2      PRO   8   2.894 -11.524 -11.524
  648   2HG   PRO   8           HG1      PRO   8   1.704 -12.320 -12.320
  649   1HD   PRO   8           HD2      PRO   8   1.258  -9.944  -9.944
  650   2HD   PRO   8           HD1      PRO   8   0.246 -10.547 -10.547
  651    HA   PRO   9            HA      PRO   9   6.495  -8.148  -8.148
  652   1HB   PRO   9           HB2      PRO   9   5.961  -6.980  -6.980
  653   2HB   PRO   9           HB1      PRO   9   6.243  -8.718  -8.718
  654   1HG   PRO   9           HG2      PRO   9   3.669  -7.279  -7.279
  655   2HG   PRO   9           HG1      PRO   9   4.119  -8.942  -8.942
  656   1HD   PRO   9           HD2      PRO   9   2.519  -8.179  -8.179
  657   2HD   PRO   9           HD1      PRO   9   3.287  -9.756  -9.756
  658    H    LYS  10            HN      LYS  10   7.165  -6.332  -6.332
  659    HA   LYS  10            HA      LYS  10   5.560  -3.825  -3.825
  660   1HB   LYS  10           HB2      LYS  10   7.115  -4.944  -4.944
  661   2HB   LYS  10           HB1      LYS  10   6.794  -3.213  -3.213
  662   1HG   LYS  10           HG2      LYS  10   4.574  -5.231  -5.231
  663   2HG   LYS  10           HG1      LYS  10   5.078  -4.664  -4.664
  664   1HD   LYS  10           HD2      LYS  10   4.390  -2.744  -2.744
  665   2HD   LYS  10           HD1      LYS  10   3.163  -3.372  -3.372
  666   1HE   LYS  10           HE2      LYS  10   5.621  -2.316  -2.316
  667   2HE   LYS  10           HE1      LYS  10   4.591  -1.119  -1.119
  668   1HZ   LYS  10           HZ2      LYS  10   3.577  -3.152  -3.152
  669   2HZ   LYS  10           HZ1      LYS  10   4.038  -1.582  -1.582
  670   3HZ   LYS  10           HZ3      LYS  10   2.745  -1.804  -1.804
  671    H    THR  11            HN      THR  11   8.639  -5.300  -5.300
  672    HA   THR  11            HA      THR  11  10.633  -4.486  -4.486
  673    HB   THR  11            HB      THR  11  10.523  -2.732  -2.732
  674    HG1  THR  11           HG1      THR  11   9.824  -0.903  -0.903
  675   1HG2  THR  11          HG23      THR  11   8.744  -4.574  -4.574
  676   2HG2  THR  11          HG22      THR  11   7.578  -3.353  -3.353
  677   3HG2  THR  11          HG21      THR  11   8.555  -3.093  -3.093
  678    H    TYR  12            HN      TYR  12  12.400  -3.035  -3.035
  679    HA   TYR  12            HA      TYR  12  12.183  -0.819  -0.819
  680   1HB   TYR  12           HB2      TYR  12  11.509  -2.672  -2.672
  681   2HB   TYR  12           HB1      TYR  12  13.098  -3.396  -3.396
  682    HD1  TYR  12           HD2      TYR  12  11.569  -0.077  -0.077
  683    HD2  TYR  12           HD1      TYR  12  14.807  -2.831  -2.831
  684    HE1  TYR  12           HE2      TYR  12  12.529   1.434   1.434
  685    HE2  TYR  12           HE1      TYR  12  15.767  -1.321  -1.321
  686    HH   TYR  12            HH      TYR  12  15.036   0.456   0.456
  687    H    LYS  13            HN      LYS  13  13.608  -1.421  -1.421
  688    HA   LYS  13            HA      LYS  13  16.427  -1.801  -1.801
  689   1HB   LYS  13           HB2      LYS  13  14.968  -1.959  -1.959
  690   2HB   LYS  13           HB1      LYS  13  16.690  -1.578  -1.578
  691   1HG   LYS  13           HG2      LYS  13  16.176  -3.773  -3.773
  692   2HG   LYS  13           HG1      LYS  13  15.511  -4.140  -4.140
  693   1HD   LYS  13           HD2      LYS  13  18.232  -2.937  -2.937
  694   2HD   LYS  13           HD1      LYS  13  18.092  -4.596  -4.596
  695   1HE   LYS  13           HE2      LYS  13  17.113  -5.328  -5.328
  696   2HE   LYS  13           HE1      LYS  13  16.930  -3.668  -3.668
  697   1HZ   LYS  13           HZ2      LYS  13  19.539  -4.951  -4.951
  698   2HZ   LYS  13           HZ1      LYS  13  18.870  -4.834  -4.834
  699   3HZ   LYS  13           HZ3      LYS  13  19.292  -3.427  -3.427
  700    H    ARG  14            HN      ARG  14  18.056  -0.256  -0.256
  701    HA   ARG  14            HA      ARG  14  17.090   2.512   2.512
  702   1HB   ARG  14           HB2      ARG  14  19.205   1.673   1.673
  703   2HB   ARG  14           HB1      ARG  14  19.916   1.547   1.547
  704   1HG   ARG  14           HG2      ARG  14  19.123   4.037   4.037
  705   2HG   ARG  14           HG1      ARG  14  19.098   4.009   4.009
  706   1HD   ARG  14           HD2      ARG  14  21.445   3.304   3.304
  707   2HD   ARG  14           HD1      ARG  14  21.482   3.247   3.247
  708    HE   ARG  14            HE      ARG  14  20.686   5.856   5.856
  709   1HH1  ARG  14          HH11      ARG  14  22.075   6.132   6.132
  710   2HH1  ARG  14          HH12      ARG  14  23.738   6.362   6.362
  711   1HH2  ARG  14          HH21      ARG  14  23.365   5.119   5.119
  712   2HH2  ARG  14          HH22      ARG  14  24.469   5.787   5.787
  713    H    GLU  15            HN      GLU  15  15.963   2.947   2.947
  714    HA   GLU  15            HA      GLU  15  17.629   2.896   2.896
  715   1HB   GLU  15           HB2      GLU  15  15.015   1.828   1.828
  716   2HB   GLU  15           HB1      GLU  15  14.834   3.167   3.167
  717   1HG   GLU  15           HG2      GLU  15  15.318   1.499   1.499
  718   2HG   GLU  15           HG1      GLU  15  16.968   1.985   1.985

  Start of MODEL   16
    1   1H    GLY  -8           HT1      GLY  -8  10.894  -8.241  -8.241
    2   2H    GLY  -8           HT3      GLY  -8  10.390  -9.493  -9.493
    3   3H    GLY  -8           HT2      GLY  -8   9.248  -8.645  -8.645
    4   1HA   GLY  -8           HA1      GLY  -8   9.102  -7.377  -7.377
    5   2HA   GLY  -8           HA2      GLY  -8  10.485  -8.029  -8.029
    6    H    SER  -7            HN      SER  -7   9.065  -6.268  -6.268
    7    HA   SER  -7            HA      SER  -7  10.048  -3.658  -3.658
    8   1HB   SER  -7           HB2      SER  -7  10.523  -2.968  -2.968
    9   2HB   SER  -7           HB1      SER  -7  11.460  -4.393  -4.393
   10    HG   SER  -7            HG      SER  -7  10.238  -5.605  -5.605
   11    H    ARG  -6            HN      ARG  -6   8.864  -1.788  -1.788
   12    HA   ARG  -6            HA      ARG  -6   6.025  -2.554  -2.554
   13   1HB   ARG  -6           HB2      ARG  -6   7.111  -0.630  -0.630
   14   2HB   ARG  -6           HB1      ARG  -6   5.619  -0.194  -0.194
   15   1HG   ARG  -6           HG2      ARG  -6   4.576  -2.294  -2.294
   16   2HG   ARG  -6           HG1      ARG  -6   6.082  -2.818  -2.818
   17   1HD   ARG  -6           HD2      ARG  -6   4.629  -1.938  -1.938
   18   2HD   ARG  -6           HD1      ARG  -6   5.959  -0.805  -0.805
   19    HE   ARG  -6            HE      ARG  -6   3.396  -0.312  -0.312
   20   1HH1  ARG  -6          HH21      ARG  -6   4.303   2.055   2.055
   21   2HH1  ARG  -6          HH22      ARG  -6   4.351   2.978   2.978
   22   1HH2  ARG  -6          HH11      ARG  -6   4.082   0.208   0.208
   23   2HH2  ARG  -6          HH12      ARG  -6   4.225   1.933   1.933
   24    H    ARG  -5            HN      ARG  -5   6.654  -2.279  -2.279
   25    HA   ARG  -5            HA      ARG  -5   6.846   0.608   0.608
   26   1HB   ARG  -5           HB2      ARG  -5   8.055  -1.739  -1.739
   27   2HB   ARG  -5           HB1      ARG  -5   8.221  -0.031  -0.031
   28   1HG   ARG  -5           HG2      ARG  -5   9.310   0.331   0.331
   29   2HG   ARG  -5           HG1      ARG  -5   9.277  -1.415  -1.415
   30   1HD   ARG  -5           HD2      ARG  -5  11.398  -1.146  -1.146
   31   2HD   ARG  -5           HD1      ARG  -5  10.445  -1.459  -1.459
   32    HE   ARG  -5            HE      ARG  -5  10.534   1.369   1.369
   33   1HH1  ARG  -5          HH11      ARG  -5  10.723   0.759   0.759
   34   2HH1  ARG  -5          HH12      ARG  -5  12.414   0.819   0.819
   35   1HH2  ARG  -5          HH21      ARG  -5  13.423   0.563   0.563
   36   2HH2  ARG  -5          HH22      ARG  -5  13.942   0.709   0.709
   37    H    ALA  -4            HN      ALA  -4   4.483  -1.180  -1.180
   38    HA   ALA  -4            HA      ALA  -4   3.505  -1.165  -1.165
   39   1HB   ALA  -4           HB3      ALA  -4   2.849  -3.000  -3.000
   40   2HB   ALA  -4           HB2      ALA  -4   1.824  -2.889  -2.889
   41   3HB   ALA  -4           HB1      ALA  -4   3.494  -3.436  -3.436
   42    H    SER  -3            HN      SER  -3   1.964  -1.281  -1.281
   43    HA   SER  -3            HA      SER  -3   0.821   1.372   1.372
   44   1HB   SER  -3           HB2      SER  -3  -1.531   0.672   0.672
   45   2HB   SER  -3           HB1      SER  -3  -0.581   0.186   0.186
   46    HG   SER  -3            HG      SER  -3  -0.982  -1.816  -1.816
   47    H    VAL  -2            HN      VAL  -2  -1.046   1.556   1.556
   48    HA   VAL  -2            HA      VAL  -2   0.094   0.623   0.623
   49    HB   VAL  -2            HB      VAL  -2  -1.892   1.766   1.766
   50   1HG1  VAL  -2          HG13      VAL  -2  -0.013   3.038   3.038
   51   2HG1  VAL  -2          HG12      VAL  -2  -1.350   4.032   4.032
   52   3HG1  VAL  -2          HG11      VAL  -2  -0.215   3.322   3.322
   53   1HG2  VAL  -2          HG23      VAL  -2  -3.183   1.178   1.178
   54   2HG2  VAL  -2          HG22      VAL  -2  -3.668   2.515   2.515
   55   3HG2  VAL  -2          HG21      VAL  -2  -2.669   2.822   2.822
   56    H    GLY  -1            HN      GLY  -1  -1.948  -0.137  -0.137
   57   1HA   GLY  -1           HA2      GLY  -1  -4.001  -1.772  -1.772
   58   2HA   GLY  -1           HA1      GLY  -1  -2.638  -2.798  -2.798
   59    H    SER   0            HN      SER   0  -3.978  -0.945  -0.945
   60    HA   SER   0            HA      SER   0  -2.287  -2.383  -2.383
   61   1HB   SER   0           HB2      SER   0  -3.921  -1.166  -1.166
   62   2HB   SER   0           HB1      SER   0  -2.759  -0.203  -0.203
   63    HG   SER   0            HG      SER   0  -5.419  -0.747  -0.747
   64    H    MET   1            HN      MET   1  -3.146  -3.813  -3.813
   65    HA   MET   1            HA      MET   1  -5.631  -5.207  -5.207
   66   1HB   MET   1           HB2      MET   1  -3.079  -6.149  -6.149
   67   2HB   MET   1           HB1      MET   1  -4.562  -7.004  -7.004
   68   1HG   MET   1           HG2      MET   1  -4.920  -7.772  -7.772
   69   2HG   MET   1           HG1      MET   1  -4.145  -6.381  -6.381
   70   1HE   MET   1           HE1      MET   1  -2.043  -6.108  -6.108
   71   2HE   MET   1           HE3      MET   1  -1.221  -6.062  -6.062
   72   3HE   MET   1           HE2      MET   1  -0.605  -7.090  -7.090
   73    H    GLU   2            HN      GLU   2  -6.381  -6.553  -6.553
   74    HA   GLU   2            HA      GLU   2  -6.737  -4.376  -4.376
   75   1HB   GLU   2           HB2      GLU   2  -8.672  -5.580  -5.580
   76   2HB   GLU   2           HB1      GLU   2  -8.875  -6.349  -6.349
   77   1HG   GLU   2           HG2      GLU   2  -9.344  -4.313  -4.313
   78   2HG   GLU   2           HG1      GLU   2  -8.604  -3.361  -3.361
   79    H    ALA   3            HN      ALA   3  -7.668  -5.510  -5.510
   80    HA   ALA   3            HA      ALA   3  -6.694  -8.185  -8.185
   81   1HB   ALA   3           HB2      ALA   3  -5.227  -5.785  -5.785
   82   2HB   ALA   3           HB1      ALA   3  -5.391  -7.111  -7.111
   83   3HB   ALA   3           HB3      ALA   3  -4.633  -7.398  -7.398
   84    H    ILE   4            HN      ILE   4  -8.276  -8.997  -8.997
   85    HA   ILE   4            HA      ILE   4 -10.339  -7.555  -7.555
   86    HB   ILE   4            HB      ILE   4 -10.659  -9.767  -9.767
   87   1HG1  ILE   4          HG12      ILE   4 -11.039 -10.411 -10.411
   88   2HG1  ILE   4          HG11      ILE   4 -11.632  -8.810  -8.810
   89   1HG2  ILE   4          HG22      ILE   4  -8.236 -10.382 -10.382
   90   2HG2  ILE   4          HG21      ILE   4  -9.245 -11.067 -11.067
   91   3HG2  ILE   4          HG23      ILE   4  -9.449 -11.598 -11.598
   92   1HD1  ILE   4          HD12      ILE   4 -12.238 -11.135 -11.135
   93   2HD1  ILE   4          HD11      ILE   4 -13.171 -10.895 -10.895
   94   3HD1  ILE   4          HD13      ILE   4 -13.142  -9.642  -9.642
   95    H    ALA   5            HN      ALA   5 -10.405  -6.570  -6.570
   96    HA   ALA   5            HA      ALA   5  -8.293  -6.829  -6.829
   97   1HB   ALA   5           HB2      ALA   5 -10.940  -5.401  -5.401
   98   2HB   ALA   5           HB1      ALA   5 -10.157  -5.636  -5.636
   99   3HB   ALA   5           HB3      ALA   5  -9.332  -4.735  -4.735
  100    H    LYS   6            HN      LYS   6  -8.227  -8.973  -8.973
  101    HA   LYS   6            HA      LYS   6 -10.306 -10.787 -10.787
  102   1HB   LYS   6           HB2      LYS   6  -7.771 -10.567 -10.567
  103   2HB   LYS   6           HB1      LYS   6  -8.803 -11.994 -11.994
  104   1HG   LYS   6           HG2      LYS   6  -8.373 -12.217 -12.217
  105   2HG   LYS   6           HG1      LYS   6  -7.499 -10.688 -10.688
  106   1HD   LYS   6           HD2      LYS   6  -5.869 -12.452 -12.452
  107   2HD   LYS   6           HD1      LYS   6  -5.869 -11.672 -11.672
  108   1HE   LYS   6           HE2      LYS   6  -6.746 -13.510 -13.510
  109   2HE   LYS   6           HE1      LYS   6  -7.764 -13.937 -13.937
  110   1HZ   LYS   6           HZ3      LYS   6  -5.598 -14.551 -14.551
  111   2HZ   LYS   6           HZ2      LYS   6  -4.889 -14.495 -14.495
  112   3HZ   LYS   6           HZ1      LYS   6  -6.146 -15.592 -15.592
  113    H    TYR   7            HN      TYR   7  -9.269  -8.244  -8.244
  114    HA   TYR   7            HA      TYR   7 -11.700  -8.716  -8.716
  115   1HB   TYR   7           HB2      TYR   7  -9.040  -8.579  -8.579
  116   2HB   TYR   7           HB1      TYR   7 -10.599  -9.085  -9.085
  117    HD1  TYR   7           HD1      TYR   7 -11.590 -11.296 -11.296
  118    HD2  TYR   7           HD2      TYR   7  -7.612 -10.089 -10.089
  119    HE1  TYR   7           HE1      TYR   7 -11.037 -13.641 -13.641
  120    HE2  TYR   7           HE2      TYR   7  -7.042 -12.411 -12.411
  121    HH   TYR   7            HH      TYR   7  -7.926 -14.751 -14.751
  122    H    ASP   8            HN      ASP   8 -11.366  -7.129  -7.129
  123    HA   ASP   8            HA      ASP   8 -11.311  -4.500  -4.500
  124   1HB   ASP   8           HB2      ASP   8 -12.280  -3.737  -3.737
  125   2HB   ASP   8           HB1      ASP   8 -13.038  -5.275  -5.275
  126    H    PHE   9            HN      PHE   9 -10.126  -2.699  -2.699
  127    HA   PHE   9            HA      PHE   9  -7.978  -2.928  -2.928
  128   1HB   PHE   9           HB2      PHE   9  -7.324  -4.282  -4.282
  129   2HB   PHE   9           HB1      PHE   9  -6.674  -2.679  -2.679
  130    HD1  PHE   9           HD1      PHE   9  -6.998  -4.809  -4.809
  131    HD2  PHE   9           HD2      PHE   9  -4.416  -2.518  -2.518
  132    HE1  PHE   9           HE1      PHE   9  -5.081  -5.277  -5.277
  133    HE2  PHE   9           HE2      PHE   9  -2.501  -2.973  -2.973
  134    HZ   PHE   9            HZ      PHE   9  -2.835  -4.350  -4.350
  135    H    LYS  10            HN      LYS  10  -6.311  -1.025  -1.025
  136    HA   LYS  10            HA      LYS  10  -7.635   1.214   1.214
  137   1HB   LYS  10           HB2      LYS  10  -7.701   2.681   2.681
  138   2HB   LYS  10           HB1      LYS  10  -8.295   1.158   1.158
  139   1HG   LYS  10           HG2      LYS  10  -5.445   2.189   2.189
  140   2HG   LYS  10           HG1      LYS  10  -6.653   2.193   2.193
  141   1HD   LYS  10           HD2      LYS  10  -6.808  -0.384  -0.384
  142   2HD   LYS  10           HD1      LYS  10  -5.204  -0.132  -0.132
  143   1HE   LYS  10           HE2      LYS  10  -4.662   1.070   1.070
  144   2HE   LYS  10           HE1      LYS  10  -6.103   0.260   0.260
  145   1HZ   LYS  10           HZ3      LYS  10  -4.012  -1.256  -1.256
  146   2HZ   LYS  10           HZ2      LYS  10  -3.852  -0.911  -0.911
  147   3HZ   LYS  10           HZ1      LYS  10  -5.174  -1.821  -1.821
  148    H    ALA  11            HN      ALA  11  -6.183   3.142   3.142
  149    HA   ALA  11            HA      ALA  11  -3.616   2.233   2.233
  150   1HB   ALA  11           HB2      ALA  11  -5.071   4.830   4.830
  151   2HB   ALA  11           HB1      ALA  11  -3.312   4.871   4.871
  152   3HB   ALA  11           HB3      ALA  11  -4.310   3.996   3.996
  153    H    THR  12            HN      THR  12  -1.668   2.351   2.351
  154    HA   THR  12            HA      THR  12  -1.857   3.584   3.584
  155    HB   THR  12            HB      THR  12  -1.556   1.182   1.182
  156    HG1  THR  12           HG1      THR  12   0.215   1.226   1.226
  157   1HG2  THR  12          HG23      THR  12   0.704   1.673   1.673
  158   2HG2  THR  12          HG22      THR  12   0.565   0.189   0.189
  159   3HG2  THR  12          HG21      THR  12  -0.697   0.622   0.622
  160    H    ALA  13            HN      ALA  13  -1.228   5.265   5.265
  161    HA   ALA  13            HA      ALA  13   1.193   6.496   6.496
  162   1HB   ALA  13           HB3      ALA  13   1.480   4.486   4.486
  163   2HB   ALA  13           HB2      ALA  13   2.367   6.005   6.005
  164   3HB   ALA  13           HB1      ALA  13   2.634   4.956   4.956
  165    H    ASP  14            HN      ASP  14   1.962   8.058   8.058
  166    HA   ASP  14            HA      ASP  14  -0.361   9.542   9.542
  167   1HB   ASP  14           HB2      ASP  14   1.914  10.319  10.319
  168   2HB   ASP  14           HB1      ASP  14   2.468  10.156  10.156
  169    H    ASP  15            HN      ASP  15   1.246   6.973   6.973
  170    HA   ASP  15            HA      ASP  15   0.284   7.725   7.725
  171   1HB   ASP  15           HB2      ASP  15   3.059   6.995   6.995
  172   2HB   ASP  15           HB1      ASP  15   2.445   6.390   6.390
  173    H    GLU  16            HN      GLU  16  -0.700   5.935   5.935
  174    HA   GLU  16            HA      GLU  16  -0.370   3.280   3.280
  175   1HB   GLU  16           HB2      GLU  16  -0.083   3.801   3.801
  176   2HB   GLU  16           HB1      GLU  16  -1.830   3.651   3.651
  177   1HG   GLU  16           HG2      GLU  16  -1.679   1.421   1.421
  178   2HG   GLU  16           HG1      GLU  16  -0.760   1.508   1.508
  179    H    LEU  17            HN      LEU  17  -2.558   1.953   1.953
  180    HA   LEU  17            HA      LEU  17  -4.750   3.721   3.721
  181   1HB   LEU  17           HB2      LEU  17  -3.401   1.768   1.768
  182   2HB   LEU  17           HB1      LEU  17  -4.904   0.981   0.981
  183    HG   LEU  17            HG      LEU  17  -4.848   3.738   3.738
  184   1HD1  LEU  17          HD11      LEU  17  -4.817   1.005   1.005
  185   2HD1  LEU  17          HD13      LEU  17  -5.637   2.354   2.354
  186   3HD1  LEU  17          HD12      LEU  17  -3.911   2.451   2.451
  187   1HD2  LEU  17          HD23      LEU  17  -6.881   2.999   2.999
  188   2HD2  LEU  17          HD22      LEU  17  -7.195   3.239   3.239
  189   3HD2  LEU  17          HD21      LEU  17  -7.000   1.608   1.608
  190    H    SER  18            HN      SER  18  -6.691   3.541   3.541
  191    HA   SER  18            HA      SER  18  -7.084   1.504   1.504
  192   1HB   SER  18           HB2      SER  18  -8.935   2.977   2.977
  193   2HB   SER  18           HB1      SER  18  -7.467   3.885   3.885
  194    HG   SER  18            HG      SER  18  -9.694   3.868   3.868
  195    H    PHE  19            HN      PHE  19  -9.130   0.260   0.260
  196    HA   PHE  19            HA      PHE  19 -11.008   0.397   0.397
  197   1HB   PHE  19           HB2      PHE  19 -10.347  -1.615  -1.615
  198   2HB   PHE  19           HB1      PHE  19  -9.127  -0.350  -0.350
  199    HD1  PHE  19           HD1      PHE  19 -10.016  -3.501  -3.501
  200    HD2  PHE  19           HD2      PHE  19  -6.907  -0.716  -0.716
  201    HE1  PHE  19           HE1      PHE  19  -8.314  -5.073  -5.073
  202    HE2  PHE  19           HE2      PHE  19  -5.208  -2.286  -2.286
  203    HZ   PHE  19            HZ      PHE  19  -5.912  -4.467  -4.467
  204    H    LYS  20            HN      LYS  20 -12.395  -1.659  -1.659
  205    HA   LYS  20            HA      LYS  20 -12.432  -2.930  -2.930
  206   1HB   LYS  20           HB2      LYS  20 -14.752  -2.362  -2.362
  207   2HB   LYS  20           HB1      LYS  20 -14.858  -3.050  -3.050
  208   1HG   LYS  20           HG2      LYS  20 -13.575  -0.380  -0.380
  209   2HG   LYS  20           HG1      LYS  20 -15.298  -0.543  -0.543
  210   1HD   LYS  20           HD2      LYS  20 -14.962  -1.129  -1.129
  211   2HD   LYS  20           HD1      LYS  20 -13.425  -1.926  -1.926
  212   1HE   LYS  20           HE2      LYS  20 -12.929   0.075   0.075
  213   2HE   LYS  20           HE1      LYS  20 -12.434   0.359   0.359
  214   1HZ   LYS  20           HZ3      LYS  20 -15.088   1.149   1.149
  215   2HZ   LYS  20           HZ2      LYS  20 -13.744   2.189   2.189
  216   3HZ   LYS  20           HZ1      LYS  20 -14.375   1.613   1.613
  217    H    ARG  21            HN      ARG  21 -14.003  -4.963  -4.963
  218    HA   ARG  21            HA      ARG  21 -12.588  -6.863  -6.863
  219   1HB   ARG  21           HB2      ARG  21 -13.712  -7.290  -7.290
  220   2HB   ARG  21           HB1      ARG  21 -15.258  -7.204  -7.204
  221   1HG   ARG  21           HG2      ARG  21 -14.875  -9.172  -9.172
  222   2HG   ARG  21           HG1      ARG  21 -13.120  -9.014  -9.014
  223   1HD   ARG  21           HD2      ARG  21 -13.041 -10.123 -10.123
  224   2HD   ARG  21           HD1      ARG  21 -14.375  -9.184  -9.184
  225    HE   ARG  21            HE      ARG  21 -15.042 -11.336 -11.336
  226   1HH1  ARG  21          HH11      ARG  21 -16.850  -9.795  -9.795
  227   2HH1  ARG  21          HH12      ARG  21 -17.157 -11.050 -11.050
  228   1HH2  ARG  21          HH21      ARG  21 -14.609 -13.099 -13.099
  229   2HH2  ARG  21          HH22      ARG  21 -15.887 -12.919 -12.919
  230    H    GLY  22            HN      GLY  22 -12.849  -6.664  -6.664
  231   1HA   GLY  22           HA2      GLY  22 -14.385  -7.472  -7.472
  232   2HA   GLY  22           HA1      GLY  22 -15.649  -6.519  -6.519
  233    H    ASP  23            HN      ASP  23 -13.054  -4.579  -4.579
  234    HA   ASP  23            HA      ASP  23 -13.759  -2.918  -2.918
  235   1HB   ASP  23           HB2      ASP  23 -12.318  -2.701  -2.701
  236   2HB   ASP  23           HB1      ASP  23 -11.593  -1.794  -1.794
  237    H    ILE  24            HN      ILE  24 -12.991  -4.210  -4.210
  238    HA   ILE  24            HA      ILE  24 -10.258  -5.140  -5.140
  239    HB   ILE  24            HB      ILE  24 -11.912  -4.632  -4.632
  240   1HG1  ILE  24          HG12      ILE  24 -12.181  -6.818  -6.818
  241   2HG1  ILE  24          HG11      ILE  24 -13.456  -5.807  -5.807
  242   1HG2  ILE  24          HG22      ILE  24  -9.373  -5.499  -5.499
  243   2HG2  ILE  24          HG21      ILE  24 -10.205  -7.036  -7.036
  244   3HG2  ILE  24          HG23      ILE  24 -10.410  -6.085  -6.085
  245   1HD1  ILE  24          HD13      ILE  24 -12.455  -7.047  -7.047
  246   2HD1  ILE  24          HD12      ILE  24 -12.316  -8.308  -8.308
  247   3HD1  ILE  24          HD11      ILE  24 -13.883  -7.571  -7.571
  248    H    LEU  25            HN      LEU  25  -8.527  -4.000  -4.000
  249    HA   LEU  25            HA      LEU  25  -8.733  -1.161  -1.161
  250   1HB   LEU  25           HB2      LEU  25  -6.307  -2.793  -2.793
  251   2HB   LEU  25           HB1      LEU  25  -6.437  -1.033  -1.033
  252    HG   LEU  25            HG      LEU  25  -8.570  -1.617  -1.617
  253   1HD1  LEU  25          HD11      LEU  25  -6.730  -3.967  -3.967
  254   2HD1  LEU  25          HD13      LEU  25  -7.423  -3.390  -3.390
  255   3HD1  LEU  25          HD12      LEU  25  -8.483  -3.907  -3.907
  256   1HD2  LEU  25          HD21      LEU  25  -5.677  -1.389  -1.389
  257   2HD2  LEU  25          HD23      LEU  25  -6.804  -0.059  -0.059
  258   3HD2  LEU  25          HD22      LEU  25  -7.060  -1.180  -1.180
  259    H    LYS  26            HN      LYS  26  -6.952  -0.258  -0.258
  260    HA   LYS  26            HA      LYS  26  -6.718  -2.064  -2.064
  261   1HB   LYS  26           HB2      LYS  26  -7.943   0.331   0.331
  262   2HB   LYS  26           HB1      LYS  26  -6.297   0.878   0.878
  263   1HG   LYS  26           HG2      LYS  26  -6.158  -0.583  -0.583
  264   2HG   LYS  26           HG1      LYS  26  -7.768  -1.220  -1.220
  265   1HD   LYS  26           HD2      LYS  26  -7.204   1.714   1.714
  266   2HD   LYS  26           HD1      LYS  26  -7.717   0.589   0.589
  267   1HE   LYS  26           HE2      LYS  26  -9.249   1.269   1.269
  268   2HE   LYS  26           HE1      LYS  26  -9.671   1.759   1.759
  269   1HZ   LYS  26           HZ3      LYS  26  -9.575  -0.791  -0.791
  270   2HZ   LYS  26           HZ2      LYS  26  -9.832  -0.893  -0.893
  271   3HZ   LYS  26           HZ1      LYS  26 -10.960  -0.096  -0.096
  272    H    VAL  27            HN      VAL  27  -4.668  -2.991  -2.991
  273    HA   VAL  27            HA      VAL  27  -2.444  -1.717  -1.717
  274    HB   VAL  27            HB      VAL  27  -2.350  -3.872  -3.872
  275   1HG1  VAL  27          HG11      VAL  27  -0.254  -2.431  -2.431
  276   2HG1  VAL  27          HG13      VAL  27  -0.355  -3.758  -3.758
  277   3HG1  VAL  27          HG12      VAL  27  -0.121  -4.101  -4.101
  278   1HG2  VAL  27          HG21      VAL  27  -3.784  -4.215  -4.215
  279   2HG2  VAL  27          HG23      VAL  27  -2.616  -5.462  -5.462
  280   3HG2  VAL  27          HG22      VAL  27  -2.230  -4.292  -4.292
  281    H    LEU  28            HN      LEU  28  -1.664   0.162   0.162
  282    HA   LEU  28            HA      LEU  28  -1.577   0.933   0.933
  283   1HB   LEU  28           HB2      LEU  28  -0.242   2.560   2.560
  284   2HB   LEU  28           HB1      LEU  28  -1.093   3.109   3.109
  285    HG   LEU  28            HG      LEU  28  -2.914   1.725   1.725
  286   1HD1  LEU  28          HD11      LEU  28  -1.249   4.001   4.001
  287   2HD1  LEU  28          HD13      LEU  28  -2.837   3.595   3.595
  288   3HD1  LEU  28          HD12      LEU  28  -1.527   2.420   2.420
  289   1HD2  LEU  28          HD22      LEU  28  -2.991   3.752   3.752
  290   2HD2  LEU  28          HD21      LEU  28  -4.315   3.316   3.316
  291   3HD2  LEU  28          HD23      LEU  28  -3.217   4.623   4.623
  292    H    ASN  29            HN      ASN  29   0.531  -0.112  -0.112
  293    HA   ASN  29            HA      ASN  29   2.671  -0.609  -0.609
  294   1HB   ASN  29           HB2      ASN  29   2.698   1.845   1.845
  295   2HB   ASN  29           HB1      ASN  29   3.641   0.925   0.925
  296   1HD2  ASN  29          HD22      ASN  29   6.293   1.879   1.879
  297   2HD2  ASN  29          HD21      ASN  29   5.462   2.387   2.387
  298    H    GLU  30            HN      GLU  30   3.951  -2.307  -2.307
  299    HA   GLU  30            HA      GLU  30   3.480  -3.467  -3.467
  300   1HB   GLU  30           HB2      GLU  30   4.650  -4.817  -4.817
  301   2HB   GLU  30           HB1      GLU  30   4.185  -5.603  -5.603
  302   1HG   GLU  30           HG2      GLU  30   1.890  -5.315  -5.315
  303   2HG   GLU  30           HG1      GLU  30   2.165  -4.017  -4.017
  304    H    GLU  31            HN      GLU  31   5.077  -1.374  -1.374
  305    HA   GLU  31            HA      GLU  31   7.893  -2.368  -2.368
  306   1HB   GLU  31           HB2      GLU  31   6.798   0.453   0.453
  307   2HB   GLU  31           HB1      GLU  31   8.509   0.028   0.028
  308   1HG   GLU  31           HG2      GLU  31   6.569  -0.774  -0.774
  309   2HG   GLU  31           HG1      GLU  31   7.506   0.721   0.721
  310    H    CYS  32            HN      CYS  32   9.108  -0.881  -0.881
  311    HA   CYS  32            HA      CYS  32   9.510  -0.691  -0.691
  312   1HB   CYS  32           HB2      CYS  32   6.493  -0.831  -0.831
  313   2HB   CYS  32           HB1      CYS  32   7.638  -0.175  -0.175
  314    HG   CYS  32            HG      CYS  32   8.039   1.357   1.357
  315    H    ASP  33            HN      ASP  33   8.307  -1.907  -1.907
  316    HA   ASP  33            HA      ASP  33   9.377  -4.370  -4.370
  317   1HB   ASP  33           HB2      ASP  33   7.855  -2.943  -2.943
  318   2HB   ASP  33           HB1      ASP  33   6.649  -4.102  -4.102
  319    H    GLN  34            HN      GLN  34   8.706  -6.520  -6.520
  320    HA   GLN  34            HA      GLN  34   6.907  -6.961  -6.961
  321   1HB   GLN  34           HB2      GLN  34   9.309  -8.044  -8.044
  322   2HB   GLN  34           HB1      GLN  34   8.329  -9.222  -9.222
  323   1HG   GLN  34           HG2      GLN  34   7.677 -10.176 -10.176
  324   2HG   GLN  34           HG1      GLN  34   7.056  -8.635  -8.635
  325   1HE2  GLN  34          HE22      GLN  34  10.966  -9.559  -9.559
  326   2HE2  GLN  34          HE21      GLN  34  10.333 -10.081 -10.081
  327    H    ASN  35            HN      ASN  35   6.103  -6.323  -6.323
  328    HA   ASN  35            HA      ASN  35   4.373  -8.676  -8.676
  329   1HB   ASN  35           HB2      ASN  35   5.638  -6.821  -6.821
  330   2HB   ASN  35           HB1      ASN  35   4.279  -7.871  -7.871
  331   1HD2  ASN  35          HD22      ASN  35   6.332 -10.873 -10.873
  332   2HD2  ASN  35          HD21      ASN  35   4.843 -10.249 -10.249
  333    H    TRP  36            HN      TRP  36   4.512  -5.245  -5.245
  334    HA   TRP  36            HA      TRP  36   1.519  -5.211  -5.211
  335   1HB   TRP  36           HB2      TRP  36   3.332  -2.830  -2.830
  336   2HB   TRP  36           HB1      TRP  36   1.579  -2.882  -2.882
  337    HD1  TRP  36           HD1      TRP  36   4.399  -5.255  -5.255
  338    HE1  TRP  36           HE1      TRP  36   4.096  -5.496  -5.496
  339    HE3  TRP  36           HE3      TRP  36   0.333  -2.167  -2.167
  340    HZ2  TRP  36           HZ2      TRP  36   2.471  -4.522  -4.522
  341    HZ3  TRP  36           HZ3      TRP  36  -0.499  -1.836  -1.836
  342    HH2  TRP  36           HH2      TRP  36   0.546  -3.016  -3.016
  343    H    TYR  37            HN      TYR  37   0.432  -4.244  -4.244
  344    HA   TYR  37            HA      TYR  37   2.105  -3.631  -3.631
  345   1HB   TYR  37           HB2      TYR  37  -0.879  -4.075  -4.075
  346   2HB   TYR  37           HB1      TYR  37  -0.038  -3.770  -3.770
  347    HD1  TYR  37           HD2      TYR  37   2.333  -5.440  -5.440
  348    HD2  TYR  37           HD1      TYR  37  -1.643  -6.230  -6.230
  349    HE1  TYR  37           HE2      TYR  37   2.713  -7.876  -7.876
  350    HE2  TYR  37           HE1      TYR  37  -1.278  -8.653  -8.653
  351    HH   TYR  37            HH      TYR  37   1.849  -9.978  -9.978
  352    H    LYS  38            HN      LYS  38   1.632  -1.757  -1.757
  353    HA   LYS  38            HA      LYS  38   0.473   0.521   0.521
  354   1HB   LYS  38           HB2      LYS  38   2.687   0.802   0.802
  355   2HB   LYS  38           HB1      LYS  38   1.815   0.557   0.557
  356   1HG   LYS  38           HG2      LYS  38   0.247   2.441   2.441
  357   2HG   LYS  38           HG1      LYS  38   1.854   2.898   2.898
  358   1HD   LYS  38           HD2      LYS  38   2.117   2.294   2.294
  359   2HD   LYS  38           HD1      LYS  38   0.673   3.297   3.297
  360   1HE   LYS  38           HE2      LYS  38   2.101   4.824   4.824
  361   2HE   LYS  38           HE1      LYS  38   3.491   3.938   3.938
  362   1HZ   LYS  38           HZ3      LYS  38   2.431   4.459   4.459
  363   2HZ   LYS  38           HZ2      LYS  38   1.600   5.680   5.680
  364   3HZ   LYS  38           HZ1      LYS  38   3.299   5.677   5.677
  365    H    ALA  39            HN      ALA  39  -1.600   1.192   1.192
  366    HA   ALA  39            HA      ALA  39  -2.740   0.631   0.631
  367   1HB   ALA  39           HB1      ALA  39  -2.918  -1.536  -1.536
  368   2HB   ALA  39           HB3      ALA  39  -3.836  -0.745  -0.745
  369   3HB   ALA  39           HB2      ALA  39  -4.502  -0.836  -0.836
  370    H    GLU  40            HN      GLU  40  -5.295   0.905   0.905
  371    HA   GLU  40            HA      GLU  40  -5.741   3.211   3.211
  372   1HB   GLU  40           HB2      GLU  40  -5.382   4.748   4.748
  373   2HB   GLU  40           HB1      GLU  40  -4.735   3.474   3.474
  374   1HG   GLU  40           HG2      GLU  40  -6.947   3.153   3.153
  375   2HG   GLU  40           HG1      GLU  40  -7.662   4.323   4.323
  376    H    LEU  41            HN      LEU  41  -7.677   3.379   3.379
  377    HA   LEU  41            HA      LEU  41  -9.785   1.657   1.657
  378   1HB   LEU  41           HB2      LEU  41  -9.269   2.674   2.674
  379   2HB   LEU  41           HB1      LEU  41 -10.958   2.442   2.442
  380    HG   LEU  41            HG      LEU  41  -8.933   0.340   0.340
  381   1HD1  LEU  41          HD11      LEU  41 -10.234   0.982   0.982
  382   2HD1  LEU  41          HD13      LEU  41  -9.834  -0.686  -0.686
  383   3HD1  LEU  41          HD12      LEU  41  -8.560   0.530   0.530
  384   1HD2  LEU  41          HD23      LEU  41 -11.275   0.402   0.402
  385   2HD2  LEU  41          HD22      LEU  41 -10.886  -1.062  -1.062
  386   3HD2  LEU  41          HD21      LEU  41 -11.869   0.203   0.203
  387    H    ASN  42            HN      ASN  42 -10.550   2.700   2.700
  388    HA   ASN  42            HA      ASN  42 -11.708   4.337   4.337
  389   1HB   ASN  42           HB2      ASN  42 -13.039   3.849   3.849
  390   2HB   ASN  42           HB1      ASN  42 -13.647   5.187   5.187
  391   1HD2  ASN  42          HD22      ASN  42 -14.596   2.963   2.963
  392   2HD2  ASN  42          HD21      ASN  42 -13.872   4.478   4.478
  393    H    GLY  43            HN      GLY  43  -9.462   5.544   5.544
  394   1HA   GLY  43           HA2      GLY  43  -9.393   8.148   8.148
  395   2HA   GLY  43           HA1      GLY  43 -10.580   8.202   8.202
  396    H    LYS  44            HN      LYS  44  -9.291   6.147   6.147
  397    HA   LYS  44            HA      LYS  44  -7.166   7.765   7.765
  398   1HB   LYS  44           HB2      LYS  44  -8.837   5.481   5.481
  399   2HB   LYS  44           HB1      LYS  44  -7.229   5.719   5.719
  400   1HG   LYS  44           HG2      LYS  44  -8.239   7.177   7.177
  401   2HG   LYS  44           HG1      LYS  44  -8.181   8.274   8.274
  402   1HD   LYS  44           HD2      LYS  44 -10.488   6.373   6.373
  403   2HD   LYS  44           HD1      LYS  44 -10.470   8.048   8.048
  404   1HE   LYS  44           HE2      LYS  44  -9.829   8.478   8.478
  405   2HE   LYS  44           HE1      LYS  44 -10.721   6.971   6.971
  406   1HZ   LYS  44           HZ3      LYS  44 -11.729   9.380   9.380
  407   2HZ   LYS  44           HZ2      LYS  44 -12.165   8.910   8.910
  408   3HZ   LYS  44           HZ1      LYS  44 -12.585   7.938   7.938
  409    H    ASP  45            HN      ASP  45  -5.294   6.429   6.429
  410    HA   ASP  45            HA      ASP  45  -4.625   4.143   4.143
  411   1HB   ASP  45           HB2      ASP  45  -3.357   4.997   4.997
  412   2HB   ASP  45           HB1      ASP  45  -4.478   6.325   6.325
  413    H    GLY  46            HN      GLY  46  -2.088   3.773   3.773
  414   1HA   GLY  46           HA2      GLY  46  -0.142   4.448   4.448
  415   2HA   GLY  46           HA1      GLY  46  -1.293   4.402   4.402
  416    H    PHE  47            HN      PHE  47   0.659   2.855   2.855
  417    HA   PHE  47            HA      PHE  47   0.746   0.238   0.238
  418   1HB   PHE  47           HB2      PHE  47   1.662   1.171   1.171
  419   2HB   PHE  47           HB1      PHE  47   2.109  -0.354  -0.354
  420    HD1  PHE  47           HD2      PHE  47   2.827   0.099   0.099
  421    HD2  PHE  47           HD1      PHE  47   3.318   2.782   2.782
  422    HE1  PHE  47           HE2      PHE  47   4.663   1.248   1.248
  423    HE2  PHE  47           HE1      PHE  47   5.155   3.934   3.934
  424    HZ   PHE  47            HZ      PHE  47   5.828   3.168   3.168
  425    H    ILE  48            HN      ILE  48   0.045  -1.790  -1.790
  426    HA   ILE  48            HA      ILE  48  -1.948  -1.571  -1.571
  427    HB   ILE  48            HB      ILE  48  -3.488  -3.108  -3.108
  428   1HG1  ILE  48          HG12      ILE  48  -2.038  -2.039  -2.039
  429   2HG1  ILE  48          HG11      ILE  48  -1.574  -3.578  -3.578
  430   1HG2  ILE  48          HG22      ILE  48  -3.389  -0.387  -0.387
  431   2HG2  ILE  48          HG21      ILE  48  -3.364  -0.611  -0.611
  432   3HG2  ILE  48          HG23      ILE  48  -4.685  -1.280  -1.280
  433   1HD1  ILE  48          HD12      ILE  48  -4.258  -3.917  -3.917
  434   2HD1  ILE  48          HD11      ILE  48  -4.032  -2.859  -2.859
  435   3HD1  ILE  48          HD13      ILE  48  -3.176  -4.399  -4.399
  436    HA   PRO  49            HA      PRO  49   0.388  -5.196  -5.196
  437   1HB   PRO  49           HB2      PRO  49  -1.244  -6.222  -6.222
  438   2HB   PRO  49           HB1      PRO  49  -0.049  -4.932  -4.932
  439   1HG   PRO  49           HG2      PRO  49  -3.038  -4.723  -4.723
  440   2HG   PRO  49           HG1      PRO  49  -1.916  -3.676  -3.676
  441   1HD   PRO  49           HD2      PRO  49  -3.017  -3.037  -3.037
  442   2HD   PRO  49           HD1      PRO  49  -1.589  -2.295  -2.295
  443    H    LYS  50            HN      LYS  50   0.364  -6.656  -6.656
  444    HA   LYS  50            HA      LYS  50  -1.731  -7.708  -7.708
  445   1HB   LYS  50           HB2      LYS  50   0.663  -7.864  -7.864
  446   2HB   LYS  50           HB1      LYS  50   0.842  -9.054  -9.054
  447   1HG   LYS  50           HG2      LYS  50  -0.736 -10.540 -10.540
  448   2HG   LYS  50           HG1      LYS  50  -0.848  -9.351  -9.351
  449   1HD   LYS  50           HD2      LYS  50   1.339  -9.701  -9.701
  450   2HD   LYS  50           HD1      LYS  50   1.876 -10.224 -10.224
  451   1HE   LYS  50           HE2      LYS  50   0.389 -12.287 -12.287
  452   2HE   LYS  50           HE1      LYS  50   0.286 -11.794 -11.794
  453   1HZ   LYS  50           HZ2      LYS  50   2.760 -11.760 -11.760
  454   2HZ   LYS  50           HZ1      LYS  50   2.734 -12.472 -12.472
  455   3HZ   LYS  50           HZ3      LYS  50   2.085 -13.304 -13.304
  456    H    ASN  51            HN      ASN  51  -0.976  -8.608  -8.608
  457    HA   ASN  51            HA      ASN  51  -1.893 -11.219 -11.219
  458   1HB   ASN  51           HB2      ASN  51  -1.428  -9.144  -9.144
  459   2HB   ASN  51           HB1      ASN  51  -2.411 -10.477 -10.477
  460   1HD2  ASN  51          HD22      ASN  51   1.330 -11.543 -11.543
  461   2HD2  ASN  51          HD21      ASN  51   0.401 -10.457 -10.457
  462    H    TYR  52            HN      TYR  52  -3.531  -8.190  -8.190
  463    HA   TYR  52            HA      TYR  52  -6.167  -9.488  -9.488
  464   1HB   TYR  52           HB2      TYR  52  -5.257  -6.604  -6.604
  465   2HB   TYR  52           HB1      TYR  52  -6.946  -7.056  -7.056
  466    HD1  TYR  52           HD2      TYR  52  -3.776  -8.064  -8.064
  467    HD2  TYR  52           HD1      TYR  52  -7.893  -6.960  -6.960
  468    HE1  TYR  52           HE2      TYR  52  -3.669  -8.205  -8.205
  469    HE2  TYR  52           HE1      TYR  52  -7.778  -7.071  -7.071
  470    HH   TYR  52            HH      TYR  52  -5.320  -8.604  -8.604
  471    H    ILE  53            HN      ILE  53  -4.492  -9.668  -9.668
  472    HA   ILE  53            HA      ILE  53  -6.500  -8.643  -8.643
  473    HB   ILE  53            HB      ILE  53  -3.873  -8.199  -8.199
  474   1HG1  ILE  53          HG12      ILE  53  -3.495  -7.559  -7.559
  475   2HG1  ILE  53          HG11      ILE  53  -3.134  -6.322  -6.322
  476   1HG2  ILE  53          HG22      ILE  53  -5.989  -7.468  -7.468
  477   2HG2  ILE  53          HG21      ILE  53  -6.187  -6.313  -6.313
  478   3HG2  ILE  53          HG23      ILE  53  -4.827  -6.163  -6.163
  479   1HD1  ILE  53          HD12      ILE  53  -5.879  -6.146  -6.146
  480   2HD1  ILE  53          HD11      ILE  53  -4.852  -6.150  -6.150
  481   3HD1  ILE  53          HD13      ILE  53  -4.594  -4.957  -4.957
  482    H    GLU  54            HN      GLU  54  -6.281  -9.411  -9.411
  483    HA   GLU  54            HA      GLU  54  -4.509 -11.614 -11.614
  484   1HB   GLU  54           HB2      GLU  54  -7.362 -11.913 -11.913
  485   2HB   GLU  54           HB1      GLU  54  -6.827 -12.422 -12.422
  486   1HG   GLU  54           HG2      GLU  54  -5.348 -14.044 -14.044
  487   2HG   GLU  54           HG1      GLU  54  -5.416 -13.338 -13.338
  488    H    MET  55            HN      MET  55  -4.196 -11.805 -11.805
  489    HA   MET  55            HA      MET  55  -4.878  -9.211  -9.211
  490   1HB   MET  55           HB2      MET  55  -2.989  -9.999  -9.999
  491   2HB   MET  55           HB1      MET  55  -2.565  -9.312  -9.312
  492   1HG   MET  55           HG2      MET  55  -1.899 -11.341 -11.341
  493   2HG   MET  55           HG1      MET  55  -2.993 -12.264 -12.264
  494   1HE   MET  55           HE3      MET  55  -0.271 -13.349 -13.349
  495   2HE   MET  55           HE2      MET  55  -1.335 -14.055 -14.055
  496   3HE   MET  55           HE1      MET  55   0.352 -13.735 -13.735
  497    H    LYS  56            HN      LYS  56  -6.541  -9.262  -9.262
  498    HA   LYS  56            HA      LYS  56  -7.125 -11.674 -11.674
  499   1HB   LYS  56           HB2      LYS  56  -8.605  -9.251  -9.251
  500   2HB   LYS  56           HB1      LYS  56  -9.065 -10.052 -10.052
  501   1HG   LYS  56           HG2      LYS  56  -9.516 -12.107 -12.107
  502   2HG   LYS  56           HG1      LYS  56  -8.671 -11.579 -11.579
  503   1HD   LYS  56           HD2      LYS  56 -11.123 -11.487 -11.487
  504   2HD   LYS  56           HD1      LYS  56 -10.416  -9.873  -9.873
  505   1HE   LYS  56           HE2      LYS  56 -11.093  -9.394  -9.394
  506   2HE   LYS  56           HE1      LYS  56 -11.644 -11.054 -11.054
  507   1HZ   LYS  56           HZ2      LYS  56 -12.767  -9.490  -9.490
  508   2HZ   LYS  56           HZ1      LYS  56 -13.318  -9.179  -9.179
  509   3HZ   LYS  56           HZ3      LYS  56 -13.477 -10.732 -10.732
  510    HA   PRO  57            HA      PRO  57  -5.361 -10.238 -10.238
  511   1HB   PRO  57           HB2      PRO  57  -6.618 -11.854 -11.854
  512   2HB   PRO  57           HB1      PRO  57  -5.290 -12.372 -12.372
  513   1HG   PRO  57           HG2      PRO  57  -8.193 -12.898 -12.898
  514   2HG   PRO  57           HG1      PRO  57  -6.830 -13.858 -13.858
  515   1HD   PRO  57           HD2      PRO  57  -8.426 -12.227 -12.227
  516   2HD   PRO  57           HD1      PRO  57  -6.836 -12.888 -12.888
  517    H    HIS  58            HN      HIS  58  -5.992  -9.323  -9.323
  518    HA   HIS  58            HA      HIS  58  -8.768  -8.238  -8.238
  519   1HB   HIS  58           HB2      HIS  58  -7.168  -6.619  -6.619
  520   2HB   HIS  58           HB1      HIS  58  -6.294  -6.566  -6.566
  521    HD1  HIS  58           HD1      HIS  58  -9.827  -6.890  -6.890
  522    HD2  HIS  58           HD2      HIS  58  -7.281  -3.733  -3.733
  523    HE1  HIS  58           HE1      HIS  58 -11.024  -4.769  -4.769
  524    HA   PRO  59            HA      PRO  59  -7.176  -9.079  -9.079
  525   1HB   PRO  59           HB2      PRO  59  -7.741 -11.720 -11.720
  526   2HB   PRO  59           HB1      PRO  59  -6.168 -11.160 -11.160
  527   1HG   PRO  59           HG2      PRO  59  -8.354 -12.535 -12.535
  528   2HG   PRO  59           HG1      PRO  59  -6.611 -12.527 -12.527
  529   1HD   PRO  59           HD2      PRO  59  -8.553 -10.978 -10.978
  530   2HD   PRO  59           HD1      PRO  59  -6.798 -10.785 -10.785
  531    H    GLU  60            HN      GLU  60  -9.752  -8.207  -8.207
  532    HA   GLU  60            HA      GLU  60 -11.963  -9.758  -9.758
  533   1HB   GLU  60           HB2      GLU  60 -11.503  -6.974  -6.974
  534   2HB   GLU  60           HB1      GLU  60 -12.893  -7.182  -7.182
  535   1HG   GLU  60           HG2      GLU  60 -12.439  -8.988  -8.988
  536   2HG   GLU  60           HG1      GLU  60 -13.311  -7.462  -7.462
  537    H    PHE  61            HN      PHE  61 -12.542 -10.294 -10.294
  538    HA   PHE  61            HA      PHE  61 -11.731  -8.470  -8.470
  539   1HB   PHE  61           HB2      PHE  61 -12.102 -10.575 -10.575
  540   2HB   PHE  61           HB1      PHE  61 -10.675 -10.562 -10.562
  541    HD1  PHE  61           HD1      PHE  61 -14.161 -11.835 -11.835
  542    HD2  PHE  61           HD2      PHE  61 -10.403 -12.146 -12.146
  543    HE1  PHE  61           HE1      PHE  61 -14.933 -13.921 -13.921
  544    HE2  PHE  61           HE2      PHE  61 -11.177 -14.231 -14.231
  545    HZ   PHE  61            HZ      PHE  61 -13.441 -15.119 -15.119
  546    H    ILE  62            HN      ILE  62 -13.415  -9.169  -9.169
  547    HA   ILE  62            HA      ILE  62 -15.892  -7.948  -7.948
  548    HB   ILE  62            HB      ILE  62 -16.655  -8.531  -8.531
  549   1HG1  ILE  62          HG12      ILE  62 -14.345  -9.681  -9.681
  550   2HG1  ILE  62          HG11      ILE  62 -14.625 -10.609 -10.609
  551   1HG2  ILE  62          HG23      ILE  62 -14.864  -6.706  -6.706
  552   2HG2  ILE  62          HG22      ILE  62 -13.759  -7.768  -7.768
  553   3HG2  ILE  62          HG21      ILE  62 -15.167  -7.095  -7.095
  554   1HD1  ILE  62          HD12      ILE  62 -17.142 -10.560 -10.560
  555   2HD1  ILE  62          HD11      ILE  62 -16.370 -10.312 -10.312
  556   3HD1  ILE  62          HD13      ILE  62 -16.003 -11.755 -11.755
  557    H    VAL  63            HN      VAL  63 -17.500  -8.866  -8.866
  558    HA   VAL  63            HA      VAL  63 -18.983 -10.473 -10.473
  559    HB   VAL  63            HB      VAL  63 -18.268 -12.017 -12.017
  560   1HG1  VAL  63          HG11      VAL  63 -20.572 -12.096 -12.096
  561   2HG1  VAL  63          HG13      VAL  63 -20.692 -12.780 -12.780
  562   3HG1  VAL  63          HG12      VAL  63 -19.508 -13.418 -13.418
  563   1HG2  VAL  63          HG21      VAL  63 -19.001  -9.629  -9.629
  564   2HG2  VAL  63          HG23      VAL  63 -20.079 -10.841 -10.841
  565   3HG2  VAL  63          HG22      VAL  63 -20.517 -10.026 -10.026
  566    H    THR  64            HN      THR  64 -19.040 -12.711 -12.711
  567    HA   THR  64            HA      THR  64 -16.362 -14.008 -14.008
  568    HB   THR  64            HB      THR  64 -17.150 -14.343 -14.343
  569    HG1  THR  64           HG1      THR  64 -18.267 -12.599 -12.599
  570   1HG2  THR  64          HG22      THR  64 -15.674 -12.072 -12.072
  571   2HG2  THR  64          HG21      THR  64 -15.883 -12.107 -12.107
  572   3HG2  THR  64          HG23      THR  64 -15.031 -13.420 -13.420
  573    H    ASP  65            HN      ASP  65 -17.124 -15.773 -15.773
  574    HA   ASP  65            HA      ASP  65 -18.181 -17.839 -17.839
  575   1HB   ASP  65           HB2      ASP  65 -18.931 -17.648 -17.648
  576   2HB   ASP  65           HB1      ASP  65 -18.841 -19.113 -19.113
  577   1H    SER   1           HT2      SER   1 -11.551 -18.775 -18.775
  578   2H    SER   1           HT1      SER   1 -11.857 -20.446 -20.446
  579   3H    SER   1           HT3      SER   1 -10.331 -19.857 -19.857
  580    HA   SER   1            HA      SER   1 -10.039 -20.686 -20.686
  581   1HB   SER   1           HB2      SER   1 -12.660 -19.279 -19.279
  582   2HB   SER   1           HB1      SER   1 -11.600 -19.775 -19.775
  583    HG   SER   1            HG      SER   1 -13.202 -21.356 -21.356
  584    HA   PRO   2            HA      PRO   2  -7.835 -16.936 -16.936
  585   1HB   PRO   2           HB2      PRO   2  -6.737 -17.568 -17.568
  586   2HB   PRO   2           HB1      PRO   2  -6.148 -18.230 -18.230
  587   1HG   PRO   2           HG2      PRO   2  -7.766 -19.573 -19.573
  588   2HG   PRO   2           HG1      PRO   2  -6.659 -20.288 -20.288
  589   1HD   PRO   2           HD2      PRO   2  -9.491 -20.272 -20.272
  590   2HD   PRO   2           HD1      PRO   2  -8.368 -20.690 -20.690
  591    H    LEU   3            HN      LEU   3  -8.571 -14.979 -14.979
  592    HA   LEU   3            HA      LEU   3 -10.353 -15.089 -15.089
  593   1HB   LEU   3           HB2      LEU   3 -11.245 -14.358 -14.358
  594   2HB   LEU   3           HB1      LEU   3 -10.484 -12.824 -12.824
  595    HG   LEU   3            HG      LEU   3 -12.858 -12.831 -12.831
  596   1HD1  LEU   3          HD12      LEU   3 -11.114 -11.640 -11.640
  597   2HD1  LEU   3          HD11      LEU   3 -11.090 -13.038 -13.038
  598   3HD1  LEU   3          HD13      LEU   3 -12.564 -12.085 -12.085
  599   1HD2  LEU   3          HD21      LEU   3 -12.706 -15.430 -15.430
  600   2HD2  LEU   3          HD23      LEU   3 -13.819 -14.451 -14.451
  601   3HD2  LEU   3          HD22      LEU   3 -12.265 -14.939 -14.939
  602    H    LEU   4            HN      LEU   4  -8.186 -14.888 -14.888
  603    HA   LEU   4            HA      LEU   4  -6.766 -13.570 -13.570
  604   1HB   LEU   4           HB2      LEU   4  -9.179 -12.194 -12.194
  605   2HB   LEU   4           HB1      LEU   4  -7.989 -10.976 -10.976
  606    HG   LEU   4            HG      LEU   4  -6.951 -12.435 -12.435
  607   1HD1  LEU   4          HD13      LEU   4  -9.575 -12.779 -12.779
  608   2HD1  LEU   4          HD12      LEU   4  -9.524 -11.123 -11.123
  609   3HD1  LEU   4          HD11      LEU   4  -8.619 -12.391 -12.391
  610   1HD2  LEU   4          HD22      LEU   4  -6.800  -9.923  -9.923
  611   2HD2  LEU   4          HD21      LEU   4  -6.559 -10.297 -10.297
  612   3HD2  LEU   4          HD23      LEU   4  -8.117  -9.686  -9.686
  613    HA   PRO   5            HA      PRO   5  -3.942 -11.745 -11.745
  614   1HB   PRO   5           HB2      PRO   5  -2.131 -10.656 -10.656
  615   2HB   PRO   5           HB1      PRO   5  -2.210 -12.390 -12.390
  616   1HG   PRO   5           HG2      PRO   5  -3.096 -10.944 -10.944
  617   2HG   PRO   5           HG1      PRO   5  -2.622 -12.641 -12.641
  618   1HD   PRO   5           HD2      PRO   5  -5.283 -11.642 -11.642
  619   2HD   PRO   5           HD1      PRO   5  -4.804 -13.296 -13.296
  620    H    LYS   6            HN      LYS   6  -2.537  -9.285  -9.285
  621    HA   LYS   6            HA      LYS   6  -4.463  -7.262  -7.262
  622   1HB   LYS   6           HB2      LYS   6  -4.804  -8.119  -8.119
  623   2HB   LYS   6           HB1      LYS   6  -3.666  -6.794  -6.794
  624   1HG   LYS   6           HG2      LYS   6  -5.147  -5.279  -5.279
  625   2HG   LYS   6           HG1      LYS   6  -6.283  -6.603  -6.603
  626   1HD   LYS   6           HD2      LYS   6  -5.974  -6.705  -6.705
  627   2HD   LYS   6           HD1      LYS   6  -5.818  -4.973  -4.973
  628   1HE   LYS   6           HE2      LYS   6  -8.064  -6.593  -6.593
  629   2HE   LYS   6           HE1      LYS   6  -8.196  -5.872  -5.872
  630   1HZ   LYS   6           HZ3      LYS   6  -7.328  -4.232  -4.232
  631   2HZ   LYS   6           HZ2      LYS   6  -8.980  -4.545  -4.545
  632   3HZ   LYS   6           HZ1      LYS   6  -8.085  -3.749  -3.749
  633    H    LEU   7            HN      LEU   7  -1.586  -8.094  -8.094
  634    HA   LEU   7            HA      LEU   7   0.503  -7.021  -7.021
  635   1HB   LEU   7           HB2      LEU   7  -1.472  -4.730  -4.730
  636   2HB   LEU   7           HB1      LEU   7   0.253  -4.428  -4.428
  637    HG   LEU   7            HG      LEU   7  -0.860  -4.587  -4.587
  638   1HD1  LEU   7          HD11      LEU   7   1.504  -5.667  -5.667
  639   2HD1  LEU   7          HD13      LEU   7   0.685  -7.131  -7.131
  640   3HD1  LEU   7          HD12      LEU   7   0.862  -5.758  -5.758
  641   1HD2  LEU   7          HD23      LEU   7  -2.594  -6.303  -6.303
  642   2HD2  LEU   7          HD22      LEU   7  -2.040  -6.510  -6.510
  643   3HD2  LEU   7          HD21      LEU   7  -1.370  -7.514  -7.514
  644    HA   PRO   8            HA      PRO   8   0.901  -6.420  -6.420
  645   1HB   PRO   8           HB2      PRO   8   3.238  -7.846  -7.846
  646   2HB   PRO   8           HB1      PRO   8   1.620  -8.566  -8.566
  647   1HG   PRO   8           HG2      PRO   8   3.628  -8.625  -8.625
  648   2HG   PRO   8           HG1      PRO   8   2.369  -9.805  -9.805
  649   1HD   PRO   8           HD2      PRO   8   2.208  -7.907  -7.907
  650   2HD   PRO   8           HD1      PRO   8   0.834  -8.795  -8.795
  651    HA   PRO   9            HA      PRO   9   3.930  -3.116  -3.116
  652   1HB   PRO   9           HB2      PRO   9   3.051  -1.424  -1.424
  653   2HB   PRO   9           HB1      PRO   9   2.294  -1.526  -1.526
  654   1HG   PRO   9           HG2      PRO   9   1.298  -2.553  -2.553
  655   2HG   PRO   9           HG1      PRO   9   0.385  -2.122  -2.122
  656   1HD   PRO   9           HD2      PRO   9   1.074  -4.756  -4.756
  657   2HD   PRO   9           HD1      PRO   9   0.364  -4.295  -4.295
  658    H    LYS  10            HN      LYS  10   4.991  -1.642  -1.642
  659    HA   LYS  10            HA      LYS  10   6.179  -3.799  -3.799
  660   1HB   LYS  10           HB2      LYS  10   7.695  -2.632  -2.632
  661   2HB   LYS  10           HB1      LYS  10   7.513  -1.181  -1.181
  662   1HG   LYS  10           HG2      LYS  10   8.185  -2.792  -2.792
  663   2HG   LYS  10           HG1      LYS  10   8.874  -3.768  -3.768
  664   1HD   LYS  10           HD2      LYS  10  10.503  -2.225  -2.225
  665   2HD   LYS  10           HD1      LYS  10   9.479  -0.855  -0.855
  666   1HE   LYS  10           HE2      LYS  10  10.097  -2.587  -2.587
  667   2HE   LYS  10           HE1      LYS  10  11.530  -1.863  -1.863
  668   1HZ   LYS  10           HZ3      LYS  10   9.174  -0.179  -0.179
  669   2HZ   LYS  10           HZ2      LYS  10  10.172  -0.583  -0.583
  670   3HZ   LYS  10           HZ1      LYS  10  10.817   0.244   0.244
  671    H    THR  11            HN      THR  11   6.523  -3.309  -3.309
  672    HA   THR  11            HA      THR  11   5.885  -2.425  -2.425
  673    HB   THR  11            HB      THR  11   5.888   0.273   0.273
  674    HG1  THR  11           HG1      THR  11   7.339   0.863   0.863
  675   1HG2  THR  11          HG23      THR  11   8.163  -1.699  -1.699
  676   2HG2  THR  11          HG22      THR  11   8.452   0.033   0.033
  677   3HG2  THR  11          HG21      THR  11   7.454  -0.813  -0.813
  678    H    TYR  12            HN      TYR  12   3.775  -2.962  -2.962
  679    HA   TYR  12            HA      TYR  12   1.560  -1.600  -1.600
  680   1HB   TYR  12           HB2      TYR  12   1.845  -3.830  -3.830
  681   2HB   TYR  12           HB1      TYR  12   0.315  -2.955  -2.955
  682    HD1  TYR  12           HD1      TYR  12  -0.223  -2.296  -2.296
  683    HD2  TYR  12           HD2      TYR  12   1.633  -5.835  -5.835
  684    HE1  TYR  12           HE1      TYR  12  -0.933  -3.566  -3.566
  685    HE2  TYR  12           HE2      TYR  12   0.925  -7.101  -7.101
  686    HH   TYR  12            HH      TYR  12  -1.286  -6.539  -6.539
  687    H    LYS  13            HN      LYS  13   1.983  -2.096  -2.096
  688    HA   LYS  13            HA      LYS  13   0.676   0.464   0.464
  689   1HB   LYS  13           HB2      LYS  13   0.680  -1.800  -1.800
  690   2HB   LYS  13           HB1      LYS  13   2.116  -1.082  -1.082
  691   1HG   LYS  13           HG2      LYS  13   0.601   1.056   1.056
  692   2HG   LYS  13           HG1      LYS  13  -0.722  -0.100  -0.100
  693   1HD   LYS  13           HD2      LYS  13  -0.255  -1.127  -1.127
  694   2HD   LYS  13           HD1      LYS  13   1.466  -0.748  -0.748
  695   1HE   LYS  13           HE2      LYS  13   0.911   0.821   0.821
  696   2HE   LYS  13           HE1      LYS  13   0.447   1.759   1.759
  697   1HZ   LYS  13           HZ1      LYS  13  -1.788   0.506   0.506
  698   2HZ   LYS  13           HZ3      LYS  13  -1.254   0.299   0.299
  699   3HZ   LYS  13           HZ2      LYS  13  -1.444   1.864   1.864
  700    H    ARG  14            HN      ARG  14   1.841   2.307   2.307
  701    HA   ARG  14            HA      ARG  14   4.753   2.282   2.282
  702   1HB   ARG  14           HB2      ARG  14   3.029   4.244   4.244
  703   2HB   ARG  14           HB1      ARG  14   4.739   4.500   4.500
  704   1HG   ARG  14           HG2      ARG  14   5.362   2.528   2.528
  705   2HG   ARG  14           HG1      ARG  14   3.673   2.056   2.056
  706   1HD   ARG  14           HD2      ARG  14   3.242   3.716   3.716
  707   2HD   ARG  14           HD1      ARG  14   4.552   4.746   4.746
  708    HE   ARG  14            HE      ARG  14   4.881   2.383   2.383
  709   1HH1  ARG  14          HH21      ARG  14   6.858   3.660   3.660
  710   2HH1  ARG  14          HH22      ARG  14   8.043   4.310   4.310
  711   1HH2  ARG  14          HH11      ARG  14   6.099   3.840   3.840
  712   2HH2  ARG  14          HH12      ARG  14   7.614   4.411   4.411
  713    H    GLU  15            HN      GLU  15   5.550   4.394   4.394
  714    HA   GLU  15            HA      GLU  15   3.548   5.462   5.462
  715   1HB   GLU  15           HB2      GLU  15   5.427   3.622   3.622
  716   2HB   GLU  15           HB1      GLU  15   6.310   5.124   5.124
  717   1HG   GLU  15           HG2      GLU  15   4.608   5.952   5.952
  718   2HG   GLU  15           HG1      GLU  15   3.503   4.650   4.650

  Start of MODEL   17
    1   1H    GLY  -8           HT2      GLY  -8  11.445  -7.816  -7.816
    2   2H    GLY  -8           HT1      GLY  -8  12.177  -7.364  -7.364
    3   3H    GLY  -8           HT3      GLY  -8  12.834  -6.839  -6.839
    4   1HA   GLY  -8           HA1      GLY  -8  11.516  -5.078  -5.078
    5   2HA   GLY  -8           HA2      GLY  -8  10.680  -5.676  -5.676
    6    H    SER  -7            HN      SER  -7   8.672  -5.020  -5.020
    7    HA   SER  -7            HA      SER  -7   8.056  -5.486  -5.486
    8   1HB   SER  -7           HB2      SER  -7   7.945  -2.622  -2.622
    9   2HB   SER  -7           HB1      SER  -7   7.739  -3.225  -3.225
   10    HG   SER  -7            HG      SER  -7  10.022  -2.672  -2.672
   11    H    ARG  -6            HN      ARG  -6   5.747  -4.576  -4.576
   12    HA   ARG  -6            HA      ARG  -6   4.135  -4.811  -4.811
   13   1HB   ARG  -6           HB2      ARG  -6   3.593  -5.866  -5.866
   14   2HB   ARG  -6           HB1      ARG  -6   2.342  -5.758  -5.758
   15   1HG   ARG  -6           HG2      ARG  -6   3.424  -7.324  -7.324
   16   2HG   ARG  -6           HG1      ARG  -6   4.961  -7.150  -7.150
   17   1HD   ARG  -6           HD2      ARG  -6   3.976  -8.197  -8.197
   18   2HD   ARG  -6           HD1      ARG  -6   2.439  -8.371  -8.371
   19    HE   ARG  -6            HE      ARG  -6   4.926  -9.734  -9.734
   20   1HH1  ARG  -6          HH21      ARG  -6   3.273 -10.522 -10.522
   21   2HH1  ARG  -6          HH22      ARG  -6   2.204 -11.729 -11.729
   22   1HH2  ARG  -6          HH11      ARG  -6   2.811 -10.910 -10.910
   23   2HH2  ARG  -6          HH12      ARG  -6   1.942 -11.949 -11.949
   24    H    ARG  -5            HN      ARG  -5   4.167  -2.463  -2.463
   25    HA   ARG  -5            HA      ARG  -5   2.735  -1.001  -1.001
   26   1HB   ARG  -5           HB2      ARG  -5   4.957  -0.199  -0.199
   27   2HB   ARG  -5           HB1      ARG  -5   3.929   0.274   0.274
   28   1HG   ARG  -5           HG2      ARG  -5   2.662   1.773   1.773
   29   2HG   ARG  -5           HG1      ARG  -5   3.338   1.110   1.110
   30   1HD   ARG  -5           HD2      ARG  -5   4.406   3.258   3.258
   31   2HD   ARG  -5           HD1      ARG  -5   5.575   1.943   1.943
   32    HE   ARG  -5            HE      ARG  -5   4.210   2.963   2.963
   33   1HH1  ARG  -5          HH11      ARG  -5   5.913   1.185   1.185
   34   2HH1  ARG  -5          HH12      ARG  -5   7.498   1.882   1.882
   35   1HH2  ARG  -5          HH21      ARG  -5   6.729   4.319   4.319
   36   2HH2  ARG  -5          HH22      ARG  -5   7.960   3.656   3.656
   37    H    ALA  -4            HN      ALA  -4   1.381  -2.856  -2.856
   38    HA   ALA  -4            HA      ALA  -4  -0.223  -0.982  -0.982
   39   1HB   ALA  -4           HB1      ALA  -4   0.759  -3.313  -3.313
   40   2HB   ALA  -4           HB3      ALA  -4  -0.670  -3.948  -3.948
   41   3HB   ALA  -4           HB2      ALA  -4  -0.850  -2.815  -2.815
   42    H    SER  -3            HN      SER  -3  -0.432  -1.087  -1.087
   43    HA   SER  -3            HA      SER  -3  -3.340  -1.258  -1.258
   44   1HB   SER  -3           HB2      SER  -3  -3.201  -2.894  -2.894
   45   2HB   SER  -3           HB1      SER  -3  -2.984  -3.587  -3.587
   46    HG   SER  -3            HG      SER  -3  -0.803  -3.661  -3.661
   47    H    VAL  -2            HN      VAL  -2  -3.648   0.666   0.666
   48    HA   VAL  -2            HA      VAL  -2  -1.785   1.441   1.441
   49    HB   VAL  -2            HB      VAL  -2  -3.870   3.149   3.149
   50   1HG1  VAL  -2          HG12      VAL  -2  -1.537   3.739   3.739
   51   2HG1  VAL  -2          HG11      VAL  -2  -2.381   4.982   4.982
   52   3HG1  VAL  -2          HG13      VAL  -2  -3.245   4.055   4.055
   53   1HG2  VAL  -2          HG21      VAL  -2  -0.952   2.633   2.633
   54   2HG2  VAL  -2          HG23      VAL  -2  -2.325   2.572   2.572
   55   3HG2  VAL  -2          HG22      VAL  -2  -1.751   4.125   4.125
   56    H    GLY  -1            HN      GLY  -1  -2.582   0.530   0.530
   57   1HA   GLY  -1           HA2      GLY  -1  -5.012   1.568   1.568
   58   2HA   GLY  -1           HA1      GLY  -1  -5.249  -0.096  -0.096
   59    H    SER   0            HN      SER   0  -5.167  -1.344  -1.344
   60    HA   SER   0            HA      SER   0  -2.726  -1.716  -1.716
   61   1HB   SER   0           HB2      SER   0  -3.863  -0.944  -0.944
   62   2HB   SER   0           HB1      SER   0  -3.047   0.244   0.244
   63    HG   SER   0            HG      SER   0  -5.825  -0.362  -0.362
   64    H    MET   1            HN      MET   1  -3.237  -3.123  -3.123
   65    HA   MET   1            HA      MET   1  -5.464  -4.970  -4.970
   66   1HB   MET   1           HB2      MET   1  -2.762  -5.391  -5.391
   67   2HB   MET   1           HB1      MET   1  -4.069  -6.470  -6.470
   68   1HG   MET   1           HG2      MET   1  -4.375  -7.323  -7.323
   69   2HG   MET   1           HG1      MET   1  -3.684  -5.904  -5.904
   70   1HE   MET   1           HE1      MET   1  -2.580  -6.803  -6.803
   71   2HE   MET   1           HE3      MET   1  -0.827  -6.755  -6.755
   72   3HE   MET   1           HE2      MET   1  -1.652  -8.299  -8.299
   73    H    GLU   2            HN      GLU   2  -6.065  -6.291  -6.291
   74    HA   GLU   2            HA      GLU   2  -6.509  -4.227  -4.227
   75   1HB   GLU   2           HB2      GLU   2  -8.436  -5.357  -5.357
   76   2HB   GLU   2           HB1      GLU   2  -8.620  -6.209  -6.209
   77   1HG   GLU   2           HG2      GLU   2  -9.060  -4.217  -4.217
   78   2HG   GLU   2           HG1      GLU   2  -8.412  -3.206  -3.206
   79    H    ALA   3            HN      ALA   3  -7.367  -5.486  -5.486
   80    HA   ALA   3            HA      ALA   3  -6.363  -8.187  -8.187
   81   1HB   ALA   3           HB1      ALA   3  -4.985  -5.834  -5.834
   82   2HB   ALA   3           HB3      ALA   3  -5.029  -7.349  -7.349
   83   3HB   ALA   3           HB2      ALA   3  -4.307  -7.304  -7.304
   84    H    ILE   4            HN      ILE   4  -7.976  -9.091  -9.091
   85    HA   ILE   4            HA      ILE   4 -10.062  -7.835  -7.835
   86    HB   ILE   4            HB      ILE   4 -10.280 -10.042 -10.042
   87   1HG1  ILE   4          HG12      ILE   4 -10.551 -10.832 -10.832
   88   2HG1  ILE   4          HG11      ILE   4 -11.211  -9.229  -9.229
   89   1HG2  ILE   4          HG21      ILE   4  -7.807 -10.547 -10.547
   90   2HG2  ILE   4          HG23      ILE   4  -8.707 -11.290 -11.290
   91   3HG2  ILE   4          HG22      ILE   4  -8.969 -11.828 -11.828
   92   1HD1  ILE   4          HD13      ILE   4 -11.812 -11.565 -11.565
   93   2HD1  ILE   4          HD12      ILE   4 -12.762 -11.224 -11.224
   94   3HD1  ILE   4          HD11      ILE   4 -12.677 -10.036 -10.036
   95    H    ALA   5            HN      ALA   5 -10.097  -6.842  -6.842
   96    HA   ALA   5            HA      ALA   5  -8.004  -7.151  -7.151
   97   1HB   ALA   5           HB3      ALA   5 -10.653  -5.674  -5.674
   98   2HB   ALA   5           HB2      ALA   5  -9.772  -5.835  -5.835
   99   3HB   ALA   5           HB1      ALA   5  -9.028  -5.002  -5.002
  100    H    LYS   6            HN      LYS   6  -8.004  -9.108  -9.108
  101    HA   LYS   6            HA      LYS   6 -10.272 -10.849 -10.849
  102   1HB   LYS   6           HB2      LYS   6  -7.734 -10.871 -10.871
  103   2HB   LYS   6           HB1      LYS   6  -8.860 -12.216 -12.216
  104   1HG   LYS   6           HG2      LYS   6  -8.293 -12.537 -12.537
  105   2HG   LYS   6           HG1      LYS   6  -7.660 -10.901 -10.901
  106   1HD   LYS   6           HD2      LYS   6  -5.804 -12.468 -12.468
  107   2HD   LYS   6           HD1      LYS   6  -5.788 -11.499 -11.499
  108   1HE   LYS   6           HE2      LYS   6  -7.162 -13.405 -13.405
  109   2HE   LYS   6           HE1      LYS   6  -6.703 -14.361 -14.361
  110   1HZ   LYS   6           HZ2      LYS   6  -4.342 -13.651 -13.651
  111   2HZ   LYS   6           HZ1      LYS   6  -4.958 -13.192 -13.192
  112   3HZ   LYS   6           HZ3      LYS   6  -5.065 -14.807 -14.807
  113    H    TYR   7            HN      TYR   7  -9.121  -8.290  -8.290
  114    HA   TYR   7            HA      TYR   7 -11.477  -8.747  -8.747
  115   1HB   TYR   7           HB2      TYR   7  -8.782  -8.413  -8.413
  116   2HB   TYR   7           HB1      TYR   7 -10.286  -8.952  -8.952
  117    HD1  TYR   7           HD1      TYR   7 -11.225 -11.228 -11.228
  118    HD2  TYR   7           HD2      TYR   7  -7.293  -9.923  -9.923
  119    HE1  TYR   7           HE1      TYR   7 -10.576 -13.580 -13.580
  120    HE2  TYR   7           HE2      TYR   7  -6.634 -12.256 -12.256
  121    HH   TYR   7            HH      TYR   7  -7.387 -14.561 -14.561
  122    H    ASP   8            HN      ASP   8 -11.147  -7.044  -7.044
  123    HA   ASP   8            HA      ASP   8 -11.277  -4.462  -4.462
  124   1HB   ASP   8           HB2      ASP   8 -12.304  -5.661  -5.661
  125   2HB   ASP   8           HB1      ASP   8 -11.350  -4.260  -4.260
  126    H    PHE   9            HN      PHE   9 -10.134  -2.585  -2.585
  127    HA   PHE   9            HA      PHE   9  -7.862  -2.712  -2.712
  128   1HB   PHE   9           HB2      PHE   9  -7.296  -4.003  -4.003
  129   2HB   PHE   9           HB1      PHE   9  -6.530  -2.423  -2.423
  130    HD1  PHE   9           HD1      PHE   9  -7.103  -4.568  -4.568
  131    HD2  PHE   9           HD2      PHE   9  -4.227  -2.797  -2.797
  132    HE1  PHE   9           HE1      PHE   9  -5.265  -5.339  -5.339
  133    HE2  PHE   9           HE2      PHE   9  -2.387  -3.572  -3.572
  134    HZ   PHE   9            HZ      PHE   9  -2.911  -4.838  -4.838
  135    H    LYS  10            HN      LYS  10  -6.331  -0.722  -0.722
  136    HA   LYS  10            HA      LYS  10  -7.720   1.398   1.398
  137   1HB   LYS  10           HB2      LYS  10  -7.777   1.186   1.186
  138   2HB   LYS  10           HB1      LYS  10  -7.097   2.721   2.721
  139   1HG   LYS  10           HG2      LYS  10  -9.094   3.463   3.463
  140   2HG   LYS  10           HG1      LYS  10  -9.504   1.898   1.898
  141   1HD   LYS  10           HD2      LYS  10 -11.079   2.438   2.438
  142   2HD   LYS  10           HD1      LYS  10 -10.086   1.059   1.059
  143   1HE   LYS  10           HE2      LYS  10  -8.532   2.792   2.792
  144   2HE   LYS  10           HE1      LYS  10  -9.874   3.922   3.922
  145   1HZ   LYS  10           HZ2      LYS  10 -11.288   2.330   2.330
  146   2HZ   LYS  10           HZ1      LYS  10  -9.943   1.322   1.322
  147   3HZ   LYS  10           HZ3      LYS  10  -9.985   2.862   2.862
  148    H    ALA  11            HN      ALA  11  -6.466   3.261   3.261
  149    HA   ALA  11            HA      ALA  11  -3.744   2.664   2.664
  150   1HB   ALA  11           HB3      ALA  11  -5.130   4.338   4.338
  151   2HB   ALA  11           HB2      ALA  11  -4.988   5.412   5.412
  152   3HB   ALA  11           HB1      ALA  11  -3.543   4.939   4.939
  153    H    THR  12            HN      THR  12  -1.957   2.979   2.979
  154    HA   THR  12            HA      THR  12  -2.455   4.261   4.261
  155    HB   THR  12            HB      THR  12  -0.407   2.991   2.991
  156    HG1  THR  12           HG1      THR  12   0.694   2.492   2.492
  157   1HG2  THR  12          HG23      THR  12  -2.969   2.154   2.154
  158   2HG2  THR  12          HG22      THR  12  -2.204   0.921   0.921
  159   3HG2  THR  12          HG21      THR  12  -1.672   1.158   1.158
  160    H    ALA  13            HN      ALA  13   0.192   3.886   3.886
  161    HA   ALA  13            HA      ALA  13   1.661   6.178   6.178
  162   1HB   ALA  13           HB1      ALA  13   1.858   4.414   4.414
  163   2HB   ALA  13           HB3      ALA  13   2.755   5.934   5.934
  164   3HB   ALA  13           HB2      ALA  13   3.048   4.697   4.697
  165    H    ASP  14            HN      ASP  14   2.180   7.998   7.998
  166    HA   ASP  14            HA      ASP  14  -0.162   9.476   9.476
  167   1HB   ASP  14           HB2      ASP  14   2.257  10.146  10.146
  168   2HB   ASP  14           HB1      ASP  14   2.533  10.126  10.126
  169    H    ASP  15            HN      ASP  15   1.583   7.160   7.160
  170    HA   ASP  15            HA      ASP  15   0.149   7.987   7.987
  171   1HB   ASP  15           HB2      ASP  15   2.994   7.263   7.263
  172   2HB   ASP  15           HB1      ASP  15   2.201   6.656   6.656
  173    H    GLU  16            HN      GLU  16  -0.704   6.120   6.120
  174    HA   GLU  16            HA      GLU  16  -0.440   3.492   3.492
  175   1HB   GLU  16           HB2      GLU  16  -0.123   3.859   3.859
  176   2HB   GLU  16           HB1      GLU  16  -1.878   3.990   3.990
  177   1HG   GLU  16           HG2      GLU  16  -2.199   1.779   1.779
  178   2HG   GLU  16           HG1      GLU  16  -0.773   1.693   1.693
  179    H    LEU  17            HN      LEU  17  -2.619   2.210   2.210
  180    HA   LEU  17            HA      LEU  17  -4.785   4.075   4.075
  181   1HB   LEU  17           HB2      LEU  17  -3.778   2.938   2.938
  182   2HB   LEU  17           HB1      LEU  17  -4.058   1.381   1.381
  183    HG   LEU  17            HG      LEU  17  -6.533   1.937   1.937
  184   1HD1  LEU  17          HD13      LEU  17  -5.628   4.481   4.481
  185   2HD1  LEU  17          HD12      LEU  17  -6.247   3.862   3.862
  186   3HD1  LEU  17          HD11      LEU  17  -7.296   3.922   3.922
  187   1HD2  LEU  17          HD22      LEU  17  -4.815   1.320   1.320
  188   2HD2  LEU  17          HD21      LEU  17  -6.223   0.457   0.457
  189   3HD2  LEU  17          HD23      LEU  17  -6.443   1.869   1.869
  190    H    SER  18            HN      SER  18  -6.851   3.657   3.657
  191    HA   SER  18            HA      SER  18  -7.162   1.631   1.631
  192   1HB   SER  18           HB2      SER  18  -9.236   3.547   3.547
  193   2HB   SER  18           HB1      SER  18  -8.790   2.962   2.962
  194    HG   SER  18            HG      SER  18  -8.193   5.239   5.239
  195    H    PHE  19            HN      PHE  19  -9.088   0.238   0.238
  196    HA   PHE  19            HA      PHE  19 -10.883   0.135   0.135
  197   1HB   PHE  19           HB2      PHE  19 -10.066  -1.900  -1.900
  198   2HB   PHE  19           HB1      PHE  19  -8.867  -0.613  -0.613
  199    HD1  PHE  19           HD1      PHE  19  -9.816  -3.681  -3.681
  200    HD2  PHE  19           HD2      PHE  19  -6.699  -0.884  -0.884
  201    HE1  PHE  19           HE1      PHE  19  -8.147  -5.160  -5.160
  202    HE2  PHE  19           HE2      PHE  19  -5.034  -2.357  -2.357
  203    HZ   PHE  19            HZ      PHE  19  -5.758  -4.496  -4.496
  204    H    LYS  20            HN      LYS  20 -12.247  -1.864  -1.864
  205    HA   LYS  20            HA      LYS  20 -12.340  -2.940  -2.940
  206   1HB   LYS  20           HB2      LYS  20 -14.619  -2.655  -2.655
  207   2HB   LYS  20           HB1      LYS  20 -14.740  -3.084  -3.084
  208   1HG   LYS  20           HG2      LYS  20 -13.268  -0.613  -0.613
  209   2HG   LYS  20           HG1      LYS  20 -14.805  -0.491  -0.491
  210   1HD   LYS  20           HD2      LYS  20 -14.614  -1.546  -1.546
  211   2HD   LYS  20           HD1      LYS  20 -14.824   0.168   0.168
  212   1HE   LYS  20           HE2      LYS  20 -16.737  -1.060  -1.060
  213   2HE   LYS  20           HE1      LYS  20 -16.782  -1.998  -1.998
  214   1HZ   LYS  20           HZ1      LYS  20 -16.763   0.952   0.952
  215   2HZ   LYS  20           HZ3      LYS  20 -18.211   0.097   0.097
  216   3HZ   LYS  20           HZ2      LYS  20 -17.292  -0.134  -0.134
  217    H    ARG  21            HN      ARG  21 -13.828  -5.029  -5.029
  218    HA   ARG  21            HA      ARG  21 -12.344  -7.028  -7.028
  219   1HB   ARG  21           HB2      ARG  21 -13.446  -7.338  -7.338
  220   2HB   ARG  21           HB1      ARG  21 -15.010  -7.261  -7.261
  221   1HG   ARG  21           HG2      ARG  21 -14.721  -9.304  -9.304
  222   2HG   ARG  21           HG1      ARG  21 -12.960  -9.178  -9.178
  223   1HD   ARG  21           HD2      ARG  21 -12.806  -9.752  -9.752
  224   2HD   ARG  21           HD1      ARG  21 -14.492  -9.351  -9.351
  225    HE   ARG  21            HE      ARG  21 -13.648 -11.759 -11.759
  226   1HH1  ARG  21          HH21      ARG  21 -14.783 -10.981 -10.981
  227   2HH1  ARG  21          HH22      ARG  21 -16.245 -11.906 -11.906
  228   1HH2  ARG  21          HH11      ARG  21 -15.942 -12.560 -12.560
  229   2HH2  ARG  21          HH12      ARG  21 -16.901 -12.800 -12.800
  230    H    GLY  22            HN      GLY  22 -12.577  -6.997  -6.997
  231   1HA   GLY  22           HA2      GLY  22 -13.994  -7.946  -7.946
  232   2HA   GLY  22           HA1      GLY  22 -15.372  -7.142  -7.142
  233    H    ASP  23            HN      ASP  23 -12.769  -5.041  -5.041
  234    HA   ASP  23            HA      ASP  23 -13.733  -3.518  -3.518
  235   1HB   ASP  23           HB2      ASP  23 -12.948  -2.836  -2.836
  236   2HB   ASP  23           HB1      ASP  23 -11.644  -2.263  -2.263
  237    H    ILE  24            HN      ILE  24 -12.739  -4.469  -4.469
  238    HA   ILE  24            HA      ILE  24  -9.994  -5.313  -5.313
  239    HB   ILE  24            HB      ILE  24 -11.512  -4.628  -4.628
  240   1HG1  ILE  24          HG12      ILE  24 -11.868  -6.986  -6.986
  241   2HG1  ILE  24          HG11      ILE  24 -13.121  -5.947  -5.947
  242   1HG2  ILE  24          HG21      ILE  24  -8.987  -5.494  -5.494
  243   2HG2  ILE  24          HG23      ILE  24  -9.812  -7.048  -7.048
  244   3HG2  ILE  24          HG22      ILE  24  -9.929  -5.966  -5.966
  245   1HD1  ILE  24          HD11      ILE  24 -12.153  -6.913  -6.913
  246   2HD1  ILE  24          HD13      ILE  24 -11.697  -8.250  -8.250
  247   3HD1  ILE  24          HD12      ILE  24 -13.389  -7.769  -7.769
  248    H    LEU  25            HN      LEU  25  -8.179  -4.248  -4.248
  249    HA   LEU  25            HA      LEU  25  -8.410  -1.303  -1.303
  250   1HB   LEU  25           HB2      LEU  25  -5.875  -2.918  -2.918
  251   2HB   LEU  25           HB1      LEU  25  -6.101  -1.197  -1.197
  252    HG   LEU  25            HG      LEU  25  -6.128  -2.151  -2.151
  253   1HD1  LEU  25          HD13      LEU  25  -9.006  -1.862  -1.862
  254   2HD1  LEU  25          HD12      LEU  25  -8.493  -1.947  -1.947
  255   3HD1  LEU  25          HD11      LEU  25  -7.967  -0.606  -0.606
  256   1HD2  LEU  25          HD22      LEU  25  -6.700  -4.511  -4.511
  257   2HD2  LEU  25          HD21      LEU  25  -6.851  -4.246  -4.246
  258   3HD2  LEU  25          HD23      LEU  25  -8.277  -4.144  -4.144
  259    H    LYS  26            HN      LYS  26  -6.962  -0.179  -0.179
  260    HA   LYS  26            HA      LYS  26  -6.686  -1.824  -1.824
  261   1HB   LYS  26           HB2      LYS  26  -8.127   0.251   0.251
  262   2HB   LYS  26           HB1      LYS  26  -6.676   1.199   1.199
  263   1HG   LYS  26           HG2      LYS  26  -5.667   0.595   0.595
  264   2HG   LYS  26           HG1      LYS  26  -6.785  -0.747  -0.747
  265   1HD   LYS  26           HD2      LYS  26  -7.941   1.999   1.999
  266   2HD   LYS  26           HD1      LYS  26  -7.112   1.581   1.581
  267   1HE   LYS  26           HE2      LYS  26  -8.583  -0.237  -0.237
  268   2HE   LYS  26           HE1      LYS  26  -9.213  -0.219  -0.219
  269   1HZ   LYS  26           HZ2      LYS  26  -9.967   2.137   2.137
  270   2HZ   LYS  26           HZ1      LYS  26  -9.719   1.698   1.698
  271   3HZ   LYS  26           HZ3      LYS  26 -10.841   0.847   0.847
  272    H    VAL  27            HN      VAL  27  -4.604  -2.707  -2.707
  273    HA   VAL  27            HA      VAL  27  -2.397  -1.411  -1.411
  274    HB   VAL  27            HB      VAL  27  -2.310  -3.469  -3.469
  275   1HG1  VAL  27          HG12      VAL  27  -0.275  -2.182  -2.182
  276   2HG1  VAL  27          HG11      VAL  27  -0.135  -3.932  -3.932
  277   3HG1  VAL  27          HG13      VAL  27  -0.090  -2.873  -2.873
  278   1HG2  VAL  27          HG23      VAL  27  -3.653  -4.142  -4.142
  279   2HG2  VAL  27          HG22      VAL  27  -2.186  -5.103  -5.103
  280   3HG2  VAL  27          HG21      VAL  27  -2.250  -3.805  -3.805
  281    H    LEU  28            HN      LEU  28  -1.696   0.540   0.540
  282    HA   LEU  28            HA      LEU  28  -1.657   1.446   1.446
  283   1HB   LEU  28           HB2      LEU  28  -0.406   2.971   2.971
  284   2HB   LEU  28           HB1      LEU  28  -1.168   3.597   3.597
  285    HG   LEU  28            HG      LEU  28  -3.048   2.080   2.080
  286   1HD1  LEU  28          HD12      LEU  28  -1.613   4.463   4.463
  287   2HD1  LEU  28          HD11      LEU  28  -3.170   3.892   3.892
  288   3HD1  LEU  28          HD13      LEU  28  -1.757   2.847   2.847
  289   1HD2  LEU  28          HD23      LEU  28  -2.917   4.514   4.514
  290   2HD2  LEU  28          HD22      LEU  28  -4.278   3.435   3.435
  291   3HD2  LEU  28          HD21      LEU  28  -3.903   4.715   4.715
  292    H    ASN  29            HN      ASN  29   0.527   0.458   0.458
  293    HA   ASN  29            HA      ASN  29   2.669   0.216   0.216
  294   1HB   ASN  29           HB2      ASN  29   3.025   1.694   1.694
  295   2HB   ASN  29           HB1      ASN  29   4.343   1.235   1.235
  296   1HD2  ASN  29          HD22      ASN  29   2.945   3.462   3.462
  297   2HD2  ASN  29          HD21      ASN  29   3.298   1.807   1.807
  298    H    GLU  30            HN      GLU  30   3.839  -1.577  -1.577
  299    HA   GLU  30            HA      GLU  30   3.372  -3.371  -3.371
  300   1HB   GLU  30           HB2      GLU  30   4.884  -3.937  -3.937
  301   2HB   GLU  30           HB1      GLU  30   4.285  -5.117  -5.117
  302   1HG   GLU  30           HG2      GLU  30   1.947  -4.046  -4.046
  303   2HG   GLU  30           HG1      GLU  30   2.734  -3.461  -3.461
  304    H    GLU  31            HN      GLU  31   5.732  -4.785  -4.785
  305    HA   GLU  31            HA      GLU  31   8.002  -4.749  -4.749
  306   1HB   GLU  31           HB2      GLU  31   8.057  -1.754  -1.754
  307   2HB   GLU  31           HB1      GLU  31   9.405  -2.886  -2.886
  308   1HG   GLU  31           HG2      GLU  31   8.184  -3.987  -3.987
  309   2HG   GLU  31           HG1      GLU  31   7.252  -2.491  -2.491
  310    H    CYS  32            HN      CYS  32   9.337  -3.027  -3.027
  311    HA   CYS  32            HA      CYS  32   9.444  -2.145  -2.145
  312   1HB   CYS  32           HB2      CYS  32   6.418  -2.198  -2.198
  313   2HB   CYS  32           HB1      CYS  32   7.524  -1.205  -1.205
  314    HG   CYS  32            HG      CYS  32   7.790   0.387   0.387
  315    H    ASP  33            HN      ASP  33   7.981  -2.810  -2.810
  316    HA   ASP  33            HA      ASP  33   8.940  -5.115  -5.115
  317   1HB   ASP  33           HB2      ASP  33   7.205  -3.372  -3.372
  318   2HB   ASP  33           HB1      ASP  33   6.079  -4.652  -4.652
  319    H    GLN  34            HN      GLN  34   8.210  -7.244  -7.244
  320    HA   GLN  34            HA      GLN  34   6.813  -8.281  -8.281
  321   1HB   GLN  34           HB2      GLN  34   8.662  -9.432  -9.432
  322   2HB   GLN  34           HB1      GLN  34   7.469 -10.525 -10.525
  323   1HG   GLN  34           HG2      GLN  34   8.371  -9.209  -9.209
  324   2HG   GLN  34           HG1      GLN  34   9.833  -9.267  -9.267
  325   1HE2  GLN  34          HE22      GLN  34  10.127 -12.827 -12.827
  326   2HE2  GLN  34          HE21      GLN  34  10.575 -11.456 -11.456
  327    H    ASN  35            HN      ASN  35   5.591  -6.897  -6.897
  328    HA   ASN  35            HA      ASN  35   3.409  -8.839  -8.839
  329   1HB   ASN  35           HB2      ASN  35   5.144  -7.727  -7.727
  330   2HB   ASN  35           HB1      ASN  35   3.425  -7.940  -7.940
  331   1HD2  ASN  35          HD22      ASN  35   3.672 -11.571 -11.571
  332   2HD2  ASN  35          HD21      ASN  35   2.720 -10.275 -10.275
  333    H    TRP  36            HN      TRP  36   4.099  -5.916  -5.916
  334    HA   TRP  36            HA      TRP  36   1.411  -4.869  -4.869
  335   1HB   TRP  36           HB2      TRP  36   3.841  -3.064  -3.064
  336   2HB   TRP  36           HB1      TRP  36   2.164  -2.634  -2.634
  337    HD1  TRP  36           HD1      TRP  36   4.809  -5.187  -5.187
  338    HE1  TRP  36           HE1      TRP  36   4.483  -5.401  -5.401
  339    HE3  TRP  36           HE3      TRP  36   0.715  -2.121  -2.121
  340    HZ2  TRP  36           HZ2      TRP  36   2.822  -4.419  -4.419
  341    HZ3  TRP  36           HZ3      TRP  36  -0.148  -1.773  -1.773
  342    HH2  TRP  36           HH2      TRP  36   0.884  -2.922  -2.922
  343    H    TYR  37            HN      TYR  37   0.781  -3.118  -3.118
  344    HA   TYR  37            HA      TYR  37   2.455  -2.928  -2.928
  345   1HB   TYR  37           HB2      TYR  37  -0.510  -3.521  -3.521
  346   2HB   TYR  37           HB1      TYR  37   0.598  -3.410  -3.410
  347    HD1  TYR  37           HD1      TYR  37   2.874  -5.078  -5.078
  348    HD2  TYR  37           HD2      TYR  37  -1.357  -5.626  -5.626
  349    HE1  TYR  37           HE1      TYR  37   3.197  -7.538  -7.538
  350    HE2  TYR  37           HE2      TYR  37  -1.062  -8.067  -8.067
  351    HH   TYR  37            HH      TYR  37   1.406  -9.642  -9.642
  352    H    LYS  38            HN      LYS  38   1.906  -1.023  -1.023
  353    HA   LYS  38            HA      LYS  38   0.435   1.045   1.045
  354   1HB   LYS  38           HB2      LYS  38   2.565   1.566   1.566
  355   2HB   LYS  38           HB1      LYS  38   1.643   1.283   1.283
  356   1HG   LYS  38           HG2      LYS  38  -0.046   2.963   2.963
  357   2HG   LYS  38           HG1      LYS  38   1.511   3.546   3.546
  358   1HD   LYS  38           HD2      LYS  38   1.750   3.079   3.079
  359   2HD   LYS  38           HD1      LYS  38   0.288   4.015   4.015
  360   1HE   LYS  38           HE2      LYS  38   1.862   5.385   5.385
  361   2HE   LYS  38           HE1      LYS  38   3.126   4.743   4.743
  362   1HZ   LYS  38           HZ3      LYS  38   1.562   5.549   5.549
  363   2HZ   LYS  38           HZ2      LYS  38   0.890   6.537   6.537
  364   3HZ   LYS  38           HZ1      LYS  38   2.535   6.678   6.678
  365    H    ALA  39            HN      ALA  39  -1.705   1.605   1.605
  366    HA   ALA  39            HA      ALA  39  -2.846   0.922   0.922
  367   1HB   ALA  39           HB2      ALA  39  -2.844  -1.259  -1.259
  368   2HB   ALA  39           HB1      ALA  39  -3.815  -0.557  -0.557
  369   3HB   ALA  39           HB3      ALA  39  -4.482  -0.676  -0.676
  370    H    GLU  40            HN      GLU  40  -5.398   1.044   1.044
  371    HA   GLU  40            HA      GLU  40  -5.981   3.339   3.339
  372   1HB   GLU  40           HB2      GLU  40  -5.717   4.858   4.858
  373   2HB   GLU  40           HB1      GLU  40  -5.008   3.591   3.591
  374   1HG   GLU  40           HG2      GLU  40  -7.206   3.126   3.126
  375   2HG   GLU  40           HG1      GLU  40  -7.976   4.294   4.294
  376    H    LEU  41            HN      LEU  41  -7.940   3.512   3.512
  377    HA   LEU  41            HA      LEU  41 -10.008   1.666   1.666
  378   1HB   LEU  41           HB2      LEU  41  -9.555   2.900   2.900
  379   2HB   LEU  41           HB1      LEU  41 -11.230   2.601   2.601
  380    HG   LEU  41            HG      LEU  41  -9.140   0.507   0.507
  381   1HD1  LEU  41          HD11      LEU  41 -10.548   1.381   1.381
  382   2HD1  LEU  41          HD13      LEU  41 -10.253  -0.340  -0.340
  383   3HD1  LEU  41          HD12      LEU  41  -8.899   0.789   0.789
  384   1HD2  LEU  41          HD23      LEU  41 -11.376   0.374   0.374
  385   2HD2  LEU  41          HD22      LEU  41 -11.094  -0.946  -0.946
  386   3HD2  LEU  41          HD21      LEU  41 -12.125   0.410   0.410
  387    H    ASN  42            HN      ASN  42 -10.762   2.594   2.594
  388    HA   ASN  42            HA      ASN  42 -11.882   4.169   4.169
  389   1HB   ASN  42           HB2      ASN  42 -13.311   3.772   3.772
  390   2HB   ASN  42           HB1      ASN  42 -13.901   5.054   5.054
  391   1HD2  ASN  42          HD22      ASN  42 -14.933   1.315   1.315
  392   2HD2  ASN  42          HD21      ASN  42 -14.410   1.854   1.854
  393    H    GLY  43            HN      GLY  43  -9.731   5.508   5.508
  394   1HA   GLY  43           HA2      GLY  43  -9.727   8.093   8.093
  395   2HA   GLY  43           HA1      GLY  43 -10.917   8.150   8.150
  396    H    LYS  44            HN      LYS  44  -9.703   6.324   6.324
  397    HA   LYS  44            HA      LYS  44  -7.569   7.976   7.976
  398   1HB   LYS  44           HB2      LYS  44  -9.195   5.709   5.709
  399   2HB   LYS  44           HB1      LYS  44  -7.597   6.007   6.007
  400   1HG   LYS  44           HG2      LYS  44  -9.242   7.264   7.264
  401   2HG   LYS  44           HG1      LYS  44  -8.203   8.370   8.370
  402   1HD   LYS  44           HD2      LYS  44 -10.491   9.127   9.127
  403   2HD   LYS  44           HD1      LYS  44  -9.970   8.457   8.457
  404   1HE   LYS  44           HE2      LYS  44 -10.980   6.232   6.232
  405   2HE   LYS  44           HE1      LYS  44 -12.034   7.490   7.490
  406   1HZ   LYS  44           HZ1      LYS  44 -11.421   7.265   7.265
  407   2HZ   LYS  44           HZ3      LYS  44 -12.717   6.435   6.435
  408   3HZ   LYS  44           HZ2      LYS  44 -12.677   8.134   8.134
  409    H    ASP  45            HN      ASP  45  -5.704   6.664   6.664
  410    HA   ASP  45            HA      ASP  45  -4.965   4.376   4.376
  411   1HB   ASP  45           HB2      ASP  45  -3.676   5.259   5.259
  412   2HB   ASP  45           HB1      ASP  45  -4.798   6.587   6.587
  413    H    GLY  46            HN      GLY  46  -2.384   4.136   4.136
  414   1HA   GLY  46           HA2      GLY  46  -0.506   4.796   4.796
  415   2HA   GLY  46           HA1      GLY  46  -1.695   4.672   4.672
  416    H    PHE  47            HN      PHE  47   0.518   3.170   3.170
  417    HA   PHE  47            HA      PHE  47   0.655   0.621   0.621
  418   1HB   PHE  47           HB2      PHE  47   1.353   1.426   1.426
  419   2HB   PHE  47           HB1      PHE  47   1.868  -0.072  -0.072
  420    HD1  PHE  47           HD1      PHE  47   3.194   0.110   0.110
  421    HD2  PHE  47           HD2      PHE  47   2.580   3.419   3.419
  422    HE1  PHE  47           HE1      PHE  47   5.107   1.301   1.301
  423    HE2  PHE  47           HE2      PHE  47   4.492   4.611   4.611
  424    HZ   PHE  47            HZ      PHE  47   5.755   3.551   3.551
  425    H    ILE  48            HN      ILE  48   0.076  -1.499  -1.499
  426    HA   ILE  48            HA      ILE  48  -2.152  -1.567  -1.567
  427    HB   ILE  48            HB      ILE  48  -3.437  -3.096  -3.096
  428   1HG1  ILE  48          HG12      ILE  48  -2.170  -1.455  -1.455
  429   2HG1  ILE  48          HG11      ILE  48  -1.304  -2.882  -2.882
  430   1HG2  ILE  48          HG22      ILE  48  -3.763  -0.538  -0.538
  431   2HG2  ILE  48          HG21      ILE  48  -3.450  -0.304  -0.304
  432   3HG2  ILE  48          HG23      ILE  48  -4.793  -1.320  -1.320
  433   1HD1  ILE  48          HD11      ILE  48  -4.205  -3.241  -3.241
  434   2HD1  ILE  48          HD13      ILE  48  -3.187  -2.976  -2.976
  435   3HD1  ILE  48          HD12      ILE  48  -2.857  -4.330  -4.330
  436    HA   PRO  49            HA      PRO  49   0.563  -5.074  -5.074
  437   1HB   PRO  49           HB2      PRO  49  -0.832  -6.114  -6.114
  438   2HB   PRO  49           HB1      PRO  49   0.379  -4.819  -4.819
  439   1HG   PRO  49           HG2      PRO  49  -2.631  -4.619  -4.619
  440   2HG   PRO  49           HG1      PRO  49  -1.444  -3.614  -3.614
  441   1HD   PRO  49           HD2      PRO  49  -2.702  -2.814  -2.814
  442   2HD   PRO  49           HD1      PRO  49  -1.159  -2.202  -2.202
  443    H    LYS  50            HN      LYS  50   0.287  -6.485  -6.485
  444    HA   LYS  50            HA      LYS  50  -1.952  -7.610  -7.610
  445   1HB   LYS  50           HB2      LYS  50   0.235  -7.846  -7.846
  446   2HB   LYS  50           HB1      LYS  50   0.812  -8.747  -8.747
  447   1HG   LYS  50           HG2      LYS  50  -1.555  -9.962  -9.962
  448   2HG   LYS  50           HG1      LYS  50  -0.168  -9.874  -9.874
  449   1HD   LYS  50           HD2      LYS  50   1.085 -10.707 -10.707
  450   2HD   LYS  50           HD1      LYS  50  -0.508 -11.431 -11.431
  451   1HE   LYS  50           HE2      LYS  50   0.743 -11.714 -11.714
  452   2HE   LYS  50           HE1      LYS  50   1.363 -12.714 -12.714
  453   1HZ   LYS  50           HZ2      LYS  50  -0.916 -13.452 -13.452
  454   2HZ   LYS  50           HZ1      LYS  50  -1.463 -12.544 -12.544
  455   3HZ   LYS  50           HZ3      LYS  50  -0.411 -13.851 -13.851
  456    H    ASN  51            HN      ASN  51  -0.731  -8.485  -8.485
  457    HA   ASN  51            HA      ASN  51  -1.645 -11.075 -11.075
  458   1HB   ASN  51           HB2      ASN  51  -1.044  -8.912  -8.912
  459   2HB   ASN  51           HB1      ASN  51  -1.947 -10.239 -10.239
  460   1HD2  ASN  51          HD22      ASN  51   1.668 -11.313 -11.313
  461   2HD2  ASN  51          HD21      ASN  51   0.626 -10.300 -10.300
  462    H    TYR  52            HN      TYR  52  -3.313  -8.072  -8.072
  463    HA   TYR  52            HA      TYR  52  -5.902  -9.389  -9.389
  464   1HB   TYR  52           HB2      TYR  52  -4.909  -6.543  -6.543
  465   2HB   TYR  52           HB1      TYR  52  -6.624  -6.892  -6.892
  466    HD1  TYR  52           HD1      TYR  52  -3.571  -8.163  -8.163
  467    HD2  TYR  52           HD2      TYR  52  -7.590  -6.757  -6.757
  468    HE1  TYR  52           HE1      TYR  52  -3.525  -8.356  -8.356
  469    HE2  TYR  52           HE2      TYR  52  -7.551  -6.923  -6.923
  470    HH   TYR  52            HH      TYR  52  -5.428  -8.708  -8.708
  471    H    ILE  53            HN      ILE  53  -4.497  -9.688  -9.688
  472    HA   ILE  53            HA      ILE  53  -6.543  -8.799  -8.799
  473    HB   ILE  53            HB      ILE  53  -3.964  -8.004  -8.004
  474   1HG1  ILE  53          HG12      ILE  53  -5.219  -6.217  -6.217
  475   2HG1  ILE  53          HG11      ILE  53  -3.794  -7.212  -7.212
  476   1HG2  ILE  53          HG23      ILE  53  -6.450  -7.605  -7.605
  477   2HG2  ILE  53          HG22      ILE  53  -6.239  -6.138  -6.138
  478   3HG2  ILE  53          HG21      ILE  53  -5.137  -6.515  -6.515
  479   1HD1  ILE  53          HD13      ILE  53  -2.984  -6.065  -6.065
  480   2HD1  ILE  53          HD12      ILE  53  -4.109  -4.815  -4.815
  481   3HD1  ILE  53          HD11      ILE  53  -2.759  -5.283  -5.283
  482    H    GLU  54            HN      GLU  54  -5.899  -9.363  -9.363
  483    HA   GLU  54            HA      GLU  54  -3.990 -11.435 -11.435
  484   1HB   GLU  54           HB2      GLU  54  -6.836 -11.989 -11.989
  485   2HB   GLU  54           HB1      GLU  54  -6.122 -12.557 -12.557
  486   1HG   GLU  54           HG2      GLU  54  -4.434 -13.817 -13.817
  487   2HG   GLU  54           HG1      GLU  54  -5.026 -13.176 -13.176
  488    H    MET  55            HN      MET  55  -3.581 -11.606 -11.606
  489    HA   MET  55            HA      MET  55  -4.484  -9.122  -9.122
  490   1HB   MET  55           HB2      MET  55  -2.607  -9.717  -9.717
  491   2HB   MET  55           HB1      MET  55  -2.141  -9.209  -9.209
  492   1HG   MET  55           HG2      MET  55  -1.425 -11.300 -11.300
  493   2HG   MET  55           HG1      MET  55  -2.593 -12.118 -12.118
  494   1HE   MET  55           HE1      MET  55  -0.282 -13.377 -13.377
  495   2HE   MET  55           HE3      MET  55   0.891 -13.360 -13.360
  496   3HE   MET  55           HE2      MET  55   1.087 -12.269 -12.269
  497    H    LYS  56            HN      LYS  56  -6.137  -9.236  -9.236
  498    HA   LYS  56            HA      LYS  56  -6.515 -11.640 -11.640
  499   1HB   LYS  56           HB2      LYS  56  -8.311  -9.704  -9.704
  500   2HB   LYS  56           HB1      LYS  56  -8.812 -10.402 -10.402
  501   1HG   LYS  56           HG2      LYS  56  -8.193 -12.666 -12.666
  502   2HG   LYS  56           HG1      LYS  56  -8.106 -11.830 -11.830
  503   1HD   LYS  56           HD2      LYS  56 -10.543 -11.875 -11.875
  504   2HD   LYS  56           HD1      LYS  56 -10.341 -12.883 -12.883
  505   1HE   LYS  56           HE2      LYS  56 -11.016 -11.206 -11.206
  506   2HE   LYS  56           HE1      LYS  56  -9.825 -10.105 -10.105
  507   1HZ   LYS  56           HZ1      LYS  56 -12.179 -10.714 -10.714
  508   2HZ   LYS  56           HZ3      LYS  56 -12.414  -9.725  -9.725
  509   3HZ   LYS  56           HZ2      LYS  56 -11.308  -9.262  -9.262
  510    HA   PRO  57            HA      PRO  57  -5.824  -9.391  -9.391
  511   1HB   PRO  57           HB2      PRO  57  -7.181 -10.894 -10.894
  512   2HB   PRO  57           HB1      PRO  57  -5.616 -11.352 -11.352
  513   1HG   PRO  57           HG2      PRO  57  -8.309 -12.400 -12.400
  514   2HG   PRO  57           HG1      PRO  57  -6.744 -13.170 -13.170
  515   1HD   PRO  57           HD2      PRO  57  -8.285 -12.024 -12.024
  516   2HD   PRO  57           HD1      PRO  57  -6.590 -12.548 -12.548
  517    H    HIS  58            HN      HIS  58  -7.425  -8.981  -8.981
  518    HA   HIS  58            HA      HIS  58  -9.268  -6.944  -6.944
  519   1HB   HIS  58           HB2      HIS  58  -8.788  -8.305  -8.305
  520   2HB   HIS  58           HB1      HIS  58  -9.979  -7.022  -7.022
  521    HD1  HIS  58           HD1      HIS  58  -8.973  -4.914  -4.914
  522    HD2  HIS  58           HD2      HIS  58  -6.201  -7.164  -7.164
  523    HE1  HIS  58           HE1      HIS  58  -6.844  -3.542  -3.542
  524    HA   PRO  59            HA      PRO  59 -12.928  -9.368  -9.368
  525   1HB   PRO  59           HB2      PRO  59 -14.887  -7.611  -7.611
  526   2HB   PRO  59           HB1      PRO  59 -14.020  -7.484  -7.484
  527   1HG   PRO  59           HG2      PRO  59 -13.710  -5.830  -5.830
  528   2HG   PRO  59           HG1      PRO  59 -13.372  -5.401  -5.401
  529   1HD   PRO  59           HD2      PRO  59 -11.442  -6.124  -6.124
  530   2HD   PRO  59           HD1      PRO  59 -11.169  -6.014  -6.014
  531    H    GLU  60            HN      GLU  60 -14.383 -10.695 -10.695
  532    HA   GLU  60            HA      GLU  60 -14.976 -12.029 -12.029
  533   1HB   GLU  60           HB2      GLU  60 -16.384 -10.852 -10.852
  534   2HB   GLU  60           HB1      GLU  60 -16.671 -10.207 -10.207
  535   1HG   GLU  60           HG2      GLU  60 -15.375  -8.246  -8.246
  536   2HG   GLU  60           HG1      GLU  60 -14.724  -8.935  -8.935
  537    H    PHE  61            HN      PHE  61 -14.971 -11.631 -11.631
  538    HA   PHE  61            HA      PHE  61 -12.441 -10.658 -10.658
  539   1HB   PHE  61           HB2      PHE  61 -11.786 -12.779 -12.779
  540   2HB   PHE  61           HB1      PHE  61 -12.720 -13.670 -13.670
  541    HD1  PHE  61           HD2      PHE  61  -9.938 -11.199 -11.199
  542    HD2  PHE  61           HD1      PHE  61 -11.779 -14.210 -14.210
  543    HE1  PHE  61           HE2      PHE  61  -8.018 -11.099 -11.099
  544    HE2  PHE  61           HE1      PHE  61  -9.859 -14.111 -14.111
  545    HZ   PHE  61            HZ      PHE  61  -7.979 -12.556 -12.556
  546    H    ILE  62            HN      ILE  62 -14.877 -13.228 -13.228
  547    HA   ILE  62            HA      ILE  62 -15.114 -12.193 -12.193
  548    HB   ILE  62            HB      ILE  62 -14.289 -14.527 -14.527
  549   1HG1  ILE  62          HG12      ILE  62 -16.192 -15.593 -15.593
  550   2HG1  ILE  62          HG11      ILE  62 -17.102 -14.111 -14.111
  551   1HG2  ILE  62          HG23      ILE  62 -16.869 -14.959 -14.959
  552   2HG2  ILE  62          HG22      ILE  62 -15.912 -16.273 -16.273
  553   3HG2  ILE  62          HG21      ILE  62 -15.226 -15.245 -15.245
  554   1HD1  ILE  62          HD13      ILE  62 -15.283 -12.795 -12.795
  555   2HD1  ILE  62          HD12      ILE  62 -14.393 -14.285 -14.285
  556   3HD1  ILE  62          HD11      ILE  62 -15.931 -13.989 -13.989
  557    H    VAL  63            HN      VAL  63 -17.221 -11.848 -11.848
  558    HA   VAL  63            HA      VAL  63 -19.379 -11.779 -11.779
  559    HB   VAL  63            HB      VAL  63 -19.201 -10.186 -10.186
  560   1HG1  VAL  63          HG13      VAL  63 -21.052 -10.164 -10.164
  561   2HG1  VAL  63          HG12      VAL  63 -20.917  -8.785  -8.785
  562   3HG1  VAL  63          HG11      VAL  63 -21.476 -10.343 -10.343
  563   1HG2  VAL  63          HG23      VAL  63 -17.394  -9.653  -9.653
  564   2HG2  VAL  63          HG22      VAL  63 -18.494  -8.310  -8.310
  565   3HG2  VAL  63          HG21      VAL  63 -18.660  -9.264  -9.264
  566    H    THR  64            HN      THR  64 -21.337 -12.798 -12.798
  567    HA   THR  64            HA      THR  64 -21.416 -14.364 -14.364
  568    HB   THR  64            HB      THR  64 -23.192 -15.677 -15.677
  569    HG1  THR  64           HG1      THR  64 -22.806 -15.493 -15.493
  570   1HG2  THR  64          HG23      THR  64 -20.900 -16.375 -16.375
  571   2HG2  THR  64          HG22      THR  64 -20.274 -16.073 -16.073
  572   3HG2  THR  64          HG21      THR  64 -21.525 -17.292 -17.292
  573    H    ASP  65            HN      ASP  65 -23.735 -13.059 -13.059
  574    HA   ASP  65            HA      ASP  65 -25.417 -12.153 -12.153
  575   1HB   ASP  65           HB2      ASP  65 -26.115 -13.694 -13.694
  576   2HB   ASP  65           HB1      ASP  65 -27.265 -12.459 -12.459
  577   1H    SER   1           HT1      SER   1 -12.934 -15.272 -15.272
  578   2H    SER   1           HT3      SER   1 -11.460 -14.512 -14.512
  579   3H    SER   1           HT2      SER   1 -12.040 -15.754 -15.754
  580    HA   SER   1            HA      SER   1 -11.782 -17.364 -17.364
  581   1HB   SER   1           HB2      SER   1  -9.218 -17.049 -17.049
  582   2HB   SER   1           HB1      SER   1  -9.865 -17.247 -17.247
  583    HG   SER   1            HG      SER   1  -8.497 -15.476 -15.476
  584    HA   PRO   2            HA      PRO   2 -11.684 -15.836 -15.836
  585   1HB   PRO   2           HB2      PRO   2 -10.411 -17.890 -17.890
  586   2HB   PRO   2           HB1      PRO   2 -12.090 -17.977 -17.977
  587   1HG   PRO   2           HG2      PRO   2  -9.660 -19.275 -19.275
  588   2HG   PRO   2           HG1      PRO   2 -11.354 -19.785 -19.785
  589   1HD   PRO   2           HD2      PRO   2  -9.904 -18.480 -18.480
  590   2HD   PRO   2           HD1      PRO   2 -11.668 -18.690 -18.690
  591    H    LEU   3            HN      LEU   3 -10.269 -14.865 -14.865
  592    HA   LEU   3            HA      LEU   3  -8.316 -13.786 -13.786
  593   1HB   LEU   3           HB2      LEU   3  -7.640 -16.453 -16.453
  594   2HB   LEU   3           HB1      LEU   3  -6.421 -15.611 -15.611
  595    HG   LEU   3            HG      LEU   3  -7.102 -14.857 -14.857
  596   1HD1  LEU   3          HD12      LEU   3  -6.131 -17.234 -17.234
  597   2HD1  LEU   3          HD11      LEU   3  -4.648 -16.390 -16.390
  598   3HD1  LEU   3          HD13      LEU   3  -5.319 -16.197 -16.197
  599   1HD2  LEU   3          HD21      LEU   3  -5.899 -13.311 -13.311
  600   2HD2  LEU   3          HD23      LEU   3  -5.303 -13.387 -13.387
  601   3HD2  LEU   3          HD22      LEU   3  -4.504 -14.317 -14.317
  602    H    LEU   4            HN      LEU   4  -8.130 -11.882 -11.882
  603    HA   LEU   4            HA      LEU   4  -7.074 -11.964 -11.964
  604   1HB   LEU   4           HB2      LEU   4  -9.109 -10.369 -10.369
  605   2HB   LEU   4           HB1      LEU   4  -7.875  -9.324  -9.324
  606    HG   LEU   4            HG      LEU   4  -9.671  -9.761  -9.761
  607   1HD1  LEU   4          HD12      LEU   4  -7.165  -9.621  -9.621
  608   2HD1  LEU   4          HD11      LEU   4  -7.273 -11.363 -11.363
  609   3HD1  LEU   4          HD13      LEU   4  -8.278 -10.265 -10.265
  610   1HD2  LEU   4          HD22      LEU   4  -9.909 -12.202 -12.202
  611   2HD2  LEU   4          HD21      LEU   4 -10.458 -11.860 -11.860
  612   3HD2  LEU   4          HD23      LEU   4  -8.891 -12.628 -12.628
  613    HA   PRO   5            HA      PRO   5  -3.455 -10.426 -10.426
  614   1HB   PRO   5           HB2      PRO   5  -1.596 -11.098 -11.098
  615   2HB   PRO   5           HB1      PRO   5  -2.187 -12.224 -12.224
  616   1HG   PRO   5           HG2      PRO   5  -2.868 -12.100 -12.100
  617   2HG   PRO   5           HG1      PRO   5  -2.874 -13.493 -13.493
  618   1HD   PRO   5           HD2      PRO   5  -5.160 -12.069 -12.069
  619   2HD   PRO   5           HD1      PRO   5  -5.087 -13.190 -13.190
  620    H    LYS   6            HN      LYS   6  -3.593  -8.205  -8.205
  621    HA   LYS   6            HA      LYS   6  -3.585  -6.843  -6.843
  622   1HB   LYS   6           HB2      LYS   6  -3.903  -4.786  -4.786
  623   2HB   LYS   6           HB1      LYS   6  -5.121  -6.018  -6.018
  624   1HG   LYS   6           HG2      LYS   6  -2.710  -6.273  -6.273
  625   2HG   LYS   6           HG1      LYS   6  -3.584  -4.760  -4.760
  626   1HD   LYS   6           HD2      LYS   6  -5.496  -5.823  -5.823
  627   2HD   LYS   6           HD1      LYS   6  -5.156  -7.305  -7.305
  628   1HE   LYS   6           HE2      LYS   6  -3.275  -7.785  -7.785
  629   2HE   LYS   6           HE1      LYS   6  -3.673  -6.331  -6.331
  630   1HZ   LYS   6           HZ2      LYS   6  -6.019  -7.415  -7.415
  631   2HZ   LYS   6           HZ1      LYS   6  -5.163  -8.852  -8.852
  632   3HZ   LYS   6           HZ3      LYS   6  -4.816  -7.927  -7.927
  633    H    LEU   7            HN      LEU   7  -1.203  -8.063  -8.063
  634    HA   LEU   7            HA      LEU   7   1.118  -7.696  -7.696
  635   1HB   LEU   7           HB2      LEU   7   0.004  -4.891  -4.891
  636   2HB   LEU   7           HB1      LEU   7   1.739  -5.187  -5.187
  637    HG   LEU   7            HG      LEU   7   0.887  -5.063  -5.063
  638   1HD1  LEU   7          HD12      LEU   7   2.607  -6.899  -6.899
  639   2HD1  LEU   7          HD11      LEU   7   1.342  -7.995  -7.995
  640   3HD1  LEU   7          HD13      LEU   7   2.090  -6.862  -6.862
  641   1HD2  LEU   7          HD22      LEU   7  -1.451  -5.841  -5.841
  642   2HD2  LEU   7          HD21      LEU   7  -0.798  -6.576  -6.576
  643   3HD2  LEU   7          HD23      LEU   7  -0.819  -7.487  -7.487
  644    HA   PRO   8            HA      PRO   8   1.355  -7.047  -7.047
  645   1HB   PRO   8           HB2      PRO   8   3.238  -8.997  -8.997
  646   2HB   PRO   8           HB1      PRO   8   1.493  -9.303  -9.303
  647   1HG   PRO   8           HG2      PRO   8   3.593  -9.926  -9.926
  648   2HG   PRO   8           HG1      PRO   8   2.048 -10.739 -10.739
  649   1HD   PRO   8           HD2      PRO   8   2.551  -8.913  -8.913
  650   2HD   PRO   8           HD1      PRO   8   0.946  -9.432  -9.432
  651    HA   PRO   9            HA      PRO   9   5.082  -4.602  -4.602
  652   1HB   PRO   9           HB2      PRO   9   5.200  -3.791  -3.791
  653   2HB   PRO   9           HB1      PRO   9   4.062  -3.116  -3.116
  654   1HG   PRO   9           HG2      PRO   9   3.526  -4.994  -4.994
  655   2HG   PRO   9           HG1      PRO   9   2.418  -3.877  -3.877
  656   1HD   PRO   9           HD2      PRO   9   2.604  -6.692  -6.692
  657   2HD   PRO   9           HD1      PRO   9   1.661  -5.533  -5.533
  658    H    LYS  10            HN      LYS  10   4.794  -7.418  -7.418
  659    HA   LYS  10            HA      LYS  10   6.393  -8.872  -8.872
  660   1HB   LYS  10           HB2      LYS  10   7.534  -9.053  -9.053
  661   2HB   LYS  10           HB1      LYS  10   7.963  -7.355  -7.355
  662   1HG   LYS  10           HG2      LYS  10   9.157  -8.823  -8.823
  663   2HG   LYS  10           HG1      LYS  10   9.679  -9.401  -9.401
  664   1HD   LYS  10           HD2      LYS  10  10.155  -6.996  -6.996
  665   2HD   LYS  10           HD1      LYS  10   9.855  -6.566  -6.566
  666   1HE   LYS  10           HE2      LYS  10  11.928  -7.212  -7.212
  667   2HE   LYS  10           HE1      LYS  10  11.683  -8.806  -8.806
  668   1HZ   LYS  10           HZ2      LYS  10  12.112  -7.696  -7.696
  669   2HZ   LYS  10           HZ1      LYS  10  12.654  -6.344  -6.344
  670   3HZ   LYS  10           HZ3      LYS  10  13.454  -7.831  -7.831
  671    H    THR  11            HN      THR  11   7.777  -8.907  -8.907
  672    HA   THR  11            HA      THR  11   8.444  -6.206  -6.206
  673    HB   THR  11            HB      THR  11   7.884  -8.495  -8.495
  674    HG1  THR  11           HG1      THR  11   5.787  -8.455  -8.455
  675   1HG2  THR  11          HG21      THR  11   8.606  -6.143  -6.143
  676   2HG2  THR  11          HG23      THR  11   7.018  -5.604  -5.604
  677   3HG2  THR  11          HG22      THR  11   7.151  -6.756  -6.756
  678    H    TYR  12            HN      TYR  12  10.292  -7.770  -7.770
  679    HA   TYR  12            HA      TYR  12  12.492  -8.569  -8.569
  680   1HB   TYR  12           HB2      TYR  12  12.162  -6.827  -6.827
  681   2HB   TYR  12           HB1      TYR  12  13.562  -7.899  -7.899
  682    HD1  TYR  12           HD2      TYR  12  15.037  -7.920  -7.920
  683    HD2  TYR  12           HD1      TYR  12  12.220  -4.813  -4.813
  684    HE1  TYR  12           HE2      TYR  12  16.210  -6.389  -6.389
  685    HE2  TYR  12           HE1      TYR  12  13.395  -3.282  -3.282
  686    HH   TYR  12            HH      TYR  12  15.719  -4.372  -4.372
  687    H    LYS  13            HN      LYS  13  12.166  -8.969  -8.969
  688    HA   LYS  13            HA      LYS  13  11.273 -11.688 -11.688
  689   1HB   LYS  13           HB2      LYS  13  13.444 -12.831 -12.831
  690   2HB   LYS  13           HB1      LYS  13  13.392 -12.084 -12.084
  691   1HG   LYS  13           HG2      LYS  13  14.389 -10.163 -10.163
  692   2HG   LYS  13           HG1      LYS  13  15.322 -11.655 -11.655
  693   1HD   LYS  13           HD2      LYS  13  16.157 -11.474 -11.474
  694   2HD   LYS  13           HD1      LYS  13  14.732 -10.625 -10.625
  695   1HE   LYS  13           HE2      LYS  13  15.572  -8.578  -8.578
  696   2HE   LYS  13           HE1      LYS  13  16.263  -9.153  -9.153
  697   1HZ   LYS  13           HZ1      LYS  13  17.946 -10.336 -10.336
  698   2HZ   LYS  13           HZ3      LYS  13  17.396  -9.346  -9.346
  699   3HZ   LYS  13           HZ2      LYS  13  18.087  -8.648  -8.648
  700    H    ARG  14            HN      ARG  14  12.716 -12.703 -12.703
  701    HA   ARG  14            HA      ARG  14  12.407 -10.595 -10.595
  702   1HB   ARG  14           HB2      ARG  14  11.516 -12.353 -12.353
  703   2HB   ARG  14           HB1      ARG  14  10.476 -12.105 -12.105
  704   1HG   ARG  14           HG2      ARG  14  10.596 -14.373 -14.373
  705   2HG   ARG  14           HG1      ARG  14  12.159 -14.048 -14.048
  706   1HD   ARG  14           HD2      ARG  14  12.439 -15.731 -15.731
  707   2HD   ARG  14           HD1      ARG  14  13.221 -14.239 -14.239
  708    HE   ARG  14            HE      ARG  14  10.736 -13.979 -13.979
  709   1HH1  ARG  14          HH11      ARG  14  10.292 -16.878 -16.878
  710   2HH1  ARG  14          HH12      ARG  14  11.033 -17.402 -17.402
  711   1HH2  ARG  14          HH21      ARG  14  12.887 -14.502 -14.502
  712   2HH2  ARG  14          HH22      ARG  14  12.501 -16.058 -16.058
  713    H    GLU  15            HN      GLU  15  13.385 -11.785 -11.785
  714    HA   GLU  15            HA      GLU  15  16.206 -11.878 -11.878
  715   1HB   GLU  15           HB2      GLU  15  15.037 -11.364 -11.364
  716   2HB   GLU  15           HB1      GLU  15  14.719 -13.092 -13.092
  717   1HG   GLU  15           HG2      GLU  15  17.356 -13.206 -13.206
  718   2HG   GLU  15           HG1      GLU  15  17.292 -11.612 -11.612

  Start of MODEL   18
    1   1H    GLY  -8           HT1      GLY  -8  15.243  -6.444  -6.444
    2   2H    GLY  -8           HT3      GLY  -8  15.937  -5.922  -5.922
    3   3H    GLY  -8           HT2      GLY  -8  14.262  -6.184  -6.184
    4   1HA   GLY  -8           HA1      GLY  -8  14.299  -3.982  -3.982
    5   2HA   GLY  -8           HA2      GLY  -8  15.984  -3.835  -3.835
    6    H    SER  -7            HN      SER  -7  14.513  -2.145  -2.145
    7    HA   SER  -7            HA      SER  -7  13.144  -1.347  -1.347
    8   1HB   SER  -7           HB2      SER  -7  13.689  -4.176  -4.176
    9   2HB   SER  -7           HB1      SER  -7  12.593  -3.160  -3.160
   10    HG   SER  -7            HG      SER  -7  15.048  -3.184  -3.184
   11    H    ARG  -6            HN      ARG  -6  11.629  -4.564  -4.564
   12    HA   ARG  -6            HA      ARG  -6   9.451  -5.260  -5.260
   13   1HB   ARG  -6           HB2      ARG  -6  10.308  -4.398  -4.398
   14   2HB   ARG  -6           HB1      ARG  -6   9.232  -3.035  -3.035
   15   1HG   ARG  -6           HG2      ARG  -6   7.915  -4.624  -4.624
   16   2HG   ARG  -6           HG1      ARG  -6   7.412  -4.770  -4.770
   17   1HD   ARG  -6           HD2      ARG  -6   7.781  -6.996  -6.996
   18   2HD   ARG  -6           HD1      ARG  -6   9.456  -6.556  -6.556
   19    HE   ARG  -6            HE      ARG  -6   9.175  -6.124  -6.124
   20   1HH1  ARG  -6          HH11      ARG  -6   7.289  -8.544  -8.544
   21   2HH1  ARG  -6          HH12      ARG  -6   8.193  -9.858  -9.858
   22   1HH2  ARG  -6          HH21      ARG  -6  10.931  -7.897  -7.897
   23   2HH2  ARG  -6          HH22      ARG  -6  10.255  -9.492  -9.492
   24    H    ARG  -5            HN      ARG  -5   8.089  -4.784  -4.784
   25    HA   ARG  -5            HA      ARG  -5   7.115  -1.962  -1.962
   26   1HB   ARG  -5           HB2      ARG  -5   7.813  -4.027  -4.027
   27   2HB   ARG  -5           HB1      ARG  -5   6.571  -2.831  -2.831
   28   1HG   ARG  -5           HG2      ARG  -5   8.064  -1.033  -1.033
   29   2HG   ARG  -5           HG1      ARG  -5   9.209  -1.953  -1.953
   30   1HD   ARG  -5           HD2      ARG  -5   9.469  -3.462  -3.462
   31   2HD   ARG  -5           HD1      ARG  -5   8.705  -2.139  -2.139
   32    HE   ARG  -5            HE      ARG  -5  11.056  -1.456  -1.456
   33   1HH1  ARG  -5          HH11      ARG  -5   9.420  -0.500  -0.500
   34   2HH1  ARG  -5          HH12      ARG  -5  10.774  -0.445  -0.445
   35   1HH2  ARG  -5          HH21      ARG  -5  12.918  -2.075  -2.075
   36   2HH2  ARG  -5          HH22      ARG  -5  12.754  -1.335  -1.335
   37    H    ALA  -4            HN      ALA  -4   5.030  -1.781  -1.781
   38    HA   ALA  -4            HA      ALA  -4   3.161  -4.028  -4.028
   39   1HB   ALA  -4           HB3      ALA  -4   3.935  -3.927  -3.927
   40   2HB   ALA  -4           HB2      ALA  -4   3.003  -2.433  -2.433
   41   3HB   ALA  -4           HB1      ALA  -4   2.194  -3.951  -3.951
   42    H    SER  -3            HN      SER  -3   0.799  -3.030  -3.030
   43    HA   SER  -3            HA      SER  -3   0.631  -0.441  -0.441
   44   1HB   SER  -3           HB2      SER  -3  -0.573  -2.140  -2.140
   45   2HB   SER  -3           HB1      SER  -3  -1.319  -2.738  -2.738
   46    HG   SER  -3            HG      SER  -3  -2.129  -0.778  -0.778
   47    H    VAL  -2            HN      VAL  -2  -0.641   1.236   1.236
   48    HA   VAL  -2            HA      VAL  -2  -0.764   1.417   1.417
   49    HB   VAL  -2            HB      VAL  -2  -2.391   3.017   3.017
   50   1HG1  VAL  -2          HG11      VAL  -2  -1.469   3.483   3.483
   51   2HG1  VAL  -2          HG13      VAL  -2  -2.057   4.782   4.782
   52   3HG1  VAL  -2          HG12      VAL  -2  -3.126   3.447   3.447
   53   1HG2  VAL  -2          HG21      VAL  -2   0.506   3.027   3.027
   54   2HG2  VAL  -2          HG23      VAL  -2  -0.272   3.441   3.441
   55   3HG2  VAL  -2          HG22      VAL  -2  -0.281   4.594   4.594
   56    H    GLY  -1            HN      GLY  -1  -2.171   0.414   0.414
   57   1HA   GLY  -1           HA2      GLY  -1  -4.970   0.446   0.446
   58   2HA   GLY  -1           HA1      GLY  -1  -4.456  -1.046  -1.046
   59    H    SER   0            HN      SER   0  -2.397  -1.925  -1.925
   60    HA   SER   0            HA      SER   0  -1.793  -3.018  -3.018
   61   1HB   SER   0           HB2      SER   0  -3.567  -1.437  -1.437
   62   2HB   SER   0           HB1      SER   0  -1.843  -1.767  -1.767
   63    HG   SER   0            HG      SER   0  -2.739   0.478   0.478
   64    H    MET   1            HN      MET   1  -3.031  -3.947  -3.947
   65    HA   MET   1            HA      MET   1  -5.575  -5.145  -5.145
   66   1HB   MET   1           HB2      MET   1  -3.157  -6.390  -6.390
   67   2HB   MET   1           HB1      MET   1  -4.731  -7.074  -7.074
   68   1HG   MET   1           HG2      MET   1  -3.965  -8.251  -8.251
   69   2HG   MET   1           HG1      MET   1  -5.236  -7.153  -7.153
   70   1HE   MET   1           HE3      MET   1  -2.266  -8.686  -8.686
   71   2HE   MET   1           HE2      MET   1  -1.210  -7.679  -7.679
   72   3HE   MET   1           HE1      MET   1  -1.155  -7.543  -7.543
   73    H    GLU   2            HN      GLU   2  -6.463  -6.427  -6.427
   74    HA   GLU   2            HA      GLU   2  -6.602  -4.265  -4.265
   75   1HB   GLU   2           HB2      GLU   2  -8.654  -5.378  -5.378
   76   2HB   GLU   2           HB1      GLU   2  -8.867  -6.066  -6.066
   77   1HG   GLU   2           HG2      GLU   2  -9.246  -3.991  -3.991
   78   2HG   GLU   2           HG1      GLU   2  -8.361  -3.124  -3.124
   79    H    ALA   3            HN      ALA   3  -7.509  -5.417  -5.417
   80    HA   ALA   3            HA      ALA   3  -6.593  -8.157  -8.157
   81   1HB   ALA   3           HB1      ALA   3  -5.238  -5.861  -5.861
   82   2HB   ALA   3           HB3      ALA   3  -5.106  -7.530  -7.530
   83   3HB   ALA   3           HB2      ALA   3  -4.517  -7.081  -7.081
   84    H    ILE   4            HN      ILE   4  -8.157  -9.039  -9.039
   85    HA   ILE   4            HA      ILE   4 -10.197  -7.670  -7.670
   86    HB   ILE   4            HB      ILE   4 -10.601  -9.808  -9.808
   87   1HG1  ILE   4          HG12      ILE   4 -10.682 -10.744 -10.744
   88   2HG1  ILE   4          HG11      ILE   4 -11.321  -9.112  -9.112
   89   1HG2  ILE   4          HG21      ILE   4  -8.059 -10.441 -10.441
   90   2HG2  ILE   4          HG23      ILE   4  -9.244 -11.596 -11.596
   91   3HG2  ILE   4          HG22      ILE   4  -9.036 -11.385 -11.385
   92   1HD1  ILE   4          HD13      ILE   4 -12.098 -11.334 -11.334
   93   2HD1  ILE   4          HD12      ILE   4 -12.936 -11.065 -11.065
   94   3HD1  ILE   4          HD11      ILE   4 -12.918  -9.804  -9.804
   95    H    ALA   5            HN      ALA   5 -10.227  -6.764  -6.764
   96    HA   ALA   5            HA      ALA   5  -8.078  -7.078  -7.078
   97   1HB   ALA   5           HB2      ALA   5 -10.799  -5.745  -5.745
   98   2HB   ALA   5           HB1      ALA   5  -9.783  -5.883  -5.883
   99   3HB   ALA   5           HB3      ALA   5  -9.207  -4.982  -4.982
  100    H    LYS   6            HN      LYS   6  -7.930  -9.172  -9.172
  101    HA   LYS   6            HA      LYS   6 -10.042 -11.014 -11.014
  102   1HB   LYS   6           HB2      LYS   6  -7.430 -10.826 -10.826
  103   2HB   LYS   6           HB1      LYS   6  -8.481 -12.242 -12.242
  104   1HG   LYS   6           HG2      LYS   6  -8.113 -12.591 -12.591
  105   2HG   LYS   6           HG1      LYS   6  -7.465 -10.967 -10.967
  106   1HD   LYS   6           HD2      LYS   6  -5.621 -12.540 -12.540
  107   2HD   LYS   6           HD1      LYS   6  -5.538 -11.588 -11.588
  108   1HE   LYS   6           HE2      LYS   6  -5.267 -13.731 -13.731
  109   2HE   LYS   6           HE1      LYS   6  -7.020 -13.573 -13.573
  110   1HZ   LYS   6           HZ3      LYS   6  -7.004 -14.551 -14.551
  111   2HZ   LYS   6           HZ2      LYS   6  -5.407 -15.024 -15.024
  112   3HZ   LYS   6           HZ1      LYS   6  -6.687 -15.602 -15.602
  113    H    TYR   7            HN      TYR   7  -8.911  -8.496  -8.496
  114    HA   TYR   7            HA      TYR   7 -11.263  -9.031  -9.031
  115   1HB   TYR   7           HB2      TYR   7  -8.587  -8.505  -8.505
  116   2HB   TYR   7           HB1      TYR   7 -10.036  -9.146  -9.146
  117    HD1  TYR   7           HD2      TYR   7  -7.480  -9.958  -9.958
  118    HD2  TYR   7           HD1      TYR   7 -10.237 -11.442 -11.442
  119    HE1  TYR   7           HE2      TYR   7  -6.609 -12.242 -12.242
  120    HE2  TYR   7           HE1      TYR   7  -9.374 -13.746 -13.746
  121    HH   TYR   7            HH      TYR   7  -6.704 -14.552 -14.552
  122    H    ASP   8            HN      ASP   8 -10.918  -7.260  -7.260
  123    HA   ASP   8            HA      ASP   8 -11.091  -4.736  -4.736
  124   1HB   ASP   8           HB2      ASP   8 -12.053  -3.880  -3.880
  125   2HB   ASP   8           HB1      ASP   8 -12.744  -5.479  -5.479
  126    H    PHE   9            HN      PHE   9  -9.942  -2.800  -2.800
  127    HA   PHE   9            HA      PHE   9  -7.662  -3.001  -3.001
  128   1HB   PHE   9           HB2      PHE   9  -6.681  -4.369  -4.369
  129   2HB   PHE   9           HB1      PHE   9  -7.217  -3.258  -3.258
  130    HD1  PHE   9           HD2      PHE   9  -6.152  -1.099  -1.099
  131    HD2  PHE   9           HD1      PHE   9  -4.716  -3.916  -3.916
  132    HE1  PHE   9           HE2      PHE   9  -4.005   0.159   0.159
  133    HE2  PHE   9           HE1      PHE   9  -2.577  -2.674  -2.674
  134    HZ   PHE   9            HZ      PHE   9  -2.220  -0.632  -0.632
  135    H    LYS  10            HN      LYS  10  -6.351  -0.868  -0.868
  136    HA   LYS  10            HA      LYS  10  -7.804   1.283   1.283
  137   1HB   LYS  10           HB2      LYS  10  -7.799   0.883   0.883
  138   2HB   LYS  10           HB1      LYS  10  -7.225   2.484   2.484
  139   1HG   LYS  10           HG2      LYS  10  -9.239   2.926   2.926
  140   2HG   LYS  10           HG1      LYS  10  -9.784   1.258   1.258
  141   1HD   LYS  10           HD2      LYS  10 -10.998   2.382   2.382
  142   2HD   LYS  10           HD1      LYS  10  -9.615   1.747   1.747
  143   1HE   LYS  10           HE2      LYS  10  -8.489   3.873   3.873
  144   2HE   LYS  10           HE1      LYS  10  -9.672   4.524   4.524
  145   1HZ   LYS  10           HZ2      LYS  10 -11.376   4.148   4.148
  146   2HZ   LYS  10           HZ1      LYS  10 -10.118   3.778   3.778
  147   3HZ   LYS  10           HZ3      LYS  10 -10.216   5.325   5.325
  148    H    ALA  11            HN      ALA  11  -6.591   3.103   3.103
  149    HA   ALA  11            HA      ALA  11  -3.857   2.629   2.629
  150   1HB   ALA  11           HB1      ALA  11  -5.307   4.336   4.336
  151   2HB   ALA  11           HB3      ALA  11  -5.100   5.366   5.366
  152   3HB   ALA  11           HB2      ALA  11  -3.692   4.907   4.907
  153    H    THR  12            HN      THR  12  -2.076   2.920   2.920
  154    HA   THR  12            HA      THR  12  -2.543   4.168   4.168
  155    HB   THR  12            HB      THR  12  -0.427   2.753   2.753
  156    HG1  THR  12           HG1      THR  12  -1.431   1.334   1.334
  157   1HG2  THR  12          HG21      THR  12  -3.107   1.474   1.474
  158   2HG2  THR  12          HG23      THR  12  -1.864   0.777   0.777
  159   3HG2  THR  12          HG22      THR  12  -2.654   2.285   2.285
  160    H    ALA  13            HN      ALA  13  -1.914   5.800   5.800
  161    HA   ALA  13            HA      ALA  13   0.219   7.395   7.395
  162   1HB   ALA  13           HB3      ALA  13   1.032   5.279   5.279
  163   2HB   ALA  13           HB2      ALA  13   1.806   6.867   6.867
  164   3HB   ALA  13           HB1      ALA  13   1.911   5.878   5.878
  165    H    ASP  14            HN      ASP  14   0.915   8.985   8.985
  166    HA   ASP  14            HA      ASP  14  -1.365  10.030  10.030
  167   1HB   ASP  14           HB2      ASP  14   0.720  11.137  11.137
  168   2HB   ASP  14           HB1      ASP  14   1.448  10.868  10.868
  169    H    ASP  15            HN      ASP  15   0.943   7.664   7.664
  170    HA   ASP  15            HA      ASP  15   0.209   7.992   7.992
  171   1HB   ASP  15           HB2      ASP  15   2.615   8.525   8.525
  172   2HB   ASP  15           HB1      ASP  15   2.804   6.850   6.850
  173    H    GLU  16            HN      GLU  16  -0.976   6.325   6.325
  174    HA   GLU  16            HA      GLU  16  -0.487   3.632   3.632
  175   1HB   GLU  16           HB2      GLU  16  -0.167   4.109   4.109
  176   2HB   GLU  16           HB1      GLU  16  -1.925   4.140   4.140
  177   1HG   GLU  16           HG2      GLU  16  -2.075   1.899   1.899
  178   2HG   GLU  16           HG1      GLU  16  -0.944   1.858   1.858
  179    H    LEU  17            HN      LEU  17  -2.581   2.252   2.252
  180    HA   LEU  17            HA      LEU  17  -4.804   4.026   4.026
  181   1HB   LEU  17           HB2      LEU  17  -3.703   2.689   2.689
  182   2HB   LEU  17           HB1      LEU  17  -4.164   1.228   1.228
  183    HG   LEU  17            HG      LEU  17  -6.567   1.971   1.971
  184   1HD1  LEU  17          HD11      LEU  17  -5.432   4.398   4.398
  185   2HD1  LEU  17          HD13      LEU  17  -6.035   3.741   3.741
  186   3HD1  LEU  17          HD12      LEU  17  -7.132   3.963   3.963
  187   1HD2  LEU  17          HD22      LEU  17  -4.806   1.206   1.206
  188   2HD2  LEU  17          HD21      LEU  17  -6.171   0.340   0.340
  189   3HD2  LEU  17          HD23      LEU  17  -6.457   1.690   1.690
  190    H    SER  18            HN      SER  18  -6.939   3.492   3.492
  191    HA   SER  18            HA      SER  18  -7.306   1.625   1.625
  192   1HB   SER  18           HB2      SER  18  -9.210   3.703   3.703
  193   2HB   SER  18           HB1      SER  18  -8.922   3.039   3.039
  194    HG   SER  18            HG      SER  18  -8.024   5.099   5.099
  195    H    PHE  19            HN      PHE  19  -9.083   0.151   0.151
  196    HA   PHE  19            HA      PHE  19 -11.072   0.196   0.196
  197   1HB   PHE  19           HB2      PHE  19 -10.329  -1.701  -1.701
  198   2HB   PHE  19           HB1      PHE  19  -9.150  -0.399  -0.399
  199    HD1  PHE  19           HD1      PHE  19  -9.916  -3.649  -3.649
  200    HD2  PHE  19           HD2      PHE  19  -6.910  -0.727  -0.727
  201    HE1  PHE  19           HE1      PHE  19  -8.150  -5.213  -5.213
  202    HE2  PHE  19           HE2      PHE  19  -5.145  -2.285  -2.285
  203    HZ   PHE  19            HZ      PHE  19  -5.765  -4.529  -4.529
  204    H    LYS  20            HN      LYS  20 -12.409  -1.854  -1.854
  205    HA   LYS  20            HA      LYS  20 -12.150  -3.131  -3.131
  206   1HB   LYS  20           HB2      LYS  20 -14.646  -2.650  -2.650
  207   2HB   LYS  20           HB1      LYS  20 -14.582  -3.345  -3.345
  208   1HG   LYS  20           HG2      LYS  20 -13.279  -0.701  -0.701
  209   2HG   LYS  20           HG1      LYS  20 -15.038  -0.753  -0.753
  210   1HD   LYS  20           HD2      LYS  20 -13.599  -2.279  -2.279
  211   2HD   LYS  20           HD1      LYS  20 -13.496  -0.522  -0.522
  212   1HE   LYS  20           HE2      LYS  20 -15.450  -1.473  -1.473
  213   2HE   LYS  20           HE1      LYS  20 -15.917  -0.324  -0.324
  214   1HZ   LYS  20           HZ1      LYS  20 -15.887  -3.274  -3.274
  215   2HZ   LYS  20           HZ3      LYS  20 -17.274  -2.347  -2.347
  216   3HZ   LYS  20           HZ2      LYS  20 -16.417  -2.141  -2.141
  217    H    ARG  21            HN      ARG  21 -13.685  -5.204  -5.204
  218    HA   ARG  21            HA      ARG  21 -12.355  -7.102  -7.102
  219   1HB   ARG  21           HB2      ARG  21 -13.343  -7.501  -7.501
  220   2HB   ARG  21           HB1      ARG  21 -14.935  -7.439  -7.439
  221   1HG   ARG  21           HG2      ARG  21 -14.461  -9.351  -9.351
  222   2HG   ARG  21           HG1      ARG  21 -12.749  -9.310  -9.310
  223   1HD   ARG  21           HD2      ARG  21 -13.223 -10.703 -10.703
  224   2HD   ARG  21           HD1      ARG  21 -14.115  -9.372  -9.372
  225    HE   ARG  21            HE      ARG  21 -16.163 -10.256 -10.256
  226   1HH1  ARG  21          HH11      ARG  21 -13.625 -12.020 -12.020
  227   2HH1  ARG  21          HH12      ARG  21 -14.345 -13.576 -13.576
  228   1HH2  ARG  21          HH21      ARG  21 -16.980 -12.354 -12.354
  229   2HH2  ARG  21          HH22      ARG  21 -16.245 -13.764 -13.764
  230    H    GLY  22            HN      GLY  22 -12.784  -7.222  -7.222
  231   1HA   GLY  22           HA2      GLY  22 -14.385  -7.941  -7.941
  232   2HA   GLY  22           HA1      GLY  22 -15.640  -7.052  -7.052
  233    H    ASP  23            HN      ASP  23 -13.080  -5.030  -5.030
  234    HA   ASP  23            HA      ASP  23 -13.930  -3.476  -3.476
  235   1HB   ASP  23           HB2      ASP  23 -13.130  -2.863  -2.863
  236   2HB   ASP  23           HB1      ASP  23 -11.847  -2.265  -2.265
  237    H    ILE  24            HN      ILE  24 -12.902  -4.145  -4.145
  238    HA   ILE  24            HA      ILE  24 -10.166  -5.172  -5.172
  239    HB   ILE  24            HB      ILE  24 -11.709  -4.589  -4.589
  240   1HG1  ILE  24          HG12      ILE  24 -12.050  -6.841  -6.841
  241   2HG1  ILE  24          HG11      ILE  24 -13.304  -5.829  -5.829
  242   1HG2  ILE  24          HG23      ILE  24  -9.184  -5.443  -5.443
  243   2HG2  ILE  24          HG22      ILE  24 -10.010  -6.991  -6.991
  244   3HG2  ILE  24          HG21      ILE  24 -10.162  -5.994  -5.994
  245   1HD1  ILE  24          HD11      ILE  24 -12.167  -7.014  -7.014
  246   2HD1  ILE  24          HD13      ILE  24 -12.095  -8.299  -8.299
  247   3HD1  ILE  24          HD12      ILE  24 -13.643  -7.557  -7.557
  248    H    LEU  25            HN      LEU  25  -8.350  -4.070  -4.070
  249    HA   LEU  25            HA      LEU  25  -8.578  -1.160  -1.160
  250   1HB   LEU  25           HB2      LEU  25  -5.985  -2.655  -2.655
  251   2HB   LEU  25           HB1      LEU  25  -6.341  -0.969  -0.969
  252    HG   LEU  25            HG      LEU  25  -6.374  -1.883  -1.883
  253   1HD1  LEU  25          HD11      LEU  25  -8.825  -1.112  -1.112
  254   2HD1  LEU  25          HD13      LEU  25  -9.187  -2.685  -2.685
  255   3HD1  LEU  25          HD12      LEU  25  -8.467  -1.434  -1.434
  256   1HD2  LEU  25          HD22      LEU  25  -6.415  -4.300  -4.300
  257   2HD2  LEU  25          HD21      LEU  25  -6.564  -4.098  -4.098
  258   3HD2  LEU  25          HD23      LEU  25  -8.012  -4.296  -4.296
  259    H    LYS  26            HN      LYS  26  -6.999  -0.099  -0.099
  260    HA   LYS  26            HA      LYS  26  -6.787  -1.780  -1.780
  261   1HB   LYS  26           HB2      LYS  26  -7.891   0.710   0.710
  262   2HB   LYS  26           HB1      LYS  26  -6.245   1.133   1.133
  263   1HG   LYS  26           HG2      LYS  26  -6.482   0.262   0.262
  264   2HG   LYS  26           HG1      LYS  26  -7.544  -1.037  -1.037
  265   1HD   LYS  26           HD2      LYS  26  -8.447   1.846   1.846
  266   2HD   LYS  26           HD1      LYS  26  -8.614   0.801   0.801
  267   1HE   LYS  26           HE2      LYS  26  -9.986  -0.762  -0.762
  268   2HE   LYS  26           HE1      LYS  26  -9.698   0.115   0.115
  269   1HZ   LYS  26           HZ3      LYS  26 -10.972   1.357   1.357
  270   2HZ   LYS  26           HZ2      LYS  26 -11.863   0.591   0.591
  271   3HZ   LYS  26           HZ1      LYS  26 -10.916   1.957   1.957
  272    H    VAL  27            HN      VAL  27  -4.758  -2.782  -2.782
  273    HA   VAL  27            HA      VAL  27  -2.537  -1.753  -1.753
  274    HB   VAL  27            HB      VAL  27  -2.257  -3.474  -3.474
  275   1HG1  VAL  27          HG12      VAL  27  -0.239  -2.518  -2.518
  276   2HG1  VAL  27          HG11      VAL  27  -0.733  -3.536  -3.536
  277   3HG1  VAL  27          HG13      VAL  27  -0.277  -4.273  -4.273
  278   1HG2  VAL  27          HG21      VAL  27  -3.558  -4.035  -4.035
  279   2HG2  VAL  27          HG23      VAL  27  -3.741  -4.864  -4.864
  280   3HG2  VAL  27          HG22      VAL  27  -2.364  -5.232  -5.232
  281    H    LEU  28            HN      LEU  28  -1.570   0.083   0.083
  282    HA   LEU  28            HA      LEU  28  -1.413   1.450   1.450
  283   1HB   LEU  28           HB2      LEU  28  -0.919   2.096   2.096
  284   2HB   LEU  28           HB1      LEU  28   0.092   2.947   2.947
  285    HG   LEU  28            HG      LEU  28  -1.827   3.908   3.908
  286   1HD1  LEU  28          HD12      LEU  28  -3.294   1.877   1.877
  287   2HD1  LEU  28          HD11      LEU  28  -3.567   2.251   2.251
  288   3HD1  LEU  28          HD13      LEU  28  -4.130   3.362   3.362
  289   1HD2  LEU  28          HD23      LEU  28  -2.009   3.962   3.962
  290   2HD2  LEU  28          HD22      LEU  28  -1.182   5.114   5.114
  291   3HD2  LEU  28          HD21      LEU  28  -2.942   5.045   5.045
  292    H    ASN  29            HN      ASN  29   0.626  -0.203  -0.203
  293    HA   ASN  29            HA      ASN  29   2.736  -0.457  -0.457
  294   1HB   ASN  29           HB2      ASN  29   3.202   1.557   1.557
  295   2HB   ASN  29           HB1      ASN  29   3.408   0.409   0.409
  296   1HD2  ASN  29          HD22      ASN  29   6.614   1.092   1.092
  297   2HD2  ASN  29          HD21      ASN  29   5.373   2.183   2.183
  298    H    GLU  30            HN      GLU  30   3.239  -2.571  -2.571
  299    HA   GLU  30            HA      GLU  30   2.783  -4.282  -4.282
  300   1HB   GLU  30           HB2      GLU  30   3.027  -6.177  -6.177
  301   2HB   GLU  30           HB1      GLU  30   1.688  -5.092  -5.092
  302   1HG   GLU  30           HG2      GLU  30   2.898  -4.026  -4.026
  303   2HG   GLU  30           HG1      GLU  30   4.428  -4.683  -4.683
  304    H    GLU  31            HN      GLU  31   4.849  -2.778  -2.778
  305    HA   GLU  31            HA      GLU  31   7.193  -4.589  -4.589
  306   1HB   GLU  31           HB2      GLU  31   7.272  -1.594  -1.594
  307   2HB   GLU  31           HB1      GLU  31   8.648  -2.692  -2.692
  308   1HG   GLU  31           HG2      GLU  31   7.278  -3.967  -3.967
  309   2HG   GLU  31           HG1      GLU  31   6.315  -2.494  -2.494
  310    H    CYS  32            HN      CYS  32   9.018  -3.135  -3.135
  311    HA   CYS  32            HA      CYS  32   9.671  -2.387  -2.387
  312   1HB   CYS  32           HB2      CYS  32   6.743  -2.030  -2.030
  313   2HB   CYS  32           HB1      CYS  32   8.133  -1.250  -1.250
  314    HG   CYS  32            HG      CYS  32   6.714   0.121   0.121
  315    H    ASP  33            HN      ASP  33   8.592  -2.922  -2.922
  316    HA   ASP  33            HA      ASP  33   9.398  -5.342  -5.342
  317   1HB   ASP  33           HB2      ASP  33   8.119  -3.453  -3.453
  318   2HB   ASP  33           HB1      ASP  33   6.753  -4.522  -4.522
  319    H    GLN  34            HN      GLN  34   8.574  -7.391  -7.391
  320    HA   GLN  34            HA      GLN  34   6.683  -8.226  -8.226
  321   1HB   GLN  34           HB2      GLN  34   7.350 -10.531 -10.531
  322   2HB   GLN  34           HB1      GLN  34   8.738  -9.520  -9.520
  323   1HG   GLN  34           HG2      GLN  34   8.306  -9.133  -9.133
  324   2HG   GLN  34           HG1      GLN  34   8.120 -10.861 -10.861
  325   1HE2  GLN  34          HE22      GLN  34  11.571 -11.398 -11.398
  326   2HE2  GLN  34          HE21      GLN  34  10.029 -12.077 -12.077
  327    H    ASN  35            HN      ASN  35   6.075  -6.872  -6.872
  328    HA   ASN  35            HA      ASN  35   3.947  -8.783  -8.783
  329   1HB   ASN  35           HB2      ASN  35   5.689  -7.102  -7.102
  330   2HB   ASN  35           HB1      ASN  35   4.132  -7.732  -7.732
  331   1HD2  ASN  35          HD22      ASN  35   7.031 -10.177 -10.177
  332   2HD2  ASN  35          HD21      ASN  35   6.948  -8.498  -8.498
  333    H    TRP  36            HN      TRP  36   4.637  -5.631  -5.631
  334    HA   TRP  36            HA      TRP  36   1.761  -4.946  -4.946
  335   1HB   TRP  36           HB2      TRP  36   3.852  -2.878  -2.878
  336   2HB   TRP  36           HB1      TRP  36   2.098  -2.698  -2.698
  337    HD1  TRP  36           HD1      TRP  36   4.648  -5.211  -5.211
  338    HE1  TRP  36           HE1      TRP  36   4.090  -5.421  -5.421
  339    HE3  TRP  36           HE3      TRP  36   0.559  -2.052  -2.052
  340    HZ2  TRP  36           HZ2      TRP  36   2.266  -4.404  -4.404
  341    HZ3  TRP  36           HZ3      TRP  36  -0.496  -1.692  -1.692
  342    HH2  TRP  36           HH2      TRP  36   0.336  -2.869  -2.869
  343    H    TYR  37            HN      TYR  37   1.041  -3.940  -3.940
  344    HA   TYR  37            HA      TYR  37   3.042  -3.260  -3.260
  345   1HB   TYR  37           HB2      TYR  37   0.035  -3.628  -3.628
  346   2HB   TYR  37           HB1      TYR  37   1.220  -3.523  -3.523
  347    HD1  TYR  37           HD1      TYR  37   3.329  -5.377  -5.377
  348    HD2  TYR  37           HD2      TYR  37  -0.934  -5.683  -5.683
  349    HE1  TYR  37           HE1      TYR  37   3.496  -7.852  -7.852
  350    HE2  TYR  37           HE2      TYR  37  -0.792  -8.143  -8.143
  351    HH   TYR  37            HH      TYR  37   1.232  -9.821  -9.821
  352    H    LYS  38            HN      LYS  38   1.305  -1.634  -1.634
  353    HA   LYS  38            HA      LYS  38   0.638   0.705   0.705
  354   1HB   LYS  38           HB2      LYS  38   2.685   1.053   1.053
  355   2HB   LYS  38           HB1      LYS  38   1.633   0.787   0.787
  356   1HG   LYS  38           HG2      LYS  38   0.136   2.613   2.613
  357   2HG   LYS  38           HG1      LYS  38   1.632   3.054   3.054
  358   1HD   LYS  38           HD2      LYS  38   2.056   2.619   2.619
  359   2HD   LYS  38           HD1      LYS  38   0.851   3.870   3.870
  360   1HE   LYS  38           HE2      LYS  38   2.475   4.930   4.930
  361   2HE   LYS  38           HE1      LYS  38   3.686   3.776   3.776
  362   1HZ   LYS  38           HZ2      LYS  38   2.984   4.646   4.646
  363   2HZ   LYS  38           HZ1      LYS  38   2.422   5.995   5.995
  364   3HZ   LYS  38           HZ3      LYS  38   4.059   5.558   5.558
  365    H    ALA  39            HN      ALA  39  -1.408   1.759   1.759
  366    HA   ALA  39            HA      ALA  39  -2.789   0.855   0.855
  367   1HB   ALA  39           HB2      ALA  39  -3.648  -0.497  -0.497
  368   2HB   ALA  39           HB1      ALA  39  -4.526  -0.572  -0.572
  369   3HB   ALA  39           HB3      ALA  39  -2.920  -1.296  -1.296
  370    H    GLU  40            HN      GLU  40  -5.292   1.113   1.113
  371    HA   GLU  40            HA      GLU  40  -5.794   3.366   3.366
  372   1HB   GLU  40           HB2      GLU  40  -5.446   5.015   5.015
  373   2HB   GLU  40           HB1      GLU  40  -4.586   3.819   3.819
  374   1HG   GLU  40           HG2      GLU  40  -6.637   3.378   3.378
  375   2HG   GLU  40           HG1      GLU  40  -7.542   4.506   4.506
  376    H    LEU  41            HN      LEU  41  -7.783   3.675   3.675
  377    HA   LEU  41            HA      LEU  41  -9.886   2.049   2.049
  378   1HB   LEU  41           HB2      LEU  41  -9.491   2.990   2.990
  379   2HB   LEU  41           HB1      LEU  41 -11.154   2.849   2.849
  380    HG   LEU  41            HG      LEU  41  -9.198   0.663   0.663
  381   1HD1  LEU  41          HD13      LEU  41 -10.527   1.450   1.450
  382   2HD1  LEU  41          HD12      LEU  41 -10.463  -0.268  -0.268
  383   3HD1  LEU  41          HD11      LEU  41  -8.970   0.661   0.661
  384   1HD2  LEU  41          HD23      LEU  41 -11.423   0.797   0.797
  385   2HD2  LEU  41          HD22      LEU  41 -11.245  -0.644  -0.644
  386   3HD2  LEU  41          HD21      LEU  41 -12.190   0.728   0.728
  387    H    ASN  42            HN      ASN  42 -10.537   3.172   3.172
  388    HA   ASN  42            HA      ASN  42 -11.523   4.934   4.934
  389   1HB   ASN  42           HB2      ASN  42 -13.061   4.326   4.326
  390   2HB   ASN  42           HB1      ASN  42 -13.566   5.734   5.734
  391   1HD2  ASN  42          HD22      ASN  42 -15.125   3.759   3.759
  392   2HD2  ASN  42          HD21      ASN  42 -14.960   5.277   5.277
  393    H    GLY  43            HN      GLY  43  -9.404   6.021   6.021
  394   1HA   GLY  43           HA2      GLY  43  -9.327   8.679   8.679
  395   2HA   GLY  43           HA1      GLY  43 -10.541   8.625   8.625
  396    H    LYS  44            HN      LYS  44  -9.404   6.579   6.579
  397    HA   LYS  44            HA      LYS  44  -7.231   8.039   8.039
  398   1HB   LYS  44           HB2      LYS  44  -8.973   5.754   5.754
  399   2HB   LYS  44           HB1      LYS  44  -7.371   5.924   5.924
  400   1HG   LYS  44           HG2      LYS  44  -7.833   8.023   8.023
  401   2HG   LYS  44           HG1      LYS  44  -9.219   8.279   8.279
  402   1HD   LYS  44           HD2      LYS  44 -10.021   7.754   7.754
  403   2HD   LYS  44           HD1      LYS  44 -10.413   6.421   6.421
  404   1HE   LYS  44           HE2      LYS  44  -9.490   5.276   5.276
  405   2HE   LYS  44           HE1      LYS  44  -8.080   5.491   5.491
  406   1HZ   LYS  44           HZ2      LYS  44  -7.834   7.692   7.692
  407   2HZ   LYS  44           HZ1      LYS  44  -8.799   6.913   6.913
  408   3HZ   LYS  44           HZ3      LYS  44  -7.311   6.237   6.237
  409    H    ASP  45            HN      ASP  45  -5.363   6.698   6.698
  410    HA   ASP  45            HA      ASP  45  -4.738   4.434   4.434
  411   1HB   ASP  45           HB2      ASP  45  -3.575   5.332   5.332
  412   2HB   ASP  45           HB1      ASP  45  -4.614   6.700   6.700
  413    H    GLY  46            HN      GLY  46  -2.142   4.194   4.194
  414   1HA   GLY  46           HA2      GLY  46  -0.170   4.806   4.806
  415   2HA   GLY  46           HA1      GLY  46  -1.250   4.751   4.751
  416    H    PHE  47            HN      PHE  47   0.634   3.248   3.248
  417    HA   PHE  47            HA      PHE  47   0.892   0.701   0.701
  418   1HB   PHE  47           HB2      PHE  47   1.785   1.917   1.917
  419   2HB   PHE  47           HB1      PHE  47   1.823   0.159   0.159
  420    HD1  PHE  47           HD2      PHE  47   2.682   3.134   3.134
  421    HD2  PHE  47           HD1      PHE  47   3.788  -0.791  -0.791
  422    HE1  PHE  47           HE2      PHE  47   4.771   3.266   3.266
  423    HE2  PHE  47           HE1      PHE  47   5.877  -0.660  -0.660
  424    HZ   PHE  47            HZ      PHE  47   6.368   1.368   1.368
  425    H    ILE  48            HN      ILE  48   0.108  -1.372  -1.372
  426    HA   ILE  48            HA      ILE  48  -2.060  -1.405  -1.405
  427    HB   ILE  48            HB      ILE  48  -3.305  -2.972  -2.972
  428   1HG1  ILE  48          HG12      ILE  48  -2.085  -1.606  -1.606
  429   2HG1  ILE  48          HG11      ILE  48  -0.989  -2.722  -2.722
  430   1HG2  ILE  48          HG21      ILE  48  -2.946  -0.018  -0.018
  431   2HG2  ILE  48          HG23      ILE  48  -4.133  -0.970  -0.970
  432   3HG2  ILE  48          HG22      ILE  48  -4.250  -0.835  -0.835
  433   1HD1  ILE  48          HD11      ILE  48  -3.794  -3.432  -3.432
  434   2HD1  ILE  48          HD13      ILE  48  -2.328  -3.819  -3.819
  435   3HD1  ILE  48          HD12      ILE  48  -2.602  -4.533  -4.533
  436    HA   PRO  49            HA      PRO  49   0.537  -4.909  -4.909
  437   1HB   PRO  49           HB2      PRO  49  -1.115  -6.024  -6.024
  438   2HB   PRO  49           HB1      PRO  49   0.058  -4.733  -4.733
  439   1HG   PRO  49           HG2      PRO  49  -2.927  -4.546  -4.546
  440   2HG   PRO  49           HG1      PRO  49  -1.847  -3.538  -3.538
  441   1HD   PRO  49           HD2      PRO  49  -2.854  -2.738  -2.738
  442   2HD   PRO  49           HD1      PRO  49  -1.398  -2.093  -2.093
  443    H    LYS  50            HN      LYS  50   0.502  -6.302  -6.302
  444    HA   LYS  50            HA      LYS  50  -1.589  -7.387  -7.387
  445   1HB   LYS  50           HB2      LYS  50   0.658  -7.520  -7.520
  446   2HB   LYS  50           HB1      LYS  50   1.170  -8.449  -8.449
  447   1HG   LYS  50           HG2      LYS  50  -1.054  -9.700  -9.700
  448   2HG   LYS  50           HG1      LYS  50   0.410  -9.523  -9.523
  449   1HD   LYS  50           HD2      LYS  50   1.588 -10.409 -10.409
  450   2HD   LYS  50           HD1      LYS  50  -0.015 -11.103 -11.103
  451   1HE   LYS  50           HE2      LYS  50   0.951 -12.821 -12.821
  452   2HE   LYS  50           HE1      LYS  50   0.221 -11.878 -11.878
  453   1HZ   LYS  50           HZ3      LYS  50   2.487 -10.641 -10.641
  454   2HZ   LYS  50           HZ2      LYS  50   3.041 -12.069 -12.069
  455   3HZ   LYS  50           HZ1      LYS  50   2.355 -12.120 -12.120
  456    H    ASN  51            HN      ASN  51  -0.586  -8.369  -8.369
  457    HA   ASN  51            HA      ASN  51  -1.483 -10.986 -10.986
  458   1HB   ASN  51           HB2      ASN  51  -0.919  -8.937  -8.937
  459   2HB   ASN  51           HB1      ASN  51  -1.847 -10.291 -10.291
  460   1HD2  ASN  51          HD22      ASN  51   2.100 -10.710 -10.710
  461   2HD2  ASN  51          HD21      ASN  51   1.304  -9.211  -9.211
  462    H    TYR  52            HN      TYR  52  -3.156  -8.006  -8.006
  463    HA   TYR  52            HA      TYR  52  -5.746  -9.303  -9.303
  464   1HB   TYR  52           HB2      TYR  52  -4.725  -6.469  -6.469
  465   2HB   TYR  52           HB1      TYR  52  -6.448  -6.791  -6.791
  466    HD1  TYR  52           HD2      TYR  52  -3.399  -8.020  -8.020
  467    HD2  TYR  52           HD1      TYR  52  -7.480  -6.783  -6.783
  468    HE1  TYR  52           HE2      TYR  52  -3.406  -8.370  -8.370
  469    HE2  TYR  52           HE1      TYR  52  -7.475  -7.107  -7.107
  470    HH   TYR  52            HH      TYR  52  -5.171  -8.876  -8.876
  471    H    ILE  53            HN      ILE  53  -4.255  -9.540  -9.540
  472    HA   ILE  53            HA      ILE  53  -6.374  -8.590  -8.590
  473    HB   ILE  53            HB      ILE  53  -3.784  -8.179  -8.179
  474   1HG1  ILE  53          HG12      ILE  53  -3.347  -7.368  -7.368
  475   2HG1  ILE  53          HG11      ILE  53  -3.092  -6.184  -6.184
  476   1HG2  ILE  53          HG22      ILE  53  -5.994  -7.559  -7.559
  477   2HG2  ILE  53          HG21      ILE  53  -6.073  -6.266  -6.266
  478   3HG2  ILE  53          HG23      ILE  53  -4.783  -6.283  -6.283
  479   1HD1  ILE  53          HD12      ILE  53  -5.806  -6.068  -6.068
  480   2HD1  ILE  53          HD11      ILE  53  -4.753  -5.983  -5.983
  481   3HD1  ILE  53          HD13      ILE  53  -4.556  -4.831  -4.831
  482    H    GLU  54            HN      GLU  54  -6.190  -9.476  -9.476
  483    HA   GLU  54            HA      GLU  54  -4.471 -11.738 -11.738
  484   1HB   GLU  54           HB2      GLU  54  -7.293 -11.971 -11.971
  485   2HB   GLU  54           HB1      GLU  54  -6.875 -12.530 -12.530
  486   1HG   GLU  54           HG2      GLU  54  -5.149 -13.426 -13.426
  487   2HG   GLU  54           HG1      GLU  54  -6.747 -14.159 -14.159
  488    H    MET  55            HN      MET  55  -4.286 -12.235 -12.235
  489    HA   MET  55            HA      MET  55  -4.405  -9.712  -9.712
  490   1HB   MET  55           HB2      MET  55  -2.462 -11.501 -11.501
  491   2HB   MET  55           HB1      MET  55  -3.336 -12.220 -12.220
  492   1HG   MET  55           HG2      MET  55  -3.279 -10.015 -10.015
  493   2HG   MET  55           HG1      MET  55  -2.309  -9.371  -9.371
  494   1HE   MET  55           HE3      MET  55  -0.789  -8.561  -8.561
  495   2HE   MET  55           HE2      MET  55   0.326  -9.199  -9.199
  496   3HE   MET  55           HE1      MET  55   0.654  -9.452  -9.452
  497    H    LYS  56            HN      LYS  56  -6.308  -9.269  -9.269
  498    HA   LYS  56            HA      LYS  56  -7.657 -11.419 -11.419
  499   1HB   LYS  56           HB2      LYS  56  -8.497  -8.848  -8.848
  500   2HB   LYS  56           HB1      LYS  56  -9.319  -9.421  -9.421
  501   1HG   LYS  56           HG2      LYS  56  -9.841 -11.535 -11.535
  502   2HG   LYS  56           HG1      LYS  56  -8.884 -11.076 -11.076
  503   1HD   LYS  56           HD2      LYS  56 -11.316 -10.741 -10.741
  504   2HD   LYS  56           HD1      LYS  56 -10.431  -9.217  -9.217
  505   1HE   LYS  56           HE2      LYS  56 -12.513  -8.998  -8.998
  506   2HE   LYS  56           HE1      LYS  56 -11.070  -8.718  -8.718
  507   1HZ   LYS  56           HZ1      LYS  56 -12.210 -11.425 -11.425
  508   2HZ   LYS  56           HZ3      LYS  56 -12.922 -10.291 -10.291
  509   3HZ   LYS  56           HZ2      LYS  56 -11.292 -10.726 -10.726
  510    HA   PRO  57            HA      PRO  57  -6.291  -9.945  -9.945
  511   1HB   PRO  57           HB2      PRO  57  -8.154 -11.025 -11.025
  512   2HB   PRO  57           HB1      PRO  57  -6.821 -11.936 -11.936
  513   1HG   PRO  57           HG2      PRO  57  -9.685 -11.891 -11.891
  514   2HG   PRO  57           HG1      PRO  57  -8.498 -13.166 -13.166
  515   1HD   PRO  57           HD2      PRO  57  -9.409 -11.436 -11.436
  516   2HD   PRO  57           HD1      PRO  57  -7.962 -12.465 -12.465
  517    H    HIS  58            HN      HIS  58  -7.639  -9.197  -9.197
  518    HA   HIS  58            HA      HIS  58  -9.651  -7.161  -7.161
  519   1HB   HIS  58           HB2      HIS  58  -6.920  -6.606  -6.606
  520   2HB   HIS  58           HB1      HIS  58  -7.986  -5.993  -5.993
  521    HD1  HIS  58           HD1      HIS  58  -7.996  -3.524  -3.524
  522    HD2  HIS  58           HD2      HIS  58  -8.824  -5.879  -5.879
  523    HE1  HIS  58           HE1      HIS  58  -8.686  -1.932  -1.932
  524    HA   PRO  59            HA      PRO  59 -11.518  -8.249  -8.249
  525   1HB   PRO  59           HB2      PRO  59 -12.290  -5.864  -5.864
  526   2HB   PRO  59           HB1      PRO  59 -13.098  -6.593  -6.593
  527   1HG   PRO  59           HG2      PRO  59 -11.259  -4.243  -4.243
  528   2HG   PRO  59           HG1      PRO  59 -12.518  -4.639  -4.639
  529   1HD   PRO  59           HD2      PRO  59  -9.724  -5.015  -5.015
  530   2HD   PRO  59           HD1      PRO  59 -11.006  -5.664  -5.664
  531    H    GLU  60            HN      GLU  60 -10.212  -9.105  -9.105
  532    HA   GLU  60            HA      GLU  60  -8.526  -7.198  -7.198
  533   1HB   GLU  60           HB2      GLU  60  -7.435  -9.656  -9.656
  534   2HB   GLU  60           HB1      GLU  60  -6.805  -8.563  -8.563
  535   1HG   GLU  60           HG2      GLU  60  -8.059  -9.722  -9.722
  536   2HG   GLU  60           HG1      GLU  60  -8.838 -10.753 -10.753
  537    H    PHE  61            HN      PHE  61  -9.620 -10.550 -10.550
  538    HA   PHE  61            HA      PHE  61 -10.087 -10.049 -10.049
  539   1HB   PHE  61           HB2      PHE  61  -9.935 -12.303 -12.303
  540   2HB   PHE  61           HB1      PHE  61 -11.682 -12.195 -12.195
  541    HD1  PHE  61           HD1      PHE  61  -8.579 -11.688 -11.688
  542    HD2  PHE  61           HD2      PHE  61 -12.562 -13.281 -13.281
  543    HE1  PHE  61           HE1      PHE  61  -8.351 -12.557 -12.557
  544    HE2  PHE  61           HE2      PHE  61 -12.335 -14.150 -14.150
  545    HZ   PHE  61            HZ      PHE  61 -10.229 -13.788 -13.788
  546    H    ILE  62            HN      ILE  62 -12.356 -10.405 -10.405
  547    HA   ILE  62            HA      ILE  62 -14.179  -8.441  -8.441
  548    HB   ILE  62            HB      ILE  62 -15.502  -8.777  -8.777
  549   1HG1  ILE  62          HG12      ILE  62 -13.193 -10.422 -10.422
  550   2HG1  ILE  62          HG11      ILE  62 -14.537 -11.209 -11.209
  551   1HG2  ILE  62          HG21      ILE  62 -13.413  -7.226  -7.226
  552   2HG2  ILE  62          HG23      ILE  62 -12.625  -8.365  -8.365
  553   3HG2  ILE  62          HG22      ILE  62 -14.055  -7.480  -7.480
  554   1HD1  ILE  62          HD13      ILE  62 -15.093  -9.252  -9.252
  555   2HD1  ILE  62          HD12      ILE  62 -14.643 -10.913 -10.913
  556   3HD1  ILE  62          HD11      ILE  62 -16.086 -10.592 -10.592
  557    H    VAL  63            HN      VAL  63 -16.309  -8.920  -8.920
  558    HA   VAL  63            HA      VAL  63 -17.157 -11.765 -11.765
  559    HB   VAL  63            HB      VAL  63 -17.101 -10.087 -10.087
  560   1HG1  VAL  63          HG13      VAL  63 -18.065 -12.825 -12.825
  561   2HG1  VAL  63          HG12      VAL  63 -17.409 -12.573 -12.573
  562   3HG1  VAL  63          HG11      VAL  63 -18.800 -11.635 -11.635
  563   1HG2  VAL  63          HG22      VAL  63 -15.302 -12.371 -12.371
  564   2HG2  VAL  63          HG21      VAL  63 -14.815 -10.687 -10.687
  565   3HG2  VAL  63          HG23      VAL  63 -15.293 -11.632 -11.632
  566    H    THR  64            HN      THR  64 -18.886 -11.215 -11.215
  567    HA   THR  64            HA      THR  64 -20.966 -10.315 -10.315
  568    HB   THR  64            HB      THR  64 -22.663 -10.383 -10.383
  569    HG1  THR  64           HG1      THR  64 -22.139  -9.469  -9.469
  570   1HG2  THR  64          HG22      THR  64 -21.444 -12.537 -12.537
  571   2HG2  THR  64          HG21      THR  64 -20.586 -12.387 -12.387
  572   3HG2  THR  64          HG23      THR  64 -22.340 -12.574 -12.574
  573    H    ASP  65            HN      ASP  65 -20.081  -8.302  -8.302
  574    HA   ASP  65            HA      ASP  65 -19.921  -5.991  -5.991
  575   1HB   ASP  65           HB2      ASP  65 -18.949  -6.663  -6.663
  576   2HB   ASP  65           HB1      ASP  65 -19.926  -5.205  -5.205
  577   1H    SER   1           HT2      SER   1 -15.474 -12.777 -12.777
  578   2H    SER   1           HT1      SER   1 -16.702 -11.647 -11.647
  579   3H    SER   1           HT3      SER   1 -16.045 -11.764 -11.764
  580    HA   SER   1            HA      SER   1 -14.102 -10.708 -10.708
  581   1HB   SER   1           HB2      SER   1 -16.410  -9.418  -9.418
  582   2HB   SER   1           HB1      SER   1 -15.684  -9.361  -9.361
  583    HG   SER   1            HG      SER   1 -13.934  -8.306  -8.306
  584    HA   PRO   2            HA      PRO   2 -12.831 -12.890 -12.890
  585   1HB   PRO   2           HB2      PRO   2 -10.340 -13.605 -13.605
  586   2HB   PRO   2           HB1      PRO   2 -11.797 -14.584 -14.584
  587   1HG   PRO   2           HG2      PRO   2 -10.330 -12.875 -12.875
  588   2HG   PRO   2           HG1      PRO   2 -11.334 -14.308 -14.308
  589   1HD   PRO   2           HD2      PRO   2 -12.141 -11.628 -11.628
  590   2HD   PRO   2           HD1      PRO   2 -13.218 -13.039 -13.039
  591    H    LEU   3            HN      LEU   3 -11.277 -12.192 -12.192
  592    HA   LEU   3            HA      LEU   3 -10.642  -9.421  -9.421
  593   1HB   LEU   3           HB2      LEU   3  -9.668  -9.744  -9.744
  594   2HB   LEU   3           HB1      LEU   3 -10.905 -10.989 -10.989
  595    HG   LEU   3            HG      LEU   3  -7.938 -11.408 -11.408
  596   1HD1  LEU   3          HD12      LEU   3  -8.920 -11.029 -11.029
  597   2HD1  LEU   3          HD11      LEU   3  -9.476 -12.690 -12.690
  598   3HD1  LEU   3          HD13      LEU   3  -7.756 -12.320 -12.320
  599   1HD2  LEU   3          HD23      LEU   3 -10.339 -13.249 -13.249
  600   2HD2  LEU   3          HD22      LEU   3  -9.140 -12.980 -12.980
  601   3HD2  LEU   3          HD21      LEU   3  -8.697 -13.860 -13.860
  602    H    LEU   4            HN      LEU   4  -8.951  -8.308  -8.308
  603    HA   LEU   4            HA      LEU   4  -6.434  -9.777  -9.777
  604   1HB   LEU   4           HB2      LEU   4  -7.778  -7.785  -7.785
  605   2HB   LEU   4           HB1      LEU   4  -6.290  -8.671  -8.671
  606    HG   LEU   4            HG      LEU   4  -8.828 -10.168 -10.168
  607   1HD1  LEU   4          HD13      LEU   4  -7.991  -8.905  -8.905
  608   2HD1  LEU   4          HD12      LEU   4  -9.059 -10.310 -10.310
  609   3HD1  LEU   4          HD11      LEU   4  -9.552  -8.792  -8.792
  610   1HD2  LEU   4          HD22      LEU   4  -6.143 -10.695 -10.695
  611   2HD2  LEU   4          HD21      LEU   4  -7.076 -11.683 -11.683
  612   3HD2  LEU   4          HD23      LEU   4  -7.512 -11.641 -11.641
  613    HA   PRO   5            HA      PRO   5  -5.773  -5.652  -5.652
  614   1HB   PRO   5           HB2      PRO   5  -4.638  -6.572  -6.572
  615   2HB   PRO   5           HB1      PRO   5  -6.382  -6.340  -6.340
  616   1HG   PRO   5           HG2      PRO   5  -4.840  -8.887  -8.887
  617   2HG   PRO   5           HG1      PRO   5  -6.560  -8.605  -8.605
  618   1HD   PRO   5           HD2      PRO   5  -5.410  -9.691  -9.691
  619   2HD   PRO   5           HD1      PRO   5  -7.114  -9.260  -9.260
  620    H    LYS   6            HN      LYS   6  -3.830  -4.511  -4.511
  621    HA   LYS   6            HA      LYS   6  -1.543  -4.027  -4.027
  622   1HB   LYS   6           HB2      LYS   6  -1.587  -6.507  -6.507
  623   2HB   LYS   6           HB1      LYS   6  -0.316  -6.622  -6.622
  624   1HG   LYS   6           HG2      LYS   6   0.743  -5.661  -5.661
  625   2HG   LYS   6           HG1      LYS   6   0.439  -4.300  -4.300
  626   1HD   LYS   6           HD2      LYS   6  -1.823  -4.860  -4.860
  627   2HD   LYS   6           HD1      LYS   6  -0.345  -4.443  -4.443
  628   1HE   LYS   6           HE2      LYS   6  -0.184  -2.509  -2.509
  629   2HE   LYS   6           HE1      LYS   6  -1.914  -2.799  -2.799
  630   1HZ   LYS   6           HZ1      LYS   6  -1.904  -2.694  -2.694
  631   2HZ   LYS   6           HZ3      LYS   6  -0.432  -1.875  -1.875
  632   3HZ   LYS   6           HZ2      LYS   6  -1.851  -1.247  -1.247
  633    H    LEU   7            HN      LEU   7   0.102  -4.089  -4.089
  634    HA   LEU   7            HA      LEU   7   0.449  -5.996  -5.996
  635   1HB   LEU   7           HB2      LEU   7  -1.896  -5.256  -5.256
  636   2HB   LEU   7           HB1      LEU   7  -1.233  -3.653  -3.653
  637    HG   LEU   7            HG      LEU   7   0.302  -4.542  -4.542
  638   1HD1  LEU   7          HD13      LEU   7  -0.752  -7.169  -7.169
  639   2HD1  LEU   7          HD12      LEU   7  -0.240  -7.037  -7.037
  640   3HD1  LEU   7          HD11      LEU   7   0.906  -6.705  -6.705
  641   1HD2  LEU   7          HD23      LEU   7  -2.529  -4.469  -4.469
  642   2HD2  LEU   7          HD22      LEU   7  -1.345  -4.318  -4.318
  643   3HD2  LEU   7          HD21      LEU   7  -2.005  -5.906  -5.906
  644    HA   PRO   8            HA      PRO   8   3.386  -2.414  -2.414
  645   1HB   PRO   8           HB2      PRO   8   5.544  -3.951  -3.951
  646   2HB   PRO   8           HB1      PRO   8   4.416  -3.204  -3.204
  647   1HG   PRO   8           HG2      PRO   8   4.657  -6.061  -6.061
  648   2HG   PRO   8           HG1      PRO   8   4.046  -5.383  -5.383
  649   1HD   PRO   8           HD2      PRO   8   2.453  -6.369  -6.369
  650   2HD   PRO   8           HD1      PRO   8   1.887  -5.346  -5.346
  651    HA   PRO   9            HA      PRO   9   5.405  -3.501  -3.501
  652   1HB   PRO   9           HB2      PRO   9   7.969  -2.528  -2.528
  653   2HB   PRO   9           HB1      PRO   9   6.542  -1.499  -1.499
  654   1HG   PRO   9           HG2      PRO   9   8.201  -1.890  -1.890
  655   2HG   PRO   9           HG1      PRO   9   7.150  -0.532  -0.532
  656   1HD   PRO   9           HD2      PRO   9   6.542  -2.635  -2.635
  657   2HD   PRO   9           HD1      PRO   9   5.423  -1.392  -1.392
  658    H    LYS  10            HN      LYS  10   5.323  -5.821  -5.821
  659    HA   LYS  10            HA      LYS  10   7.872  -7.137  -7.137
  660   1HB   LYS  10           HB2      LYS  10   6.472  -7.624  -7.624
  661   2HB   LYS  10           HB1      LYS  10   8.022  -8.271  -8.271
  662   1HG   LYS  10           HG2      LYS  10   8.795  -5.820  -5.820
  663   2HG   LYS  10           HG1      LYS  10   7.345  -5.425  -5.425
  664   1HD   LYS  10           HD2      LYS  10   9.417  -7.453  -7.453
  665   2HD   LYS  10           HD1      LYS  10   9.393  -5.773  -5.773
  666   1HE   LYS  10           HE2      LYS  10   6.878  -7.375  -7.375
  667   2HE   LYS  10           HE1      LYS  10   8.179  -7.670  -7.670
  668   1HZ   LYS  10           HZ1      LYS  10   7.303  -4.920  -4.920
  669   2HZ   LYS  10           HZ3      LYS  10   6.448  -5.869  -5.869
  670   3HZ   LYS  10           HZ2      LYS  10   8.090  -5.519  -5.519
  671    H    THR  11            HN      THR  11   4.835  -8.040  -8.040
  672    HA   THR  11            HA      THR  11   3.347  -9.210  -9.210
  673    HB   THR  11            HB      THR  11   4.146 -11.748 -11.748
  674    HG1  THR  11           HG1      THR  11   5.997 -10.827 -10.827
  675   1HG2  THR  11          HG22      THR  11   4.528  -9.969  -9.969
  676   2HG2  THR  11          HG21      THR  11   5.605 -11.362 -11.362
  677   3HG2  THR  11          HG23      THR  11   3.857 -11.598 -11.598
  678    H    TYR  12            HN      TYR  12   1.547  -8.836  -8.836
  679    HA   TYR  12            HA      TYR  12   1.252 -10.714 -10.714
  680   1HB   TYR  12           HB2      TYR  12   2.373  -8.585  -8.585
  681   2HB   TYR  12           HB1      TYR  12   0.843  -7.774  -7.774
  682    HD1  TYR  12           HD2      TYR  12   2.590 -10.349 -10.349
  683    HD2  TYR  12           HD1      TYR  12  -1.147  -8.322  -8.322
  684    HE1  TYR  12           HE2      TYR  12   1.734 -11.268 -11.268
  685    HE2  TYR  12           HE1      TYR  12  -1.999  -9.247  -9.247
  686    HH   TYR  12            HH      TYR  12   0.053 -10.834 -10.834
  687    H    LYS  13            HN      LYS  13  -0.892  -7.888  -7.888
  688    HA   LYS  13            HA      LYS  13  -2.882  -9.481  -9.481
  689   1HB   LYS  13           HB2      LYS  13  -3.351  -8.212  -8.212
  690   2HB   LYS  13           HB1      LYS  13  -4.604  -8.945  -8.945
  691   1HG   LYS  13           HG2      LYS  13  -2.422 -10.808 -10.808
  692   2HG   LYS  13           HG1      LYS  13  -2.827 -10.244 -10.244
  693   1HD   LYS  13           HD2      LYS  13  -4.932 -11.174 -11.174
  694   2HD   LYS  13           HD1      LYS  13  -5.102 -10.952 -10.952
  695   1HE   LYS  13           HE2      LYS  13  -3.806 -12.865 -12.865
  696   2HE   LYS  13           HE1      LYS  13  -3.114 -12.919 -12.919
  697   1HZ   LYS  13           HZ2      LYS  13  -5.964 -13.421 -13.421
  698   2HZ   LYS  13           HZ1      LYS  13  -4.814 -14.613 -14.613
  699   3HZ   LYS  13           HZ3      LYS  13  -5.289 -13.489 -13.489
  700    H    ARG  14            HN      ARG  14  -4.199  -6.659  -6.659
  701    HA   ARG  14            HA      ARG  14  -4.112  -5.205  -5.205
  702   1HB   ARG  14           HB2      ARG  14  -6.337  -6.210  -6.210
  703   2HB   ARG  14           HB1      ARG  14  -6.359  -5.054  -5.054
  704   1HG   ARG  14           HG2      ARG  14  -5.726  -3.806  -3.806
  705   2HG   ARG  14           HG1      ARG  14  -7.309  -4.576  -4.576
  706   1HD   ARG  14           HD2      ARG  14  -6.641  -2.985  -2.985
  707   2HD   ARG  14           HD1      ARG  14  -6.860  -2.060  -2.060
  708    HE   ARG  14            HE      ARG  14  -9.122  -3.196  -3.196
  709   1HH1  ARG  14          HH21      ARG  14 -10.089  -4.895  -4.895
  710   2HH1  ARG  14          HH22      ARG  14 -10.324  -4.215  -4.215
  711   1HH2  ARG  14          HH11      ARG  14  -8.261  -1.486  -1.486
  712   2HH2  ARG  14          HH12      ARG  14  -9.287  -2.283  -2.283
  713    H    GLU  15            HN      GLU  15  -4.977  -4.380  -4.380
  714    HA   GLU  15            HA      GLU  15  -4.347  -1.604  -1.604
  715   1HB   GLU  15           HB2      GLU  15  -5.558  -3.129  -3.129
  716   2HB   GLU  15           HB1      GLU  15  -4.092  -2.544  -2.544
  717   1HG   GLU  15           HG2      GLU  15  -5.845  -0.671  -0.671
  718   2HG   GLU  15           HG1      GLU  15  -6.206  -1.041  -1.041

  Start of MODEL   19
    1   1H    GLY  -8           HT3      GLY  -8  10.157 -12.594 -12.594
    2   2H    GLY  -8           HT2      GLY  -8   9.441 -13.896 -13.896
    3   3H    GLY  -8           HT1      GLY  -8  11.107 -13.606 -13.606
    4   1HA   GLY  -8           HA1      GLY  -8  10.504 -12.368 -12.368
    5   2HA   GLY  -8           HA2      GLY  -8   8.779 -12.509 -12.509
    6    H    SER  -7            HN      SER  -7   9.406 -10.430 -10.430
    7    HA   SER  -7            HA      SER  -7  11.182  -8.474  -8.474
    8   1HB   SER  -7           HB2      SER  -7  10.238  -8.065  -8.065
    9   2HB   SER  -7           HB1      SER  -7  11.739  -7.542  -7.542
   10    HG   SER  -7            HG      SER  -7  12.347  -9.245  -9.245
   11    H    ARG  -6            HN      ARG  -6  10.248  -6.648  -6.648
   12    HA   ARG  -6            HA      ARG  -6   7.324  -6.334  -6.334
   13   1HB   ARG  -6           HB2      ARG  -6   8.949  -6.030  -6.030
   14   2HB   ARG  -6           HB1      ARG  -6   8.901  -4.364  -4.364
   15   1HG   ARG  -6           HG2      ARG  -6   6.625  -4.151  -4.151
   16   2HG   ARG  -6           HG1      ARG  -6   6.326  -5.879  -5.879
   17   1HD   ARG  -6           HD2      ARG  -6   7.716  -6.161  -6.161
   18   2HD   ARG  -6           HD1      ARG  -6   7.454  -4.432  -4.432
   19    HE   ARG  -6            HE      ARG  -6   4.912  -5.308  -5.308
   20   1HH1  ARG  -6          HH21      ARG  -6   6.534  -4.875  -4.875
   21   2HH1  ARG  -6          HH22      ARG  -6   5.939  -6.241  -6.241
   22   1HH2  ARG  -6          HH11      ARG  -6   4.550  -7.772  -7.772
   23   2HH2  ARG  -6          HH12      ARG  -6   4.816  -7.882  -7.882
   24    H    ARG  -5            HN      ARG  -5   6.388  -4.762  -4.762
   25    HA   ARG  -5            HA      ARG  -5   7.831  -2.333  -2.333
   26   1HB   ARG  -5           HB2      ARG  -5   8.669  -4.147  -4.147
   27   2HB   ARG  -5           HB1      ARG  -5   7.026  -4.212  -4.212
   28   1HG   ARG  -5           HG2      ARG  -5   7.361  -1.570  -1.570
   29   2HG   ARG  -5           HG1      ARG  -5   9.061  -2.036  -2.036
   30   1HD   ARG  -5           HD2      ARG  -5   8.657  -3.424  -3.424
   31   2HD   ARG  -5           HD1      ARG  -5   6.913  -3.212  -3.212
   32    HE   ARG  -5            HE      ARG  -5   7.275  -0.808  -0.808
   33   1HH1  ARG  -5          HH11      ARG  -5  10.347  -1.951  -1.951
   34   2HH1  ARG  -5          HH12      ARG  -5  10.888  -1.532  -1.532
   35   1HH2  ARG  -5          HH21      ARG  -5   7.714  -0.756  -0.756
   36   2HH2  ARG  -5          HH22      ARG  -5   9.397  -0.855  -0.855
   37    H    ALA  -4            HN      ALA  -4   5.154  -4.365  -4.365
   38    HA   ALA  -4            HA      ALA  -4   3.417  -1.939  -1.939
   39   1HB   ALA  -4           HB3      ALA  -4   3.622  -3.091  -3.091
   40   2HB   ALA  -4           HB2      ALA  -4   3.005  -4.571  -4.571
   41   3HB   ALA  -4           HB1      ALA  -4   1.970  -3.149  -3.149
   42    H    SER  -3            HN      SER  -3   0.997  -2.605  -2.605
   43    HA   SER  -3            HA      SER  -3  -0.579  -3.368  -3.368
   44   1HB   SER  -3           HB2      SER  -3   1.222  -5.761  -5.761
   45   2HB   SER  -3           HB1      SER  -3  -0.529  -5.680  -5.680
   46    HG   SER  -3            HG      SER  -3   0.824  -6.358  -6.358
   47    H    VAL  -2            HN      VAL  -2   0.182  -1.581  -1.581
   48    HA   VAL  -2            HA      VAL  -2   1.340  -2.655  -2.655
   49    HB   VAL  -2            HB      VAL  -2   2.268  -0.066  -0.066
   50   1HG1  VAL  -2          HG11      VAL  -2   2.802  -1.487  -1.487
   51   2HG1  VAL  -2          HG13      VAL  -2   4.110  -0.571  -0.571
   52   3HG1  VAL  -2          HG12      VAL  -2   2.607   0.239   0.239
   53   1HG2  VAL  -2          HG23      VAL  -2   3.503  -2.829  -2.829
   54   2HG2  VAL  -2          HG22      VAL  -2   3.185  -1.853  -1.853
   55   3HG2  VAL  -2          HG21      VAL  -2   4.457  -1.378  -1.378
   56    H    GLY  -1            HN      GLY  -1  -1.117  -2.460  -2.460
   57   1HA   GLY  -1           HA2      GLY  -1  -1.940   0.343   0.343
   58   2HA   GLY  -1           HA1      GLY  -1  -3.047  -1.019  -1.019
   59    H    SER   0            HN      SER   0  -3.501  -2.313  -2.313
   60    HA   SER   0            HA      SER   0  -1.887  -2.414  -2.414
   61   1HB   SER   0           HB2      SER   0  -3.783  -1.238  -1.238
   62   2HB   SER   0           HB1      SER   0  -2.522  -0.264  -0.264
   63    HG   SER   0            HG      SER   0  -5.149  -0.794  -0.794
   64    H    MET   1            HN      MET   1  -2.892  -3.741  -3.741
   65    HA   MET   1            HA      MET   1  -5.205  -5.328  -5.328
   66   1HB   MET   1           HB2      MET   1  -2.712  -6.089  -6.089
   67   2HB   MET   1           HB1      MET   1  -4.185  -6.994  -6.994
   68   1HG   MET   1           HG2      MET   1  -4.393  -7.789  -7.789
   69   2HG   MET   1           HG1      MET   1  -3.407  -6.494  -6.494
   70   1HE   MET   1           HE3      MET   1  -2.270  -7.827  -7.827
   71   2HE   MET   1           HE2      MET   1  -0.911  -8.891  -8.891
   72   3HE   MET   1           HE1      MET   1  -2.553  -9.527  -9.527
   73    H    GLU   2            HN      GLU   2  -6.048  -6.594  -6.594
   74    HA   GLU   2            HA      GLU   2  -6.566  -4.372  -4.372
   75   1HB   GLU   2           HB2      GLU   2  -8.405  -5.690  -5.690
   76   2HB   GLU   2           HB1      GLU   2  -8.641  -6.400  -6.400
   77   1HG   GLU   2           HG2      GLU   2  -9.180  -4.327  -4.327
   78   2HG   GLU   2           HG1      GLU   2  -8.455  -3.415  -3.415
   79    H    ALA   3            HN      ALA   3  -7.469  -5.473  -5.473
   80    HA   ALA   3            HA      ALA   3  -6.385  -8.116  -8.116
   81   1HB   ALA   3           HB1      ALA   3  -5.158  -5.634  -5.634
   82   2HB   ALA   3           HB3      ALA   3  -5.229  -7.044  -7.044
   83   3HB   ALA   3           HB2      ALA   3  -4.409  -7.154  -7.154
   84    H    ILE   4            HN      ILE   4  -8.044  -9.002  -9.002
   85    HA   ILE   4            HA      ILE   4 -10.214  -7.759  -7.759
   86    HB   ILE   4            HB      ILE   4 -10.447  -9.960  -9.960
   87   1HG1  ILE   4          HG12      ILE   4 -10.475 -10.793 -10.793
   88   2HG1  ILE   4          HG11      ILE   4 -11.255  -9.236  -9.236
   89   1HG2  ILE   4          HG23      ILE   4  -7.930 -10.370 -10.370
   90   2HG2  ILE   4          HG22      ILE   4  -9.073 -11.694 -11.694
   91   3HG2  ILE   4          HG21      ILE   4  -8.590 -11.215 -11.215
   92   1HD1  ILE   4          HD11      ILE   4 -11.817 -11.621 -11.621
   93   2HD1  ILE   4          HD13      ILE   4 -12.703 -11.293 -11.293
   94   3HD1  ILE   4          HD12      ILE   4 -12.747 -10.132 -10.132
   95    H    ALA   5            HN      ALA   5 -10.389  -6.759  -6.759
   96    HA   ALA   5            HA      ALA   5  -8.342  -6.850  -6.850
   97   1HB   ALA   5           HB3      ALA   5 -11.144  -5.730  -5.730
   98   2HB   ALA   5           HB2      ALA   5 -10.365  -5.913  -5.913
   99   3HB   ALA   5           HB1      ALA   5  -9.627  -4.891  -4.891
  100    H    LYS   6            HN      LYS   6  -8.163  -8.506  -8.506
  101    HA   LYS   6            HA      LYS   6  -9.994 -10.739 -10.739
  102   1HB   LYS   6           HB2      LYS   6  -7.304 -10.364 -10.364
  103   2HB   LYS   6           HB1      LYS   6  -7.870 -10.551 -10.551
  104   1HG   LYS   6           HG2      LYS   6  -8.525 -12.713 -12.713
  105   2HG   LYS   6           HG1      LYS   6  -8.865 -12.465 -12.465
  106   1HD   LYS   6           HD2      LYS   6  -6.593 -12.634 -12.634
  107   2HD   LYS   6           HD1      LYS   6  -6.018 -12.272 -12.272
  108   1HE   LYS   6           HE2      LYS   6  -5.711 -14.551 -14.551
  109   2HE   LYS   6           HE1      LYS   6  -7.407 -14.527 -14.527
  110   1HZ   LYS   6           HZ3      LYS   6  -7.937 -14.674 -14.674
  111   2HZ   LYS   6           HZ2      LYS   6  -6.293 -15.006 -15.006
  112   3HZ   LYS   6           HZ1      LYS   6  -7.233 -16.062 -16.062
  113    H    TYR   7            HN      TYR   7  -9.142  -8.107  -8.107
  114    HA   TYR   7            HA      TYR   7 -11.594  -8.508  -8.508
  115   1HB   TYR   7           HB2      TYR   7  -9.008  -8.217  -8.217
  116   2HB   TYR   7           HB1      TYR   7 -10.559  -8.812  -8.812
  117    HD1  TYR   7           HD1      TYR   7 -11.382 -11.078 -11.078
  118    HD2  TYR   7           HD2      TYR   7  -7.369  -9.667  -9.667
  119    HE1  TYR   7           HE1      TYR   7 -10.628 -13.400 -13.400
  120    HE2  TYR   7           HE2      TYR   7  -6.605 -11.972 -11.972
  121    HH   TYR   7            HH      TYR   7  -7.355 -14.292 -14.292
  122    H    ASP   8            HN      ASP   8 -11.286  -6.795  -6.795
  123    HA   ASP   8            HA      ASP   8 -11.118  -4.254  -4.254
  124   1HB   ASP   8           HB2      ASP   8 -12.061  -3.303  -3.303
  125   2HB   ASP   8           HB1      ASP   8 -12.902  -4.823  -4.823
  126    H    PHE   9            HN      PHE   9  -9.774  -2.485  -2.485
  127    HA   PHE   9            HA      PHE   9  -7.709  -2.612  -2.612
  128   1HB   PHE   9           HB2      PHE   9  -7.167  -4.379  -4.379
  129   2HB   PHE   9           HB1      PHE   9  -6.210  -2.957  -2.957
  130    HD1  PHE   9           HD2      PHE   9  -7.149  -4.365  -4.365
  131    HD2  PHE   9           HD1      PHE   9  -3.994  -3.507  -3.507
  132    HE1  PHE   9           HE2      PHE   9  -5.464  -5.040  -5.040
  133    HE2  PHE   9           HE1      PHE   9  -2.312  -4.180  -4.180
  134    HZ   PHE   9            HZ      PHE   9  -3.047  -4.947  -4.947
  135    H    LYS  10            HN      LYS  10  -7.599  -0.357  -0.357
  136    HA   LYS  10            HA      LYS  10  -7.888   1.436   1.436
  137   1HB   LYS  10           HB2      LYS  10  -7.543   3.245   3.245
  138   2HB   LYS  10           HB1      LYS  10  -8.670   2.075   2.075
  139   1HG   LYS  10           HG2      LYS  10  -6.587   0.992   0.992
  140   2HG   LYS  10           HG1      LYS  10  -5.763   2.501   2.501
  141   1HD   LYS  10           HD2      LYS  10  -7.325   3.787   3.787
  142   2HD   LYS  10           HD1      LYS  10  -8.360   2.380   2.380
  143   1HE   LYS  10           HE2      LYS  10  -6.070   1.372   1.372
  144   2HE   LYS  10           HE1      LYS  10  -5.776   3.079   3.079
  145   1HZ   LYS  10           HZ1      LYS  10  -8.276   1.677   1.677
  146   2HZ   LYS  10           HZ3      LYS  10  -6.946   1.837   1.837
  147   3HZ   LYS  10           HZ2      LYS  10  -7.763   3.221   3.221
  148    H    ALA  11            HN      ALA  11  -6.164   3.289   3.289
  149    HA   ALA  11            HA      ALA  11  -3.827   2.034   2.034
  150   1HB   ALA  11           HB3      ALA  11  -4.870   4.782   4.782
  151   2HB   ALA  11           HB2      ALA  11  -3.106   4.645   4.645
  152   3HB   ALA  11           HB1      ALA  11  -4.115   3.978   3.978
  153    H    THR  12            HN      THR  12  -1.786   1.790   1.790
  154    HA   THR  12            HA      THR  12  -1.660   2.586   2.586
  155    HB   THR  12            HB      THR  12   0.282   0.832   0.832
  156    HG1  THR  12           HG1      THR  12  -1.265  -0.034  -0.034
  157   1HG2  THR  12          HG23      THR  12  -2.633   0.063   0.063
  158   2HG2  THR  12          HG22      THR  12  -1.378  -0.981  -0.981
  159   3HG2  THR  12          HG21      THR  12  -1.820   0.512   0.512
  160    H    ALA  13            HN      ALA  13  -1.048   4.505   4.505
  161    HA   ALA  13            HA      ALA  13   1.405   5.577   5.577
  162   1HB   ALA  13           HB2      ALA  13   1.655   4.099   4.099
  163   2HB   ALA  13           HB1      ALA  13   2.818   5.285   5.285
  164   3HB   ALA  13           HB3      ALA  13   2.561   3.784   3.784
  165    H    ASP  14            HN      ASP  14   2.203   7.326   7.326
  166    HA   ASP  14            HA      ASP  14  -0.005   9.000   9.000
  167   1HB   ASP  14           HB2      ASP  14   2.353   9.510   9.510
  168   2HB   ASP  14           HB1      ASP  14   2.833   9.501   9.501
  169    H    ASP  15            HN      ASP  15   1.635   6.582   6.582
  170    HA   ASP  15            HA      ASP  15   0.552   7.617   7.617
  171   1HB   ASP  15           HB2      ASP  15   3.323   6.845   6.845
  172   2HB   ASP  15           HB1      ASP  15   2.681   6.157   6.157
  173    H    GLU  16            HN      GLU  16  -0.477   5.676   5.676
  174    HA   GLU  16            HA      GLU  16  -0.316   3.148   3.148
  175   1HB   GLU  16           HB2      GLU  16  -0.044   3.447   3.447
  176   2HB   GLU  16           HB1      GLU  16  -1.792   3.360   3.360
  177   1HG   GLU  16           HG2      GLU  16  -1.717   1.141   1.141
  178   2HG   GLU  16           HG1      GLU  16  -0.748   1.326   1.326
  179    H    LEU  17            HN      LEU  17  -2.581   1.956   1.956
  180    HA   LEU  17            HA      LEU  17  -4.688   3.916   3.916
  181   1HB   LEU  17           HB2      LEU  17  -3.806   2.957   2.957
  182   2HB   LEU  17           HB1      LEU  17  -4.005   1.333   1.333
  183    HG   LEU  17            HG      LEU  17  -6.492   1.815   1.815
  184   1HD1  LEU  17          HD11      LEU  17  -5.546   4.310   4.310
  185   2HD1  LEU  17          HD13      LEU  17  -7.172   3.693   3.693
  186   3HD1  LEU  17          HD12      LEU  17  -6.675   4.153   4.153
  187   1HD2  LEU  17          HD23      LEU  17  -4.986   0.883   0.883
  188   2HD2  LEU  17          HD22      LEU  17  -6.750   0.850   0.850
  189   3HD2  LEU  17          HD21      LEU  17  -5.928   2.169   2.169
  190    H    SER  18            HN      SER  18  -6.561   3.665   3.665
  191    HA   SER  18            HA      SER  18  -6.931   1.449   1.449
  192   1HB   SER  18           HB2      SER  18  -8.704   2.814   2.814
  193   2HB   SER  18           HB1      SER  18  -7.369   3.868   3.868
  194    HG   SER  18            HG      SER  18  -8.833   4.910   4.910
  195    H    PHE  19            HN      PHE  19  -8.813   0.110   0.110
  196    HA   PHE  19            HA      PHE  19 -10.744   0.292   0.292
  197   1HB   PHE  19           HB2      PHE  19 -10.110  -1.794  -1.794
  198   2HB   PHE  19           HB1      PHE  19  -8.868  -0.554  -0.554
  199    HD1  PHE  19           HD1      PHE  19  -9.821  -3.579  -3.579
  200    HD2  PHE  19           HD2      PHE  19  -6.656  -0.938  -0.938
  201    HE1  PHE  19           HE1      PHE  19  -8.146  -5.130  -5.130
  202    HE2  PHE  19           HE2      PHE  19  -4.987  -2.486  -2.486
  203    HZ   PHE  19            HZ      PHE  19  -5.733  -4.583  -4.583
  204    H    LYS  20            HN      LYS  20 -12.195  -1.694  -1.694
  205    HA   LYS  20            HA      LYS  20 -12.234  -2.811  -2.811
  206   1HB   LYS  20           HB2      LYS  20 -14.561  -2.360  -2.360
  207   2HB   LYS  20           HB1      LYS  20 -14.656  -2.907  -2.907
  208   1HG   LYS  20           HG2      LYS  20 -13.262  -0.331  -0.331
  209   2HG   LYS  20           HG1      LYS  20 -15.020  -0.367  -0.367
  210   1HD   LYS  20           HD2      LYS  20 -14.514  -1.705  -1.705
  211   2HD   LYS  20           HD1      LYS  20 -13.066  -0.698  -0.698
  212   1HE   LYS  20           HE2      LYS  20 -14.650   1.274   1.274
  213   2HE   LYS  20           HE1      LYS  20 -15.954   0.195   0.195
  214   1HZ   LYS  20           HZ3      LYS  20 -13.585   0.449   0.449
  215   2HZ   LYS  20           HZ2      LYS  20 -14.751   1.685   1.685
  216   3HZ   LYS  20           HZ1      LYS  20 -15.188   0.093   0.093
  217    H    ARG  21            HN      ARG  21 -13.854  -4.828  -4.828
  218    HA   ARG  21            HA      ARG  21 -12.436  -6.859  -6.859
  219   1HB   ARG  21           HB2      ARG  21 -13.767  -7.046  -7.046
  220   2HB   ARG  21           HB1      ARG  21 -15.201  -7.142  -7.142
  221   1HG   ARG  21           HG2      ARG  21 -14.630  -9.215  -9.215
  222   2HG   ARG  21           HG1      ARG  21 -12.898  -8.911  -8.911
  223   1HD   ARG  21           HD2      ARG  21 -12.975 -10.166 -10.166
  224   2HD   ARG  21           HD1      ARG  21 -13.808  -8.805  -8.805
  225    HE   ARG  21            HE      ARG  21 -15.757 -10.121 -10.121
  226   1HH1  ARG  21          HH21      ARG  21 -16.733 -10.572 -10.572
  227   2HH1  ARG  21          HH22      ARG  21 -16.284 -12.176 -12.176
  228   1HH2  ARG  21          HH11      ARG  21 -13.785 -12.462 -12.462
  229   2HH2  ARG  21          HH12      ARG  21 -14.615 -13.249 -13.249
  230    H    GLY  22            HN      GLY  22 -12.798  -7.535  -7.535
  231   1HA   GLY  22           HA2      GLY  22 -14.063  -8.035  -8.035
  232   2HA   GLY  22           HA1      GLY  22 -15.452  -7.222  -7.222
  233    H    ASP  23            HN      ASP  23 -13.071  -5.045  -5.045
  234    HA   ASP  23            HA      ASP  23 -13.839  -3.443  -3.443
  235   1HB   ASP  23           HB2      ASP  23 -12.954  -2.978  -2.978
  236   2HB   ASP  23           HB1      ASP  23 -11.714  -2.320  -2.320
  237    H    ILE  24            HN      ILE  24 -12.873  -4.400  -4.400
  238    HA   ILE  24            HA      ILE  24 -10.110  -5.237  -5.237
  239    HB   ILE  24            HB      ILE  24 -11.642  -4.586  -4.586
  240   1HG1  ILE  24          HG12      ILE  24 -12.000  -6.952  -6.952
  241   2HG1  ILE  24          HG11      ILE  24 -13.249  -5.874  -5.874
  242   1HG2  ILE  24          HG21      ILE  24  -9.125  -5.457  -5.457
  243   2HG2  ILE  24          HG23      ILE  24  -9.948  -7.011  -7.011
  244   3HG2  ILE  24          HG22      ILE  24 -10.079  -5.975  -5.975
  245   1HD1  ILE  24          HD11      ILE  24 -12.205  -6.858  -6.858
  246   2HD1  ILE  24          HD13      ILE  24 -12.045  -8.244  -8.244
  247   3HD1  ILE  24          HD12      ILE  24 -13.626  -7.511  -7.511
  248    H    LEU  25            HN      LEU  25  -8.328  -4.172  -4.172
  249    HA   LEU  25            HA      LEU  25  -8.608  -1.229  -1.229
  250   1HB   LEU  25           HB2      LEU  25  -6.002  -2.701  -2.701
  251   2HB   LEU  25           HB1      LEU  25  -6.367  -1.019  -1.019
  252    HG   LEU  25            HG      LEU  25  -6.293  -2.074  -2.074
  253   1HD1  LEU  25          HD12      LEU  25  -8.962  -1.348  -1.348
  254   2HD1  LEU  25          HD11      LEU  25  -8.991  -2.407  -2.407
  255   3HD1  LEU  25          HD13      LEU  25  -8.125  -0.879  -0.879
  256   1HD2  LEU  25          HD23      LEU  25  -6.725  -4.417  -4.417
  257   2HD2  LEU  25          HD22      LEU  25  -6.850  -4.235  -4.235
  258   3HD2  LEU  25          HD21      LEU  25  -8.307  -4.192  -4.192
  259    H    LYS  26            HN      LYS  26  -7.001  -0.177  -0.177
  260    HA   LYS  26            HA      LYS  26  -6.816  -1.879  -1.879
  261   1HB   LYS  26           HB2      LYS  26  -7.824   0.743   0.743
  262   2HB   LYS  26           HB1      LYS  26  -6.312   0.950   0.950
  263   1HG   LYS  26           HG2      LYS  26  -7.584   0.519   0.519
  264   2HG   LYS  26           HG1      LYS  26  -7.421  -1.166  -1.166
  265   1HD   LYS  26           HD2      LYS  26  -9.559  -1.249  -1.249
  266   2HD   LYS  26           HD1      LYS  26  -9.607   0.489   0.489
  267   1HE   LYS  26           HE2      LYS  26  -9.378   0.400   0.400
  268   2HE   LYS  26           HE1      LYS  26 -10.374  -1.018  -1.018
  269   1HZ   LYS  26           HZ1      LYS  26 -10.917   1.694   1.694
  270   2HZ   LYS  26           HZ3      LYS  26 -11.662   1.048   1.048
  271   3HZ   LYS  26           HZ2      LYS  26 -11.913   0.324   0.324
  272    H    VAL  27            HN      VAL  27  -4.774  -2.852  -2.852
  273    HA   VAL  27            HA      VAL  27  -2.497  -1.600  -1.600
  274    HB   VAL  27            HB      VAL  27  -2.502  -3.757  -3.757
  275   1HG1  VAL  27          HG13      VAL  27  -0.446  -2.500  -2.500
  276   2HG1  VAL  27          HG12      VAL  27  -0.436  -4.267  -4.267
  277   3HG1  VAL  27          HG11      VAL  27  -0.258  -3.394  -3.394
  278   1HG2  VAL  27          HG22      VAL  27  -3.386  -3.736  -3.736
  279   2HG2  VAL  27          HG21      VAL  27  -3.639  -4.961  -4.961
  280   3HG2  VAL  27          HG23      VAL  27  -2.141  -4.948  -4.948
  281    H    LEU  28            HN      LEU  28  -1.733   0.304   0.304
  282    HA   LEU  28            HA      LEU  28  -1.651   0.949   0.949
  283   1HB   LEU  28           HB2      LEU  28  -0.335   2.710   2.710
  284   2HB   LEU  28           HB1      LEU  28  -1.213   3.162   3.162
  285    HG   LEU  28            HG      LEU  28  -3.046   1.868   1.868
  286   1HD1  LEU  28          HD12      LEU  28  -1.382   4.083   4.083
  287   2HD1  LEU  28          HD11      LEU  28  -2.937   3.563   3.563
  288   3HD1  LEU  28          HD13      LEU  28  -1.575   2.444   2.444
  289   1HD2  LEU  28          HD21      LEU  28  -2.718   4.425   4.425
  290   2HD2  LEU  28          HD23      LEU  28  -4.125   3.370   3.370
  291   3HD2  LEU  28          HD22      LEU  28  -3.756   4.498   4.498
  292    H    ASN  29            HN      ASN  29   0.457   0.079   0.079
  293    HA   ASN  29            HA      ASN  29   2.604  -0.541  -0.541
  294   1HB   ASN  29           HB2      ASN  29   2.633   1.991   1.991
  295   2HB   ASN  29           HB1      ASN  29   3.563   1.161   1.161
  296   1HD2  ASN  29          HD22      ASN  29   6.360   0.553   0.553
  297   2HD2  ASN  29          HD21      ASN  29   5.621   0.196   0.196
  298    H    GLU  30            HN      GLU  30   4.560  -1.469  -1.469
  299    HA   GLU  30            HA      GLU  30   3.607  -2.837  -2.837
  300   1HB   GLU  30           HB2      GLU  30   3.951  -4.146  -4.146
  301   2HB   GLU  30           HB1      GLU  30   5.591  -4.246  -4.246
  302   1HG   GLU  30           HG2      GLU  30   3.119  -5.025  -5.025
  303   2HG   GLU  30           HG1      GLU  30   4.122  -6.172  -6.172
  304    H    GLU  31            HN      GLU  31   4.835  -0.647  -0.647
  305    HA   GLU  31            HA      GLU  31   7.769  -1.016  -1.016
  306   1HB   GLU  31           HB2      GLU  31   6.037   1.242   1.242
  307   2HB   GLU  31           HB1      GLU  31   7.799   1.242   1.242
  308   1HG   GLU  31           HG2      GLU  31   7.287   0.648   0.648
  309   2HG   GLU  31           HG1      GLU  31   5.793   1.512   1.512
  310    H    CYS  32            HN      CYS  32   8.661  -0.235  -0.235
  311    HA   CYS  32            HA      CYS  32   8.930  -0.781  -0.781
  312   1HB   CYS  32           HB2      CYS  32   6.257  -0.080  -0.080
  313   2HB   CYS  32           HB1      CYS  32   6.167  -1.694  -1.694
  314    HG   CYS  32            HG      CYS  32   7.872   0.576   0.576
  315    H    ASP  33            HN      ASP  33   7.950  -2.761  -2.761
  316    HA   ASP  33            HA      ASP  33   9.303  -5.039  -5.039
  317   1HB   ASP  33           HB2      ASP  33   7.858  -4.360  -4.360
  318   2HB   ASP  33           HB1      ASP  33   6.697  -5.430  -5.430
  319    H    GLN  34            HN      GLN  34   8.418  -7.259  -7.259
  320    HA   GLN  34            HA      GLN  34   6.842  -7.044  -7.044
  321   1HB   GLN  34           HB2      GLN  34   8.628  -9.094  -9.094
  322   2HB   GLN  34           HB1      GLN  34   7.346  -9.674  -9.674
  323   1HG   GLN  34           HG2      GLN  34   8.171  -8.487  -8.487
  324   2HG   GLN  34           HG1      GLN  34   9.101  -7.378  -7.378
  325   1HE2  GLN  34          HE22      GLN  34  10.698 -10.994 -10.994
  326   2HE2  GLN  34          HE21      GLN  34   9.075 -10.642 -10.642
  327    H    ASN  35            HN      ASN  35   5.807  -6.951  -6.951
  328    HA   ASN  35            HA      ASN  35   3.705  -9.004  -9.004
  329   1HB   ASN  35           HB2      ASN  35   4.746  -7.646  -7.646
  330   2HB   ASN  35           HB1      ASN  35   3.376  -8.762  -8.762
  331   1HD2  ASN  35          HD22      ASN  35   7.149 -10.275 -10.275
  332   2HD2  ASN  35          HD21      ASN  35   6.842  -8.642  -8.642
  333    H    TRP  36            HN      TRP  36   4.352  -5.686  -5.686
  334    HA   TRP  36            HA      TRP  36   1.440  -5.075  -5.075
  335   1HB   TRP  36           HB2      TRP  36   3.705  -3.081  -3.081
  336   2HB   TRP  36           HB1      TRP  36   2.000  -2.830  -2.830
  337    HD1  TRP  36           HD1      TRP  36   4.666  -5.483  -5.483
  338    HE1  TRP  36           HE1      TRP  36   4.506  -5.711  -5.711
  339    HE3  TRP  36           HE3      TRP  36   0.830  -2.178  -2.178
  340    HZ2  TRP  36           HZ2      TRP  36   3.043  -4.655  -4.655
  341    HZ3  TRP  36           HZ3      TRP  36   0.140  -1.812  -1.812
  342    HH2  TRP  36           HH2      TRP  36   1.224  -3.052  -3.052
  343    H    TYR  37            HN      TYR  37   0.556  -3.624  -3.624
  344    HA   TYR  37            HA      TYR  37   2.345  -3.179  -3.179
  345   1HB   TYR  37           HB2      TYR  37  -0.587  -3.725  -3.725
  346   2HB   TYR  37           HB1      TYR  37   0.721  -3.886  -3.886
  347    HD1  TYR  37           HD1      TYR  37   2.656  -5.635  -5.635
  348    HD2  TYR  37           HD2      TYR  37  -1.582  -5.656  -5.656
  349    HE1  TYR  37           HE1      TYR  37   2.745  -8.063  -8.063
  350    HE2  TYR  37           HE2      TYR  37  -1.515  -8.067  -8.067
  351    HH   TYR  37            HH      TYR  37   1.508  -9.762  -9.762
  352    H    LYS  38            HN      LYS  38   1.990  -1.268  -1.268
  353    HA   LYS  38            HA      LYS  38   0.485   0.837   0.837
  354   1HB   LYS  38           HB2      LYS  38   2.576   1.237   1.237
  355   2HB   LYS  38           HB1      LYS  38   1.621   0.862   0.862
  356   1HG   LYS  38           HG2      LYS  38  -0.042   2.630   2.630
  357   2HG   LYS  38           HG1      LYS  38   1.432   3.202   3.202
  358   1HD   LYS  38           HD2      LYS  38   2.070   2.706   2.706
  359   2HD   LYS  38           HD1      LYS  38   0.558   3.620   3.620
  360   1HE   LYS  38           HE2      LYS  38   1.813   5.077   5.077
  361   2HE   LYS  38           HE1      LYS  38   3.260   4.409   4.409
  362   1HZ   LYS  38           HZ1      LYS  38   1.071   5.768   5.768
  363   2HZ   LYS  38           HZ3      LYS  38   2.506   6.529   6.529
  364   3HZ   LYS  38           HZ2      LYS  38   2.558   5.252   5.252
  365    H    ALA  39            HN      ALA  39  -1.594   1.497   1.497
  366    HA   ALA  39            HA      ALA  39  -2.901   0.722   0.722
  367   1HB   ALA  39           HB2      ALA  39  -2.858  -1.434  -1.434
  368   2HB   ALA  39           HB1      ALA  39  -3.862  -0.643  -0.643
  369   3HB   ALA  39           HB3      ALA  39  -4.482  -0.866  -0.866
  370    H    GLU  40            HN      GLU  40  -5.403   0.984   0.984
  371    HA   GLU  40            HA      GLU  40  -5.850   3.177   3.177
  372   1HB   GLU  40           HB2      GLU  40  -5.384   4.776   4.776
  373   2HB   GLU  40           HB1      GLU  40  -4.881   3.573   3.573
  374   1HG   GLU  40           HG2      GLU  40  -7.366   3.461   3.461
  375   2HG   GLU  40           HG1      GLU  40  -7.576   4.918   4.918
  376    H    LEU  41            HN      LEU  41  -7.802   3.473   3.473
  377    HA   LEU  41            HA      LEU  41  -9.933   1.757   1.757
  378   1HB   LEU  41           HB2      LEU  41  -9.474   3.001   3.001
  379   2HB   LEU  41           HB1      LEU  41 -11.152   2.774   2.774
  380    HG   LEU  41            HG      LEU  41  -9.159   0.584   0.584
  381   1HD1  LEU  41          HD11      LEU  41 -10.596   1.505   1.505
  382   2HD1  LEU  41          HD13      LEU  41 -10.263  -0.211  -0.211
  383   3HD1  LEU  41          HD12      LEU  41  -8.933   0.945   0.945
  384   1HD2  LEU  41          HD23      LEU  41 -11.343   0.489   0.489
  385   2HD2  LEU  41          HD22      LEU  41 -11.215  -0.764  -0.764
  386   3HD2  LEU  41          HD21      LEU  41 -12.153   0.695   0.695
  387    H    ASN  42            HN      ASN  42 -10.602   2.682   2.682
  388    HA   ASN  42            HA      ASN  42 -11.646   4.271   4.271
  389   1HB   ASN  42           HB2      ASN  42 -13.167   3.876   3.876
  390   2HB   ASN  42           HB1      ASN  42 -13.718   5.153   5.153
  391   1HD2  ASN  42          HD22      ASN  42 -15.161   1.729   1.729
  392   2HD2  ASN  42          HD21      ASN  42 -15.021   2.497   2.497
  393    H    GLY  43            HN      GLY  43  -9.556   5.617   5.617
  394   1HA   GLY  43           HA2      GLY  43  -9.581   8.217   8.217
  395   2HA   GLY  43           HA1      GLY  43 -10.757   8.250   8.250
  396    H    LYS  44            HN      LYS  44  -9.609   6.483   6.483
  397    HA   LYS  44            HA      LYS  44  -7.417   8.032   8.032
  398   1HB   LYS  44           HB2      LYS  44  -9.085   5.786   5.786
  399   2HB   LYS  44           HB1      LYS  44  -7.466   6.022   6.022
  400   1HG   LYS  44           HG2      LYS  44  -8.384   7.561   7.561
  401   2HG   LYS  44           HG1      LYS  44  -8.458   8.591   8.591
  402   1HD   LYS  44           HD2      LYS  44 -10.662   6.635   6.635
  403   2HD   LYS  44           HD1      LYS  44 -10.656   8.301   8.301
  404   1HE   LYS  44           HE2      LYS  44 -10.228   8.812   8.812
  405   2HE   LYS  44           HE1      LYS  44 -11.038   7.258   7.258
  406   1HZ   LYS  44           HZ3      LYS  44 -12.159   9.386   9.386
  407   2HZ   LYS  44           HZ2      LYS  44 -12.483   9.330   9.330
  408   3HZ   LYS  44           HZ1      LYS  44 -12.948   8.040   8.040
  409    H    ASP  45            HN      ASP  45  -5.457   6.935   6.935
  410    HA   ASP  45            HA      ASP  45  -4.829   4.631   4.631
  411   1HB   ASP  45           HB2      ASP  45  -3.074   7.026   7.026
  412   2HB   ASP  45           HB1      ASP  45  -3.112   5.650   5.650
  413    H    GLY  46            HN      GLY  46  -2.287   4.179   4.179
  414   1HA   GLY  46           HA2      GLY  46  -0.478   4.619   4.619
  415   2HA   GLY  46           HA1      GLY  46  -1.750   4.469   4.469
  416    H    PHE  47            HN      PHE  47   0.490   2.891   2.891
  417    HA   PHE  47            HA      PHE  47   0.343   0.333   0.333
  418   1HB   PHE  47           HB2      PHE  47   1.648   1.192   1.192
  419   2HB   PHE  47           HB1      PHE  47   1.869  -0.401  -0.401
  420    HD1  PHE  47           HD1      PHE  47   2.698  -0.500  -0.500
  421    HD2  PHE  47           HD2      PHE  47   2.948   3.016   3.016
  422    HE1  PHE  47           HE1      PHE  47   4.436   0.422   0.422
  423    HE2  PHE  47           HE2      PHE  47   4.691   3.942   3.942
  424    HZ   PHE  47            HZ      PHE  47   5.436   2.643   2.643
  425    H    ILE  48            HN      ILE  48  -0.100  -1.812  -1.812
  426    HA   ILE  48            HA      ILE  48  -1.924  -1.621  -1.621
  427    HB   ILE  48            HB      ILE  48  -3.543  -3.221  -3.221
  428   1HG1  ILE  48          HG12      ILE  48  -2.209  -1.872  -1.872
  429   2HG1  ILE  48          HG11      ILE  48  -2.033  -3.577  -3.577
  430   1HG2  ILE  48          HG21      ILE  48  -3.667  -0.615  -0.615
  431   2HG2  ILE  48          HG23      ILE  48  -3.634  -0.495  -0.495
  432   3HG2  ILE  48          HG22      ILE  48  -4.910  -1.415  -1.415
  433   1HD1  ILE  48          HD11      ILE  48  -4.761  -3.302  -3.302
  434   2HD1  ILE  48          HD13      ILE  48  -4.299  -2.168  -2.168
  435   3HD1  ILE  48          HD12      ILE  48  -3.822  -3.863  -3.863
  436    HA   PRO  49            HA      PRO  49   0.581  -5.254  -5.254
  437   1HB   PRO  49           HB2      PRO  49  -0.746  -6.149  -6.149
  438   2HB   PRO  49           HB1      PRO  49   0.497  -4.885  -4.885
  439   1HG   PRO  49           HG2      PRO  49  -2.501  -4.597  -4.597
  440   2HG   PRO  49           HG1      PRO  49  -1.253  -3.594  -3.594
  441   1HD   PRO  49           HD2      PRO  49  -2.587  -2.849  -2.849
  442   2HD   PRO  49           HD1      PRO  49  -1.012  -2.260  -2.260
  443    H    LYS  50            HN      LYS  50   0.178  -6.768  -6.768
  444    HA   LYS  50            HA      LYS  50  -2.213  -7.762  -7.762
  445   1HB   LYS  50           HB2      LYS  50  -0.047  -8.129  -8.129
  446   2HB   LYS  50           HB1      LYS  50   0.429  -9.160  -9.160
  447   1HG   LYS  50           HG2      LYS  50  -1.891 -10.373 -10.373
  448   2HG   LYS  50           HG1      LYS  50  -1.218  -9.771  -9.771
  449   1HD   LYS  50           HD2      LYS  50   1.047 -10.715 -10.715
  450   2HD   LYS  50           HD1      LYS  50  -0.074 -11.753 -11.753
  451   1HE   LYS  50           HE2      LYS  50  -0.837 -12.835 -12.835
  452   2HE   LYS  50           HE1      LYS  50  -0.489 -11.458 -11.458
  453   1HZ   LYS  50           HZ1      LYS  50   1.911 -11.917 -11.917
  454   2HZ   LYS  50           HZ3      LYS  50   1.450 -13.363 -13.363
  455   3HZ   LYS  50           HZ2      LYS  50   1.109 -13.119 -13.119
  456    H    ASN  51            HN      ASN  51  -0.894  -8.601  -8.601
  457    HA   ASN  51            HA      ASN  51  -1.978 -11.109 -11.109
  458   1HB   ASN  51           HB2      ASN  51  -1.190  -8.896  -8.896
  459   2HB   ASN  51           HB1      ASN  51  -2.155 -10.127 -10.127
  460   1HD2  ASN  51          HD22      ASN  51   1.563 -11.170 -11.170
  461   2HD2  ASN  51          HD21      ASN  51   0.727  -9.894  -9.894
  462    H    TYR  52            HN      TYR  52  -3.422  -7.984  -7.984
  463    HA   TYR  52            HA      TYR  52  -6.089  -9.105  -9.105
  464   1HB   TYR  52           HB2      TYR  52  -4.828  -6.375  -6.375
  465   2HB   TYR  52           HB1      TYR  52  -6.572  -6.515  -6.515
  466    HD1  TYR  52           HD1      TYR  52  -3.650  -7.841  -7.841
  467    HD2  TYR  52           HD2      TYR  52  -7.748  -6.622  -6.622
  468    HE1  TYR  52           HE1      TYR  52  -3.769  -8.083  -8.083
  469    HE2  TYR  52           HE2      TYR  52  -7.860  -6.847  -6.847
  470    HH   TYR  52            HH      TYR  52  -6.333  -6.854  -6.854
  471    H    ILE  53            HN      ILE  53  -4.854  -9.603  -9.603
  472    HA   ILE  53            HA      ILE  53  -6.835  -8.619  -8.619
  473    HB   ILE  53            HB      ILE  53  -4.309  -7.988  -7.988
  474   1HG1  ILE  53          HG12      ILE  53  -5.120  -6.194  -6.194
  475   2HG1  ILE  53          HG11      ILE  53  -3.753  -7.299  -7.299
  476   1HG2  ILE  53          HG22      ILE  53  -6.644  -7.362  -7.362
  477   2HG2  ILE  53          HG21      ILE  53  -6.605  -6.126  -6.126
  478   3HG2  ILE  53          HG23      ILE  53  -5.432  -6.095  -6.095
  479   1HD1  ILE  53          HD11      ILE  53  -2.963  -6.152  -6.152
  480   2HD1  ILE  53          HD13      ILE  53  -4.186  -4.933  -4.933
  481   3HD1  ILE  53          HD12      ILE  53  -2.870  -5.195  -5.195
  482    H    GLU  54            HN      GLU  54  -6.031  -9.189  -9.189
  483    HA   GLU  54            HA      GLU  54  -4.316 -11.421 -11.421
  484   1HB   GLU  54           HB2      GLU  54  -7.160 -11.805 -11.805
  485   2HB   GLU  54           HB1      GLU  54  -6.562 -12.382 -12.382
  486   1HG   GLU  54           HG2      GLU  54  -4.932 -13.112 -13.112
  487   2HG   GLU  54           HG1      GLU  54  -6.510 -13.890 -13.890
  488    H    MET  55            HN      MET  55  -3.919 -11.818 -11.818
  489    HA   MET  55            HA      MET  55  -4.341  -9.325  -9.325
  490   1HB   MET  55           HB2      MET  55  -2.061 -10.393 -10.393
  491   2HB   MET  55           HB1      MET  55  -2.594 -11.658 -11.658
  492   1HG   MET  55           HG2      MET  55  -2.625 -10.246 -10.246
  493   2HG   MET  55           HG1      MET  55  -2.977  -8.822  -8.822
  494   1HE   MET  55           HE3      MET  55  -1.615  -8.093  -8.093
  495   2HE   MET  55           HE2      MET  55  -0.630  -7.048  -7.048
  496   3HE   MET  55           HE1      MET  55   0.151  -8.135  -8.135
  497    H    LYS  56            HN      LYS  56  -6.140  -9.285  -9.285
  498    HA   LYS  56            HA      LYS  56  -6.900 -11.712 -11.712
  499   1HB   LYS  56           HB2      LYS  56  -8.333  -9.313  -9.313
  500   2HB   LYS  56           HB1      LYS  56  -8.880 -10.093 -10.093
  501   1HG   LYS  56           HG2      LYS  56  -9.072 -12.232 -12.232
  502   2HG   LYS  56           HG1      LYS  56  -8.397 -11.520 -11.520
  503   1HD   LYS  56           HD2      LYS  56 -10.887 -11.693 -11.693
  504   2HD   LYS  56           HD1      LYS  56 -10.334 -10.023 -10.023
  505   1HE   LYS  56           HE2      LYS  56 -10.780  -9.719  -9.719
  506   2HE   LYS  56           HE1      LYS  56 -11.313 -11.397 -11.397
  507   1HZ   LYS  56           HZ2      LYS  56 -12.894 -10.661 -10.661
  508   2HZ   LYS  56           HZ1      LYS  56 -12.637  -9.115  -9.115
  509   3HZ   LYS  56           HZ3      LYS  56 -13.297 -10.341 -10.341
  510    HA   PRO  57            HA      PRO  57  -5.454 -10.117 -10.117
  511   1HB   PRO  57           HB2      PRO  57  -6.749 -11.743 -11.743
  512   2HB   PRO  57           HB1      PRO  57  -5.331 -12.230 -12.230
  513   1HG   PRO  57           HG2      PRO  57  -8.181 -12.912 -12.912
  514   2HG   PRO  57           HG1      PRO  57  -6.741 -13.804 -13.804
  515   1HD   PRO  57           HD2      PRO  57  -8.333 -12.253 -12.253
  516   2HD   PRO  57           HD1      PRO  57  -6.710 -12.882 -12.882
  517    H    HIS  58            HN      HIS  58  -6.707  -9.889  -9.889
  518    HA   HIS  58            HA      HIS  58  -9.304  -8.547  -8.547
  519   1HB   HIS  58           HB2      HIS  58  -6.882  -7.091  -7.091
  520   2HB   HIS  58           HB1      HIS  58  -7.659  -6.910  -6.910
  521    HD1  HIS  58           HD1      HIS  58 -10.508  -6.554  -6.554
  522    HD2  HIS  58           HD2      HIS  58  -7.751  -5.063  -5.063
  523    HE1  HIS  58           HE1      HIS  58 -11.712  -4.758  -4.758
  524    HA   PRO  59            HA      PRO  59  -9.512 -10.863 -10.863
  525   1HB   PRO  59           HB2      PRO  59 -12.241 -10.705 -10.705
  526   2HB   PRO  59           HB1      PRO  59 -11.442 -11.884 -11.884
  527   1HG   PRO  59           HG2      PRO  59 -12.952  -9.417  -9.417
  528   2HG   PRO  59           HG1      PRO  59 -12.688 -10.897 -10.897
  529   1HD   PRO  59           HD2      PRO  59 -11.304  -8.449  -8.449
  530   2HD   PRO  59           HD1      PRO  59 -10.838 -10.019 -10.019
  531    H    GLU  60            HN      GLU  60 -12.235  -8.570  -8.570
  532    HA   GLU  60            HA      GLU  60 -10.697  -6.863  -6.863
  533   1HB   GLU  60           HB2      GLU  60 -12.123  -8.962  -8.962
  534   2HB   GLU  60           HB1      GLU  60 -13.324  -7.672  -7.672
  535   1HG   GLU  60           HG2      GLU  60 -12.302  -7.174  -7.174
  536   2HG   GLU  60           HG1      GLU  60 -11.167  -6.325  -6.325
  537    H    PHE  61            HN      PHE  61 -12.835  -5.409  -5.409
  538    HA   PHE  61            HA      PHE  61 -13.585  -3.803  -3.803
  539   1HB   PHE  61           HB2      PHE  61 -14.273  -3.604  -3.604
  540   2HB   PHE  61           HB1      PHE  61 -14.787  -2.423  -2.423
  541    HD1  PHE  61           HD1      PHE  61 -12.918  -1.410  -1.410
  542    HD2  PHE  61           HD2      PHE  61 -12.174  -3.379  -3.379
  543    HE1  PHE  61           HE1      PHE  61 -10.710  -0.292  -0.292
  544    HE2  PHE  61           HE2      PHE  61  -9.966  -2.261  -2.261
  545    HZ   PHE  61            HZ      PHE  61  -9.234  -0.717  -0.717
  546    H    ILE  62            HN      ILE  62 -16.056  -2.987  -2.987
  547    HA   ILE  62            HA      ILE  62 -17.663  -5.320  -5.320
  548    HB   ILE  62            HB      ILE  62 -19.465  -3.603  -3.603
  549   1HG1  ILE  62          HG12      ILE  62 -17.605  -1.333  -1.333
  550   2HG1  ILE  62          HG11      ILE  62 -17.937  -2.075  -2.075
  551   1HG2  ILE  62          HG22      ILE  62 -16.729  -3.189  -3.189
  552   2HG2  ILE  62          HG21      ILE  62 -18.190  -2.413  -2.413
  553   3HG2  ILE  62          HG23      ILE  62 -18.053  -4.171  -4.171
  554   1HD1  ILE  62          HD13      ILE  62 -20.158  -1.390  -1.390
  555   2HD1  ILE  62          HD12      ILE  62 -19.541  -0.215  -0.215
  556   3HD1  ILE  62          HD11      ILE  62 -20.274  -1.714  -1.714
  557    H    VAL  63            HN      VAL  63 -17.707  -6.431  -6.431
  558    HA   VAL  63            HA      VAL  63 -18.776  -5.196  -5.196
  559    HB   VAL  63            HB      VAL  63 -18.778  -8.146  -8.146
  560   1HG1  VAL  63          HG11      VAL  63 -20.110  -7.488  -7.488
  561   2HG1  VAL  63          HG13      VAL  63 -18.696  -6.675  -6.675
  562   3HG1  VAL  63          HG12      VAL  63 -18.690  -8.427  -8.427
  563   1HG2  VAL  63          HG23      VAL  63 -16.605  -6.275  -6.275
  564   2HG2  VAL  63          HG22      VAL  63 -16.521  -7.625  -7.625
  565   3HG2  VAL  63          HG21      VAL  63 -16.597  -7.932  -7.932
  566    H    THR  64            HN      THR  64 -20.232  -7.524  -7.524
  567    HA   THR  64            HA      THR  64 -22.873  -6.251  -6.251
  568    HB   THR  64            HB      THR  64 -22.693  -9.247  -9.247
  569    HG1  THR  64           HG1      THR  64 -22.239  -9.380  -9.380
  570   1HG2  THR  64          HG23      THR  64 -24.826  -7.721  -7.721
  571   2HG2  THR  64          HG22      THR  64 -24.583  -7.603  -7.603
  572   3HG2  THR  64          HG21      THR  64 -24.842  -9.179  -9.179
  573    H    ASP  65            HN      ASP  65 -21.016  -6.140  -6.140
  574    HA   ASP  65            HA      ASP  65 -22.524  -7.675  -7.675
  575   1HB   ASP  65           HB2      ASP  65 -19.780  -6.390  -6.390
  576   2HB   ASP  65           HB1      ASP  65 -20.554  -7.028  -7.028
  577   1H    SER   1           HT2      SER   1 -13.020 -14.044 -14.044
  578   2H    SER   1           HT1      SER   1 -14.540 -13.471 -13.471
  579   3H    SER   1           HT3      SER   1 -14.137 -13.496 -13.496
  580    HA   SER   1            HA      SER   1 -12.936 -11.621 -11.621
  581   1HB   SER   1           HB2      SER   1 -14.072 -10.868 -10.868
  582   2HB   SER   1           HB1      SER   1 -14.168 -10.039 -10.039
  583    HG   SER   1            HG      SER   1 -15.932 -11.718 -11.718
  584    HA   PRO   2            HA      PRO   2 -10.340 -11.630 -11.630
  585   1HB   PRO   2           HB2      PRO   2 -10.794 -13.551 -13.551
  586   2HB   PRO   2           HB1      PRO   2 -11.602 -11.972 -11.972
  587   1HG   PRO   2           HG2      PRO   2 -12.712 -14.648 -14.648
  588   2HG   PRO   2           HG1      PRO   2 -13.558 -13.202 -13.202
  589   1HD   PRO   2           HD2      PRO   2 -13.429 -14.114 -14.114
  590   2HD   PRO   2           HD1      PRO   2 -14.040 -12.541 -12.541
  591    H    LEU   3            HN      LEU   3  -8.779 -12.449 -12.449
  592    HA   LEU   3            HA      LEU   3  -7.438 -14.868 -14.868
  593   1HB   LEU   3           HB2      LEU   3  -9.453 -15.865 -15.865
  594   2HB   LEU   3           HB1      LEU   3  -8.947 -15.063 -15.063
  595    HG   LEU   3            HG      LEU   3  -6.875 -16.665 -16.665
  596   1HD1  LEU   3          HD13      LEU   3  -9.311 -17.839 -17.839
  597   2HD1  LEU   3          HD12      LEU   3  -7.786 -18.719 -18.719
  598   3HD1  LEU   3          HD11      LEU   3  -8.632 -18.244 -18.244
  599   1HD2  LEU   3          HD21      LEU   3  -7.711 -16.053 -16.053
  600   2HD2  LEU   3          HD23      LEU   3  -6.184 -15.679 -15.679
  601   3HD2  LEU   3          HD22      LEU   3  -6.558 -17.343 -17.343
  602    H    LEU   4            HN      LEU   4  -8.122 -12.543 -12.543
  603    HA   LEU   4            HA      LEU   4  -5.695 -12.891 -12.891
  604   1HB   LEU   4           HB2      LEU   4  -7.424 -10.426 -10.426
  605   2HB   LEU   4           HB1      LEU   4  -6.160 -10.621 -10.621
  606    HG   LEU   4            HG      LEU   4  -8.417 -12.607 -12.607
  607   1HD1  LEU   4          HD11      LEU   4  -9.291 -10.270 -10.270
  608   2HD1  LEU   4          HD13      LEU   4  -8.339 -10.209 -10.209
  609   3HD1  LEU   4          HD12      LEU   4  -9.641 -11.387 -11.387
  610   1HD2  LEU   4          HD22      LEU   4  -6.326 -13.177 -13.177
  611   2HD2  LEU   4          HD21      LEU   4  -7.783 -13.174 -13.174
  612   3HD2  LEU   4          HD23      LEU   4  -6.664 -11.813 -11.813
  613    HA   PRO   5            HA      PRO   5  -3.001 -10.926 -10.926
  614   1HB   PRO   5           HB2      PRO   5  -0.682 -11.049 -11.049
  615   2HB   PRO   5           HB1      PRO   5  -1.350 -12.434 -12.434
  616   1HG   PRO   5           HG2      PRO   5  -1.343 -11.911 -11.911
  617   2HG   PRO   5           HG1      PRO   5  -1.431 -13.456 -13.456
  618   1HD   PRO   5           HD2      PRO   5  -3.611 -12.082 -12.082
  619   2HD   PRO   5           HD1      PRO   5  -3.720 -13.469 -13.469
  620    H    LYS   6            HN      LYS   6  -1.648  -8.902  -8.902
  621    HA   LYS   6            HA      LYS   6  -2.567  -6.963  -6.963
  622   1HB   LYS   6           HB2      LYS   6  -2.492  -6.805  -6.805
  623   2HB   LYS   6           HB1      LYS   6  -1.111  -5.832  -5.832
  624   1HG   LYS   6           HG2      LYS   6  -2.798  -4.812  -4.812
  625   2HG   LYS   6           HG1      LYS   6  -4.026  -5.449  -5.449
  626   1HD   LYS   6           HD2      LYS   6  -3.525  -3.950  -3.950
  627   2HD   LYS   6           HD1      LYS   6  -1.804  -3.942  -3.942
  628   1HE   LYS   6           HE2      LYS   6  -2.601  -2.743  -2.743
  629   2HE   LYS   6           HE1      LYS   6  -4.029  -2.358  -2.358
  630   1HZ   LYS   6           HZ1      LYS   6  -2.302  -1.626  -1.626
  631   2HZ   LYS   6           HZ3      LYS   6  -1.233  -1.550  -1.550
  632   3HZ   LYS   6           HZ2      LYS   6  -2.638  -0.595  -0.595
  633    H    LEU   7            HN      LEU   7  -0.620  -5.011  -5.011
  634    HA   LEU   7            HA      LEU   7   1.922  -6.400  -6.400
  635   1HB   LEU   7           HB2      LEU   7   0.451  -4.268  -4.268
  636   2HB   LEU   7           HB1      LEU   7   2.174  -4.554  -4.554
  637    HG   LEU   7            HG      LEU   7   1.017  -5.824  -5.824
  638   1HD1  LEU   7          HD11      LEU   7   2.909  -6.965  -6.965
  639   2HD1  LEU   7          HD13      LEU   7   1.688  -7.819  -7.819
  640   3HD1  LEU   7          HD12      LEU   7   1.781  -8.063  -8.063
  641   1HD2  LEU   7          HD21      LEU   7  -1.080  -5.929  -5.929
  642   2HD2  LEU   7          HD23      LEU   7  -1.006  -6.843  -6.843
  643   3HD2  LEU   7          HD22      LEU   7  -0.510  -7.597  -7.597
  644    HA   PRO   8            HA      PRO   8   2.534  -2.787  -2.787
  645   1HB   PRO   8           HB2      PRO   8   3.411  -4.197  -4.197
  646   2HB   PRO   8           HB1      PRO   8   1.708  -3.797  -3.797
  647   1HG   PRO   8           HG2      PRO   8   3.096  -6.426  -6.426
  648   2HG   PRO   8           HG1      PRO   8   1.388  -6.092  -6.092
  649   1HD   PRO   8           HD2      PRO   8   2.474  -6.822  -6.822
  650   2HD   PRO   8           HD1      PRO   8   0.850  -6.183  -6.183
  651    HA   PRO   9            HA      PRO   9   6.924  -3.294  -3.294
  652   1HB   PRO   9           HB2      PRO   9   7.688  -0.703  -0.703
  653   2HB   PRO   9           HB1      PRO   9   6.876  -1.214  -1.214
  654   1HG   PRO   9           HG2      PRO   9   5.772   0.347   0.347
  655   2HG   PRO   9           HG1      PRO   9   5.226   0.290   0.290
  656   1HD   PRO   9           HD2      PRO   9   4.045  -1.070  -1.070
  657   2HD   PRO   9           HD1      PRO   9   3.640  -1.286  -1.286
  658    H    LYS  10            HN      LYS  10   9.069  -2.635  -2.635
  659    HA   LYS  10            HA      LYS  10   9.035  -1.943  -1.943
  660   1HB   LYS  10           HB2      LYS  10   8.016  -4.476  -4.476
  661   2HB   LYS  10           HB1      LYS  10   9.728  -4.816  -4.816
  662   1HG   LYS  10           HG2      LYS  10   9.229  -2.899  -2.899
  663   2HG   LYS  10           HG1      LYS  10   7.704  -3.784  -3.784
  664   1HD   LYS  10           HD2      LYS  10   8.918  -5.905  -5.905
  665   2HD   LYS  10           HD1      LYS  10  10.449  -5.029  -5.029
  666   1HE   LYS  10           HE2      LYS  10   8.253  -4.254  -4.254
  667   2HE   LYS  10           HE1      LYS  10   9.295  -5.627  -5.627
  668   1HZ   LYS  10           HZ1      LYS  10  11.203  -4.059  -4.059
  669   2HZ   LYS  10           HZ3      LYS  10  10.069  -2.800  -2.800
  670   3HZ   LYS  10           HZ2      LYS  10  10.333  -3.778  -3.778
  671    H    THR  11            HN      THR  11  11.231  -2.580  -2.580
  672    HA   THR  11            HA      THR  11  13.333  -2.699  -2.699
  673    HB   THR  11            HB      THR  11  14.700  -1.245  -1.245
  674    HG1  THR  11           HG1      THR  11  13.760  -0.406  -0.406
  675   1HG2  THR  11          HG23      THR  11  12.086  -0.194  -0.194
  676   2HG2  THR  11          HG22      THR  11  13.398   0.843   0.843
  677   3HG2  THR  11          HG21      THR  11  13.650  -0.232  -0.232
  678    H    TYR  12            HN      TYR  12  15.590  -3.037  -3.037
  679    HA   TYR  12            HA      TYR  12  15.092  -5.256  -5.256
  680   1HB   TYR  12           HB2      TYR  12  16.461  -5.423  -5.423
  681   2HB   TYR  12           HB1      TYR  12  17.214  -6.287  -6.287
  682    HD1  TYR  12           HD1      TYR  12  16.061  -8.133  -8.133
  683    HD2  TYR  12           HD2      TYR  12  14.250  -6.047  -6.047
  684    HE1  TYR  12           HE1      TYR  12  14.379  -9.942  -9.942
  685    HE2  TYR  12           HE2      TYR  12  12.569  -7.854  -7.854
  686    HH   TYR  12            HH      TYR  12  11.755  -9.882  -9.882
  687    H    LYS  13            HN      LYS  13  18.169  -4.256  -4.256
  688    HA   LYS  13            HA      LYS  13  18.970  -2.754  -2.754
  689   1HB   LYS  13           HB2      LYS  13  19.414  -5.459  -5.459
  690   2HB   LYS  13           HB1      LYS  13  20.915  -4.876  -4.876
  691   1HG   LYS  13           HG2      LYS  13  21.574  -3.793  -3.793
  692   2HG   LYS  13           HG1      LYS  13  19.922  -3.378  -3.378
  693   1HD   LYS  13           HD2      LYS  13  20.336  -4.999  -4.999
  694   2HD   LYS  13           HD1      LYS  13  19.739  -6.031  -6.031
  695   1HE   LYS  13           HE2      LYS  13  22.524  -5.638  -5.638
  696   2HE   LYS  13           HE1      LYS  13  22.331  -6.045  -6.045
  697   1HZ   LYS  13           HZ2      LYS  13  20.920  -7.574  -7.574
  698   2HZ   LYS  13           HZ1      LYS  13  22.529  -7.938  -7.938
  699   3HZ   LYS  13           HZ3      LYS  13  21.315  -8.047  -8.047
  700    H    ARG  14            HN      ARG  14  21.762  -2.787  -2.787
  701    HA   ARG  14            HA      ARG  14  21.833  -1.286  -1.286
  702   1HB   ARG  14           HB2      ARG  14  23.973  -0.346  -0.346
  703   2HB   ARG  14           HB1      ARG  14  22.605  -0.030  -0.030
  704   1HG   ARG  14           HG2      ARG  14  23.260  -1.798  -1.798
  705   2HG   ARG  14           HG1      ARG  14  24.467  -2.394  -2.394
  706   1HD   ARG  14           HD2      ARG  14  24.566   0.385   0.385
  707   2HD   ARG  14           HD1      ARG  14  25.386  -0.999  -0.999
  708    HE   ARG  14            HE      ARG  14  26.298   0.470   0.470
  709   1HH1  ARG  14          HH11      ARG  14  26.001  -1.942  -1.942
  710   2HH1  ARG  14          HH12      ARG  14  27.381  -2.900  -2.900
  711   1HH2  ARG  14          HH21      ARG  14  28.104  -1.084  -1.084
  712   2HH2  ARG  14          HH22      ARG  14  28.569  -2.417  -2.417
  713    H    GLU  15            HN      GLU  15  23.206  -4.062  -4.062
  714    HA   GLU  15            HA      GLU  15  24.862  -4.631  -4.631
  715   1HB   GLU  15           HB2      GLU  15  25.977  -4.311  -4.311
  716   2HB   GLU  15           HB1      GLU  15  25.335  -5.918  -5.918
  717   1HG   GLU  15           HG2      GLU  15  26.598  -6.916  -6.916
  718   2HG   GLU  15           HG1      GLU  15  26.935  -5.360  -5.360

  Start of MODEL   20
    1   1H    GLY  -8           HT1      GLY  -8   7.715 -13.634 -13.634
    2   2H    GLY  -8           HT3      GLY  -8   8.103 -12.849 -12.849
    3   3H    GLY  -8           HT2      GLY  -8   8.916 -12.433 -12.433
    4   1HA   GLY  -8           HA1      GLY  -8   7.304 -10.862 -10.862
    5   2HA   GLY  -8           HA2      GLY  -8   6.161 -11.655 -11.655
    6    H    SER  -7            HN      SER  -7   7.743 -12.781 -12.781
    7    HA   SER  -7            HA      SER  -7   5.478 -12.170 -12.170
    8   1HB   SER  -7           HB2      SER  -7   8.200 -12.801 -12.801
    9   2HB   SER  -7           HB1      SER  -7   6.622 -13.317 -13.317
   10    HG   SER  -7            HG      SER  -7   7.786 -14.979 -14.979
   11    H    ARG  -6            HN      ARG  -6   8.531 -10.566 -10.566
   12    HA   ARG  -6            HA      ARG  -6   8.045  -8.584  -8.584
   13   1HB   ARG  -6           HB2      ARG  -6  10.375  -9.254  -9.254
   14   2HB   ARG  -6           HB1      ARG  -6  10.292  -7.669  -7.669
   15   1HG   ARG  -6           HG2      ARG  -6  10.099  -8.715  -8.715
   16   2HG   ARG  -6           HG1      ARG  -6  10.101 -10.316 -10.316
   17   1HD   ARG  -6           HD2      ARG  -6  12.361  -9.671  -9.671
   18   2HD   ARG  -6           HD1      ARG  -6  12.358  -8.309  -8.309
   19    HE   ARG  -6            HE      ARG  -6  12.962  -9.832  -9.832
   20   1HH1  ARG  -6          HH11      ARG  -6  12.729 -11.632 -11.632
   21   2HH1  ARG  -6          HH12      ARG  -6  12.249 -13.111 -13.111
   22   1HH2  ARG  -6          HH21      ARG  -6  11.719 -11.646 -11.646
   23   2HH2  ARG  -6          HH22      ARG  -6  11.676 -13.118 -13.118
   24    H    ARG  -5            HN      ARG  -5   8.195  -8.847  -8.847
   25    HA   ARG  -5            HA      ARG  -5   7.613  -5.973  -5.973
   26   1HB   ARG  -5           HB2      ARG  -5   8.480  -8.206  -8.206
   27   2HB   ARG  -5           HB1      ARG  -5   7.363  -7.076  -7.076
   28   1HG   ARG  -5           HG2      ARG  -5   8.888  -5.384  -5.384
   29   2HG   ARG  -5           HG1      ARG  -5   9.504  -5.789  -5.789
   30   1HD   ARG  -5           HD2      ARG  -5  11.278  -6.212  -6.212
   31   2HD   ARG  -5           HD1      ARG  -5  10.664  -7.777  -7.777
   32    HE   ARG  -5            HE      ARG  -5   9.861  -8.154  -8.154
   33   1HH1  ARG  -5          HH21      ARG  -5  11.956  -5.622  -5.622
   34   2HH1  ARG  -5          HH22      ARG  -5  11.252  -4.834  -4.834
   35   1HH2  ARG  -5          HH11      ARG  -5   8.405  -6.812  -6.812
   36   2HH2  ARG  -5          HH12      ARG  -5   9.242  -5.507  -5.507
   37    H    ALA  -4            HN      ALA  -4   5.550  -5.262  -5.262
   38    HA   ALA  -4            HA      ALA  -4   3.386  -6.617  -6.617
   39   1HB   ALA  -4           HB1      ALA  -4   3.697  -6.898  -6.898
   40   2HB   ALA  -4           HB3      ALA  -4   2.070  -6.661  -6.661
   41   3HB   ALA  -4           HB2      ALA  -4   3.036  -8.039  -8.039
   42    H    SER  -3            HN      SER  -3   1.359  -5.340  -5.340
   43    HA   SER  -3            HA      SER  -3   1.873  -2.507  -2.507
   44   1HB   SER  -3           HB2      SER  -3  -0.047  -4.029  -4.029
   45   2HB   SER  -3           HB1      SER  -3  -0.918  -3.503  -3.503
   46    HG   SER  -3            HG      SER  -3   0.323  -1.896  -1.896
   47    H    VAL  -2            HN      VAL  -2   0.613  -0.923  -0.923
   48    HA   VAL  -2            HA      VAL  -2   1.098  -1.485  -1.485
   49    HB   VAL  -2            HB      VAL  -2   0.071   0.783   0.783
   50   1HG1  VAL  -2          HG13      VAL  -2   2.507   0.354   0.354
   51   2HG1  VAL  -2          HG12      VAL  -2   2.049   0.788   0.788
   52   3HG1  VAL  -2          HG11      VAL  -2   1.893   1.971   1.971
   53   1HG2  VAL  -2          HG21      VAL  -2  -1.393   0.342   0.342
   54   2HG2  VAL  -2          HG23      VAL  -2  -0.895   1.980   1.980
   55   3HG2  VAL  -2          HG22      VAL  -2  -0.017   1.084   1.084
   56    H    GLY  -1            HN      GLY  -1  -0.939  -0.561  -0.561
   57   1HA   GLY  -1           HA2      GLY  -1  -3.518  -0.762  -0.762
   58   2HA   GLY  -1           HA1      GLY  -1  -3.194  -2.401  -2.401
   59    H    SER   0            HN      SER   0  -3.479  -0.386  -0.386
   60    HA   SER   0            HA      SER   0  -2.020  -1.939  -1.939
   61   1HB   SER   0           HB2      SER   0  -3.902  -0.909  -0.909
   62   2HB   SER   0           HB1      SER   0  -2.641   0.115   0.115
   63    HG   SER   0            HG      SER   0  -5.220  -0.354  -0.354
   64    H    MET   1            HN      MET   1  -2.945  -3.364  -3.364
   65    HA   MET   1            HA      MET   1  -5.240  -4.957  -4.957
   66   1HB   MET   1           HB2      MET   1  -2.691  -5.722  -5.722
   67   2HB   MET   1           HB1      MET   1  -4.131  -6.687  -6.687
   68   1HG   MET   1           HG2      MET   1  -3.025  -7.684  -7.684
   69   2HG   MET   1           HG1      MET   1  -4.492  -6.897  -6.897
   70   1HE   MET   1           HE1      MET   1  -1.148  -7.615  -7.615
   71   2HE   MET   1           HE3      MET   1  -1.477  -7.503  -7.503
   72   3HE   MET   1           HE2      MET   1  -0.285  -6.441  -6.441
   73    H    GLU   2            HN      GLU   2  -6.016  -6.357  -6.357
   74    HA   GLU   2            HA      GLU   2  -6.563  -4.262  -4.262
   75   1HB   GLU   2           HB2      GLU   2  -8.385  -5.544  -5.544
   76   2HB   GLU   2           HB1      GLU   2  -8.559  -6.367  -6.367
   77   1HG   GLU   2           HG2      GLU   2  -9.025  -4.304  -4.304
   78   2HG   GLU   2           HG1      GLU   2  -8.581  -3.356  -3.356
   79    H    ALA   3            HN      ALA   3  -7.427  -5.528  -5.528
   80    HA   ALA   3            HA      ALA   3  -6.264  -8.146  -8.146
   81   1HB   ALA   3           HB3      ALA   3  -5.128  -5.730  -5.730
   82   2HB   ALA   3           HB2      ALA   3  -4.807  -7.389  -7.389
   83   3HB   ALA   3           HB1      ALA   3  -4.301  -6.829  -6.829
   84    H    ILE   4            HN      ILE   4  -7.852  -9.079  -9.079
   85    HA   ILE   4            HA      ILE   4  -9.967  -7.844  -7.844
   86    HB   ILE   4            HB      ILE   4 -10.170 -10.043 -10.043
   87   1HG1  ILE   4          HG12      ILE   4 -10.408 -10.845 -10.845
   88   2HG1  ILE   4          HG11      ILE   4 -11.104  -9.257  -9.257
   89   1HG2  ILE   4          HG22      ILE   4  -7.678 -10.520 -10.520
   90   2HG2  ILE   4          HG21      ILE   4  -8.598 -11.327 -11.327
   91   3HG2  ILE   4          HG23      ILE   4  -8.817 -11.802 -11.802
   92   1HD1  ILE   4          HD13      ILE   4 -11.663 -11.491 -11.491
   93   2HD1  ILE   4          HD12      ILE   4 -12.523 -11.423 -11.423
   94   3HD1  ILE   4          HD11      ILE   4 -12.641 -10.081 -10.081
   95    H    ALA   5            HN      ALA   5 -10.067  -6.923  -6.923
   96    HA   ALA   5            HA      ALA   5  -7.935  -7.197  -7.197
   97   1HB   ALA   5           HB3      ALA   5 -10.631  -5.798  -5.798
   98   2HB   ALA   5           HB2      ALA   5  -9.570  -5.851  -5.851
   99   3HB   ALA   5           HB1      ALA   5  -9.031  -5.053  -5.053
  100    H    LYS   6            HN      LYS   6  -7.903  -9.226  -9.226
  101    HA   LYS   6            HA      LYS   6 -10.171 -10.932 -10.932
  102   1HB   LYS   6           HB2      LYS   6  -7.583 -10.973 -10.973
  103   2HB   LYS   6           HB1      LYS   6  -8.723 -12.308 -12.308
  104   1HG   LYS   6           HG2      LYS   6  -8.191 -12.650 -12.650
  105   2HG   LYS   6           HG1      LYS   6  -7.559 -11.015 -11.015
  106   1HD   LYS   6           HD2      LYS   6  -5.691 -12.553 -12.553
  107   2HD   LYS   6           HD1      LYS   6  -5.678 -11.610 -11.610
  108   1HE   LYS   6           HE2      LYS   6  -6.722 -13.440 -13.440
  109   2HE   LYS   6           HE1      LYS   6  -6.915 -14.370 -14.370
  110   1HZ   LYS   6           HZ3      LYS   6  -4.294 -13.482 -13.482
  111   2HZ   LYS   6           HZ2      LYS   6  -4.961 -15.017 -15.017
  112   3HZ   LYS   6           HZ1      LYS   6  -4.565 -14.544 -14.544
  113    H    TYR   7            HN      TYR   7  -8.848  -8.392  -8.392
  114    HA   TYR   7            HA      TYR   7 -11.110  -8.841  -8.841
  115   1HB   TYR   7           HB2      TYR   7  -8.355  -8.245  -8.245
  116   2HB   TYR   7           HB1      TYR   7  -9.759  -8.845  -8.845
  117    HD1  TYR   7           HD1      TYR   7 -10.703 -11.169 -11.169
  118    HD2  TYR   7           HD2      TYR   7  -6.682  -9.742  -9.742
  119    HE1  TYR   7           HE1      TYR   7  -9.914 -13.494 -13.494
  120    HE2  TYR   7           HE2      TYR   7  -5.887 -12.046 -12.046
  121    HH   TYR   7            HH      TYR   7  -7.622 -14.457 -14.457
  122    H    ASP   8            HN      ASP   8 -10.701  -6.975  -6.975
  123    HA   ASP   8            HA      ASP   8 -10.882  -4.494  -4.494
  124   1HB   ASP   8           HB2      ASP   8 -12.126  -3.626  -3.626
  125   2HB   ASP   8           HB1      ASP   8 -12.697  -5.268  -5.268
  126    H    PHE   9            HN      PHE   9  -9.989  -2.494  -2.494
  127    HA   PHE   9            HA      PHE   9  -7.997  -2.423  -2.423
  128   1HB   PHE   9           HB2      PHE   9  -7.005  -3.816  -3.816
  129   2HB   PHE   9           HB1      PHE   9  -6.381  -2.187  -2.187
  130    HD1  PHE   9           HD2      PHE   9  -7.086  -4.129  -4.129
  131    HD2  PHE   9           HD1      PHE   9  -4.136  -2.207  -2.207
  132    HE1  PHE   9           HE2      PHE   9  -5.362  -4.541  -4.541
  133    HE2  PHE   9           HE1      PHE   9  -2.414  -2.618  -2.618
  134    HZ   PHE   9            HZ      PHE   9  -3.026  -3.785  -3.785
  135    H    LYS  10            HN      LYS  10  -6.453  -0.410  -0.410
  136    HA   LYS  10            HA      LYS  10  -7.791   1.606   1.606
  137   1HB   LYS  10           HB2      LYS  10  -7.955   1.535   1.535
  138   2HB   LYS  10           HB1      LYS  10  -7.383   3.077   3.077
  139   1HG   LYS  10           HG2      LYS  10  -9.348   3.455   3.455
  140   2HG   LYS  10           HG1      LYS  10  -9.788   1.747   1.747
  141   1HD   LYS  10           HD2      LYS  10  -9.647   3.335   3.335
  142   2HD   LYS  10           HD1      LYS  10 -11.115   3.278   3.278
  143   1HE   LYS  10           HE2      LYS  10 -11.488   1.040   1.040
  144   2HE   LYS  10           HE1      LYS  10  -9.774   0.690   0.690
  145   1HZ   LYS  10           HZ2      LYS  10  -9.905   2.044   2.044
  146   2HZ   LYS  10           HZ1      LYS  10 -11.593   2.071   2.071
  147   3HZ   LYS  10           HZ3      LYS  10 -10.790   0.595   0.595
  148    H    ALA  11            HN      ALA  11  -6.541   3.503   3.503
  149    HA   ALA  11            HA      ALA  11  -3.789   2.921   2.921
  150   1HB   ALA  11           HB1      ALA  11  -5.464   5.374   5.374
  151   2HB   ALA  11           HB3      ALA  11  -3.705   5.513   5.513
  152   3HB   ALA  11           HB2      ALA  11  -4.552   4.501   4.501
  153    H    THR  12            HN      THR  12  -2.106   3.182   3.182
  154    HA   THR  12            HA      THR  12  -2.571   5.012   5.012
  155    HB   THR  12            HB      THR  12  -1.663   3.257   3.257
  156    HG1  THR  12           HG1      THR  12  -0.876   1.555   1.555
  157   1HG2  THR  12          HG22      THR  12  -4.202   3.683   3.683
  158   2HG2  THR  12          HG21      THR  12  -4.031   2.005   2.005
  159   3HG2  THR  12          HG23      THR  12  -3.768   2.439   2.439
  160    H    ALA  13            HN      ALA  13  -0.788   5.406   5.406
  161    HA   ALA  13            HA      ALA  13   1.702   5.733   5.733
  162   1HB   ALA  13           HB3      ALA  13   1.484   4.154   4.154
  163   2HB   ALA  13           HB2      ALA  13   3.007   4.867   4.867
  164   3HB   ALA  13           HB1      ALA  13   2.212   3.654   3.654
  165    H    ASP  14            HN      ASP  14  -0.345   7.325   7.325
  166    HA   ASP  14            HA      ASP  14  -0.372   9.475   9.475
  167   1HB   ASP  14           HB2      ASP  14   1.906   9.642   9.642
  168   2HB   ASP  14           HB1      ASP  14   2.600   9.258   9.258
  169    H    ASP  15            HN      ASP  15   1.187   6.864   6.864
  170    HA   ASP  15            HA      ASP  15   0.175   7.931   7.931
  171   1HB   ASP  15           HB2      ASP  15   2.929   6.931   6.931
  172   2HB   ASP  15           HB1      ASP  15   2.257   6.716   6.716
  173    H    GLU  16            HN      GLU  16  -0.786   5.948   5.948
  174    HA   GLU  16            HA      GLU  16  -0.516   3.377   3.377
  175   1HB   GLU  16           HB2      GLU  16  -0.340   3.587   3.587
  176   2HB   GLU  16           HB1      GLU  16  -2.072   3.910   3.910
  177   1HG   GLU  16           HG2      GLU  16  -2.608   1.765   1.765
  178   2HG   GLU  16           HG1      GLU  16  -1.017   1.504   1.504
  179    H    LEU  17            HN      LEU  17  -2.698   2.131   2.131
  180    HA   LEU  17            HA      LEU  17  -4.807   4.039   4.039
  181   1HB   LEU  17           HB2      LEU  17  -3.671   3.032   3.032
  182   2HB   LEU  17           HB1      LEU  17  -3.993   1.423   1.423
  183    HG   LEU  17            HG      LEU  17  -6.467   1.983   1.983
  184   1HD1  LEU  17          HD12      LEU  17  -5.353   4.554   4.554
  185   2HD1  LEU  17          HD11      LEU  17  -6.401   3.955   3.955
  186   3HD1  LEU  17          HD13      LEU  17  -7.026   4.133   4.133
  187   1HD2  LEU  17          HD22      LEU  17  -4.600   1.517   1.517
  188   2HD2  LEU  17          HD21      LEU  17  -6.046   0.622   0.622
  189   3HD2  LEU  17          HD23      LEU  17  -6.193   2.101   2.101
  190    H    SER  18            HN      SER  18  -6.718   3.775   3.775
  191    HA   SER  18            HA      SER  18  -7.152   1.583   1.583
  192   1HB   SER  18           HB2      SER  18  -8.841   2.912   2.912
  193   2HB   SER  18           HB1      SER  18  -7.785   4.106   4.106
  194    HG   SER  18            HG      SER  18  -9.104   4.327   4.327
  195    H    PHE  19            HN      PHE  19  -9.231   0.365   0.365
  196    HA   PHE  19            HA      PHE  19 -10.908   0.175   0.175
  197   1HB   PHE  19           HB2      PHE  19 -10.080  -1.919  -1.919
  198   2HB   PHE  19           HB1      PHE  19  -8.894  -0.626  -0.626
  199    HD1  PHE  19           HD1      PHE  19  -9.796  -3.664  -3.664
  200    HD2  PHE  19           HD2      PHE  19  -6.738  -0.784  -0.784
  201    HE1  PHE  19           HE1      PHE  19  -8.121  -5.075  -5.075
  202    HE2  PHE  19           HE2      PHE  19  -5.066  -2.193  -2.193
  203    HZ   PHE  19            HZ      PHE  19  -5.758  -4.339  -4.339
  204    H    LYS  20            HN      LYS  20 -12.221  -1.914  -1.914
  205    HA   LYS  20            HA      LYS  20 -12.324  -2.892  -2.892
  206   1HB   LYS  20           HB2      LYS  20 -14.602  -2.695  -2.695
  207   2HB   LYS  20           HB1      LYS  20 -14.725  -3.098  -3.098
  208   1HG   LYS  20           HG2      LYS  20 -13.319  -0.579  -0.579
  209   2HG   LYS  20           HG1      LYS  20 -14.936  -0.553  -0.553
  210   1HD   LYS  20           HD2      LYS  20 -15.789  -1.447  -1.447
  211   2HD   LYS  20           HD1      LYS  20 -14.174  -1.160  -1.160
  212   1HE   LYS  20           HE2      LYS  20 -14.382   1.140   1.140
  213   2HE   LYS  20           HE1      LYS  20 -15.515   1.073   1.073
  214   1HZ   LYS  20           HZ2      LYS  20 -16.302  -0.015  -0.015
  215   2HZ   LYS  20           HZ1      LYS  20 -16.360   1.663   1.663
  216   3HZ   LYS  20           HZ3      LYS  20 -17.275   0.624   0.624
  217    H    ARG  21            HN      ARG  21 -13.705  -5.034  -5.034
  218    HA   ARG  21            HA      ARG  21 -12.198  -6.983  -6.983
  219   1HB   ARG  21           HB2      ARG  21 -13.115  -7.370  -7.370
  220   2HB   ARG  21           HB1      ARG  21 -14.748  -7.277  -7.277
  221   1HG   ARG  21           HG2      ARG  21 -14.427  -9.245  -9.245
  222   2HG   ARG  21           HG1      ARG  21 -12.685  -9.237  -9.237
  223   1HD   ARG  21           HD2      ARG  21 -12.946  -9.808  -9.808
  224   2HD   ARG  21           HD1      ARG  21 -14.654  -9.374  -9.374
  225    HE   ARG  21            HE      ARG  21 -14.164 -11.522 -11.522
  226   1HH1  ARG  21          HH11      ARG  21 -13.111 -11.557 -11.557
  227   2HH1  ARG  21          HH12      ARG  21 -14.199 -12.777 -12.777
  228   1HH2  ARG  21          HH21      ARG  21 -16.147 -12.757 -12.757
  229   2HH2  ARG  21          HH22      ARG  21 -15.918 -13.458 -13.458
  230    H    GLY  22            HN      GLY  22 -12.551  -7.061  -7.061
  231   1HA   GLY  22           HA2      GLY  22 -14.038  -8.039  -8.039
  232   2HA   GLY  22           HA1      GLY  22 -15.389  -7.231  -7.231
  233    H    ASP  23            HN      ASP  23 -12.744  -5.149  -5.149
  234    HA   ASP  23            HA      ASP  23 -13.788  -3.658  -3.658
  235   1HB   ASP  23           HB2      ASP  23 -12.961  -2.948  -2.948
  236   2HB   ASP  23           HB1      ASP  23 -11.745  -2.297  -2.297
  237    H    ILE  24            HN      ILE  24 -12.766  -4.435  -4.435
  238    HA   ILE  24            HA      ILE  24 -10.000  -5.305  -5.305
  239    HB   ILE  24            HB      ILE  24 -11.577  -4.705  -4.705
  240   1HG1  ILE  24          HG12      ILE  24 -11.786  -7.068  -7.068
  241   2HG1  ILE  24          HG11      ILE  24 -13.095  -6.040  -6.040
  242   1HG2  ILE  24          HG22      ILE  24  -9.015  -5.484  -5.484
  243   2HG2  ILE  24          HG21      ILE  24  -9.786  -7.064  -7.064
  244   3HG2  ILE  24          HG23      ILE  24  -9.980  -6.021  -6.021
  245   1HD1  ILE  24          HD12      ILE  24 -12.106  -6.992  -6.992
  246   2HD1  ILE  24          HD11      ILE  24 -11.831  -8.364  -8.364
  247   3HD1  ILE  24          HD13      ILE  24 -13.457  -7.713  -7.713
  248    H    LEU  25            HN      LEU  25  -8.216  -4.206  -4.206
  249    HA   LEU  25            HA      LEU  25  -8.482  -1.283  -1.283
  250   1HB   LEU  25           HB2      LEU  25  -5.873  -2.776  -2.776
  251   2HB   LEU  25           HB1      LEU  25  -6.229  -1.098  -1.098
  252    HG   LEU  25            HG      LEU  25  -6.186  -2.099  -2.099
  253   1HD1  LEU  25          HD11      LEU  25  -8.421  -0.972  -0.972
  254   2HD1  LEU  25          HD13      LEU  25  -9.096  -2.588  -2.588
  255   3HD1  LEU  25          HD12      LEU  25  -8.370  -1.975  -1.975
  256   1HD2  LEU  25          HD22      LEU  25  -6.380  -4.467  -4.467
  257   2HD2  LEU  25          HD21      LEU  25  -6.478  -4.313  -4.313
  258   3HD2  LEU  25          HD23      LEU  25  -7.957  -4.411  -4.411
  259    H    LYS  26            HN      LYS  26  -7.036  -0.182  -0.182
  260    HA   LYS  26            HA      LYS  26  -6.790  -1.865  -1.865
  261   1HB   LYS  26           HB2      LYS  26  -8.157   0.428   0.428
  262   2HB   LYS  26           HB1      LYS  26  -6.565   1.111   1.111
  263   1HG   LYS  26           HG2      LYS  26  -6.479   0.244   0.244
  264   2HG   LYS  26           HG1      LYS  26  -7.470  -1.154  -1.154
  265   1HD   LYS  26           HD2      LYS  26  -9.447  -0.032  -0.032
  266   2HD   LYS  26           HD1      LYS  26  -8.772   1.521   1.521
  267   1HE   LYS  26           HE2      LYS  26  -8.965   1.848   1.848
  268   2HE   LYS  26           HE1      LYS  26  -7.318   1.228   1.228
  269   1HZ   LYS  26           HZ3      LYS  26  -8.293  -1.028  -1.028
  270   2HZ   LYS  26           HZ2      LYS  26  -9.773  -0.273  -0.273
  271   3HZ   LYS  26           HZ1      LYS  26  -8.411   0.015   0.015
  272    H    VAL  27            HN      VAL  27  -4.687  -2.724  -2.724
  273    HA   VAL  27            HA      VAL  27  -2.464  -1.332  -1.332
  274    HB   VAL  27            HB      VAL  27  -2.437  -3.543  -3.543
  275   1HG1  VAL  27          HG11      VAL  27  -0.336  -2.116  -2.116
  276   2HG1  VAL  27          HG13      VAL  27  -0.200  -3.875  -3.875
  277   3HG1  VAL  27          HG12      VAL  27  -0.214  -2.963  -2.963
  278   1HG2  VAL  27          HG21      VAL  27  -3.676  -3.917  -3.917
  279   2HG2  VAL  27          HG23      VAL  27  -2.405  -5.073  -5.073
  280   3HG2  VAL  27          HG22      VAL  27  -2.091  -3.787  -3.787
  281    H    LEU  28            HN      LEU  28  -1.870   0.617   0.617
  282    HA   LEU  28            HA      LEU  28  -1.916   1.278   1.278
  283   1HB   LEU  28           HB2      LEU  28  -0.581   3.066   3.066
  284   2HB   LEU  28           HB1      LEU  28  -1.541   3.500   3.500
  285    HG   LEU  28            HG      LEU  28  -3.260   2.112   2.112
  286   1HD1  LEU  28          HD12      LEU  28  -1.557   4.274   4.274
  287   2HD1  LEU  28          HD11      LEU  28  -3.098   3.754   3.754
  288   3HD1  LEU  28          HD13      LEU  28  -1.760   2.613   2.613
  289   1HD2  LEU  28          HD22      LEU  28  -3.313   4.352   4.352
  290   2HD2  LEU  28          HD21      LEU  28  -4.641   3.785   3.785
  291   3HD2  LEU  28          HD23      LEU  28  -3.545   5.024   5.024
  292    H    ASN  29            HN      ASN  29   0.349   0.391   0.391
  293    HA   ASN  29            HA      ASN  29   2.379  -0.431  -0.431
  294   1HB   ASN  29           HB2      ASN  29   2.239   2.369   2.369
  295   2HB   ASN  29           HB1      ASN  29   3.627   1.916   1.916
  296   1HD2  ASN  29          HD22      ASN  29   4.998   0.107   0.107
  297   2HD2  ASN  29          HD21      ASN  29   4.412  -0.434  -0.434
  298    H    GLU  30            HN      GLU  30   4.710   0.274   0.274
  299    HA   GLU  30            HA      GLU  30   5.930  -0.368  -0.368
  300   1HB   GLU  30           HB2      GLU  30   4.167   0.998   0.998
  301   2HB   GLU  30           HB1      GLU  30   3.295  -0.510  -0.510
  302   1HG   GLU  30           HG2      GLU  30   4.734  -1.166  -1.166
  303   2HG   GLU  30           HG1      GLU  30   6.149  -0.678  -0.678
  304    H    GLU  31            HN      GLU  31   6.405  -2.366  -2.366
  305    HA   GLU  31            HA      GLU  31   4.794  -4.737  -4.737
  306   1HB   GLU  31           HB2      GLU  31   7.748  -4.284  -4.284
  307   2HB   GLU  31           HB1      GLU  31   7.033  -5.895  -5.895
  308   1HG   GLU  31           HG2      GLU  31   5.319  -4.890  -4.890
  309   2HG   GLU  31           HG1      GLU  31   6.570  -3.675  -3.675
  310    H    CYS  32            HN      CYS  32   6.220  -6.676  -6.676
  311    HA   CYS  32            HA      CYS  32   5.636  -6.555  -6.555
  312   1HB   CYS  32           HB2      CYS  32   7.937  -8.064  -8.064
  313   2HB   CYS  32           HB1      CYS  32   7.251  -8.387  -8.387
  314    HG   CYS  32            HG      CYS  32   5.071  -9.205  -9.205
  315    H    ASP  33            HN      ASP  33   7.013  -6.299  -6.299
  316    HA   ASP  33            HA      ASP  33   9.525  -4.978  -4.978
  317   1HB   ASP  33           HB2      ASP  33   7.426  -3.320  -3.320
  318   2HB   ASP  33           HB1      ASP  33   7.503  -3.510  -3.510
  319    H    GLN  34            HN      GLN  34   6.904  -5.193  -5.193
  320    HA   GLN  34            HA      GLN  34   8.505  -7.029  -7.029
  321   1HB   GLN  34           HB2      GLN  34   7.714  -4.272  -4.272
  322   2HB   GLN  34           HB1      GLN  34   7.480  -5.532  -5.532
  323   1HG   GLN  34           HG2      GLN  34  10.084  -5.281  -5.281
  324   2HG   GLN  34           HG1      GLN  34   9.771  -4.325  -4.325
  325   1HE2  GLN  34          HE22      GLN  34  10.774  -7.010  -7.010
  326   2HE2  GLN  34          HE21      GLN  34  10.800  -5.340  -5.340
  327    H    ASN  35            HN      ASN  35   6.330  -7.398  -7.398
  328    HA   ASN  35            HA      ASN  35   4.393  -8.645  -8.645
  329   1HB   ASN  35           HB2      ASN  35   4.779  -8.556  -8.556
  330   2HB   ASN  35           HB1      ASN  35   3.178  -8.913  -8.913
  331   1HD2  ASN  35          HD22      ASN  35   4.216 -12.276 -12.276
  332   2HD2  ASN  35          HD21      ASN  35   3.118 -11.190 -11.190
  333    H    TRP  36            HN      TRP  36   4.569  -5.606  -5.606
  334    HA   TRP  36            HA      TRP  36   1.601  -5.166  -5.166
  335   1HB   TRP  36           HB2      TRP  36   3.657  -2.954  -2.954
  336   2HB   TRP  36           HB1      TRP  36   1.911  -2.813  -2.813
  337    HD1  TRP  36           HD1      TRP  36   4.603  -5.221  -5.221
  338    HE1  TRP  36           HE1      TRP  36   4.337  -5.353  -5.353
  339    HE3  TRP  36           HE3      TRP  36   0.620  -2.030  -2.030
  340    HZ2  TRP  36           HZ2      TRP  36   2.743  -4.260  -4.260
  341    HZ3  TRP  36           HZ3      TRP  36  -0.188  -1.582  -1.582
  342    HH2  TRP  36           HH2      TRP  36   0.851  -2.699  -2.699
  343    H    TYR  37            HN      TYR  37   0.941  -3.136  -3.136
  344    HA   TYR  37            HA      TYR  37   2.441  -3.075  -3.075
  345   1HB   TYR  37           HB2      TYR  37  -0.549  -3.554  -3.554
  346   2HB   TYR  37           HB1      TYR  37   0.359  -3.353  -3.353
  347    HD1  TYR  37           HD1      TYR  37   2.755  -5.058  -5.058
  348    HD2  TYR  37           HD2      TYR  37  -1.412  -5.683  -5.683
  349    HE1  TYR  37           HE1      TYR  37   3.095  -7.515  -7.515
  350    HE2  TYR  37           HE2      TYR  37  -1.091  -8.127  -8.127
  351    HH   TYR  37            HH      TYR  37   0.873  -9.649  -9.649
  352    H    LYS  38            HN      LYS  38   1.478  -1.320  -1.320
  353    HA   LYS  38            HA      LYS  38   0.369   0.895   0.895
  354   1HB   LYS  38           HB2      LYS  38   2.522   1.454   1.454
  355   2HB   LYS  38           HB1      LYS  38   1.816   1.051   1.051
  356   1HG   LYS  38           HG2      LYS  38  -0.025   2.810   2.810
  357   2HG   LYS  38           HG1      LYS  38   1.541   3.476   3.476
  358   1HD   LYS  38           HD2      LYS  38   1.818   2.689   2.689
  359   2HD   LYS  38           HD1      LYS  38   0.245   3.477   3.477
  360   1HE   LYS  38           HE2      LYS  38   1.539   5.273   5.273
  361   2HE   LYS  38           HE1      LYS  38   2.959   4.601   4.601
  362   1HZ   LYS  38           HZ2      LYS  38   0.547   5.436   5.436
  363   2HZ   LYS  38           HZ1      LYS  38   1.805   6.521   6.521
  364   3HZ   LYS  38           HZ3      LYS  38   2.112   5.152   5.152
  365    H    ALA  39            HN      ALA  39  -1.754   1.364   1.364
  366    HA   ALA  39            HA      ALA  39  -2.900   0.838   0.838
  367   1HB   ALA  39           HB3      ALA  39  -2.967  -1.332  -1.332
  368   2HB   ALA  39           HB2      ALA  39  -3.877  -0.594  -0.594
  369   3HB   ALA  39           HB1      ALA  39  -4.585  -0.694  -0.694
  370    H    GLU  40            HN      GLU  40  -5.465   1.021   1.021
  371    HA   GLU  40            HA      GLU  40  -5.949   3.327   3.327
  372   1HB   GLU  40           HB2      GLU  40  -5.643   4.855   4.855
  373   2HB   GLU  40           HB1      GLU  40  -4.991   3.580   3.580
  374   1HG   GLU  40           HG2      GLU  40  -7.203   3.218   3.218
  375   2HG   GLU  40           HG1      GLU  40  -7.938   4.365   4.365
  376    H    LEU  41            HN      LEU  41  -7.898   3.537   3.537
  377    HA   LEU  41            HA      LEU  41 -10.012   1.754   1.754
  378   1HB   LEU  41           HB2      LEU  41  -9.488   2.939   2.939
  379   2HB   LEU  41           HB1      LEU  41 -11.177   2.677   2.677
  380    HG   LEU  41            HG      LEU  41  -9.144   0.556   0.556
  381   1HD1  LEU  41          HD11      LEU  41 -10.312   1.484   1.484
  382   2HD1  LEU  41          HD13      LEU  41 -10.281  -0.259  -0.259
  383   3HD1  LEU  41          HD12      LEU  41  -8.779   0.664   0.664
  384   1HD2  LEU  41          HD22      LEU  41 -11.487   0.564   0.564
  385   2HD2  LEU  41          HD21      LEU  41 -11.075  -0.862  -0.862
  386   3HD2  LEU  41          HD23      LEU  41 -12.084   0.411   0.411
  387    H    ASN  42            HN      ASN  42 -10.761   2.724   2.724
  388    HA   ASN  42            HA      ASN  42 -11.877   4.326   4.326
  389   1HB   ASN  42           HB2      ASN  42 -13.275   3.916   3.916
  390   2HB   ASN  42           HB1      ASN  42 -13.862   5.219   5.219
  391   1HD2  ASN  42          HD22      ASN  42 -15.783   2.639   2.639
  392   2HD2  ASN  42          HD21      ASN  42 -15.842   3.974   3.974
  393    H    GLY  43            HN      GLY  43  -9.684   5.619   5.619
  394   1HA   GLY  43           HA2      GLY  43  -9.659   8.211   8.211
  395   2HA   GLY  43           HA1      GLY  43 -10.829   8.276   8.276
  396    H    LYS  44            HN      LYS  44  -9.552   6.345   6.345
  397    HA   LYS  44            HA      LYS  44  -7.389   7.980   7.980
  398   1HB   LYS  44           HB2      LYS  44  -9.079   5.760   5.760
  399   2HB   LYS  44           HB1      LYS  44  -7.465   6.008   6.008
  400   1HG   LYS  44           HG2      LYS  44  -7.935   8.181   8.181
  401   2HG   LYS  44           HG1      LYS  44  -9.353   8.313   8.313
  402   1HD   LYS  44           HD2      LYS  44  -9.125   6.421   6.421
  403   2HD   LYS  44           HD1      LYS  44  -9.967   7.971   7.971
  404   1HE   LYS  44           HE2      LYS  44 -11.097   6.844   6.844
  405   2HE   LYS  44           HE1      LYS  44 -10.787   5.408   5.408
  406   1HZ   LYS  44           HZ1      LYS  44 -11.826   6.792   6.792
  407   2HZ   LYS  44           HZ3      LYS  44 -12.461   7.750   7.750
  408   3HZ   LYS  44           HZ2      LYS  44 -12.855   6.099   6.099
  409    H    ASP  45            HN      ASP  45  -5.532   6.621   6.621
  410    HA   ASP  45            HA      ASP  45  -4.880   4.268   4.268
  411   1HB   ASP  45           HB2      ASP  45  -3.681   5.022   5.022
  412   2HB   ASP  45           HB1      ASP  45  -4.768   6.380   6.380
  413    H    GLY  46            HN      GLY  46  -2.309   3.978   3.978
  414   1HA   GLY  46           HA2      GLY  46  -0.341   4.779   4.779
  415   2HA   GLY  46           HA1      GLY  46  -1.447   4.746   4.746
  416    H    PHE  47            HN      PHE  47   0.466   3.272   3.272
  417    HA   PHE  47            HA      PHE  47   0.890   0.709   0.709
  418   1HB   PHE  47           HB2      PHE  47   1.269   1.806   1.806
  419   2HB   PHE  47           HB1      PHE  47   1.656   0.130   0.130
  420    HD1  PHE  47           HD2      PHE  47   2.388   3.661   3.661
  421    HD2  PHE  47           HD1      PHE  47   3.647  -0.438  -0.438
  422    HE1  PHE  47           HE2      PHE  47   4.556   4.380   4.380
  423    HE2  PHE  47           HE1      PHE  47   5.817   0.282   0.282
  424    HZ   PHE  47            HZ      PHE  47   6.271   2.690   2.690
  425    H    ILE  48            HN      ILE  48   0.194  -1.415  -1.415
  426    HA   ILE  48            HA      ILE  48  -2.197  -1.502  -1.502
  427    HB   ILE  48            HB      ILE  48  -3.308  -3.036  -3.036
  428   1HG1  ILE  48          HG12      ILE  48  -1.680  -1.350  -1.350
  429   2HG1  ILE  48          HG11      ILE  48  -1.153  -2.964  -2.964
  430   1HG2  ILE  48          HG22      ILE  48  -3.996  -0.688  -0.688
  431   2HG2  ILE  48          HG21      ILE  48  -3.125  -0.104  -0.104
  432   3HG2  ILE  48          HG23      ILE  48  -4.506  -1.182  -1.182
  433   1HD1  ILE  48          HD12      ILE  48  -3.904  -2.392  -2.392
  434   2HD1  ILE  48          HD11      ILE  48  -2.535  -2.871  -2.871
  435   3HD1  ILE  48          HD13      ILE  48  -3.147  -3.967  -3.967
  436    HA   PRO  49            HA      PRO  49   0.519  -4.948  -4.948
  437   1HB   PRO  49           HB2      PRO  49  -0.961  -5.931  -5.931
  438   2HB   PRO  49           HB1      PRO  49   0.259  -4.650  -4.650
  439   1HG   PRO  49           HG2      PRO  49  -2.742  -4.418  -4.418
  440   2HG   PRO  49           HG1      PRO  49  -1.556  -3.380  -3.380
  441   1HD   PRO  49           HD2      PRO  49  -2.787  -2.701  -2.701
  442   2HD   PRO  49           HD1      PRO  49  -1.270  -2.037  -2.037
  443    H    LYS  50            HN      LYS  50   0.369  -6.430  -6.430
  444    HA   LYS  50            HA      LYS  50  -1.760  -7.610  -7.610
  445   1HB   LYS  50           HB2      LYS  50   0.650  -7.731  -7.731
  446   2HB   LYS  50           HB1      LYS  50   0.865  -8.900  -8.900
  447   1HG   LYS  50           HG2      LYS  50  -0.910 -10.304 -10.304
  448   2HG   LYS  50           HG1      LYS  50  -0.728  -9.215  -9.215
  449   1HD   LYS  50           HD2      LYS  50   1.712  -9.646  -9.646
  450   2HD   LYS  50           HD1      LYS  50   1.495 -10.771 -10.771
  451   1HE   LYS  50           HE2      LYS  50  -0.296 -11.341 -11.341
  452   2HE   LYS  50           HE1      LYS  50   1.412 -11.460 -11.460
  453   1HZ   LYS  50           HZ3      LYS  50   0.456 -12.687 -12.687
  454   2HZ   LYS  50           HZ2      LYS  50   0.185 -13.487 -13.487
  455   3HZ   LYS  50           HZ1      LYS  50   1.769 -13.125 -13.125
  456    H    ASN  51            HN      ASN  51  -0.771  -8.360  -8.360
  457    HA   ASN  51            HA      ASN  51  -1.659 -10.975 -10.975
  458   1HB   ASN  51           HB2      ASN  51  -1.089  -8.829  -8.829
  459   2HB   ASN  51           HB1      ASN  51  -2.023 -10.151 -10.151
  460   1HD2  ASN  51          HD22      ASN  51   1.940 -10.620 -10.620
  461   2HD2  ASN  51          HD21      ASN  51   1.165  -9.127  -9.127
  462    H    TYR  52            HN      TYR  52  -3.321  -7.971  -7.971
  463    HA   TYR  52            HA      TYR  52  -5.919  -9.255  -9.255
  464   1HB   TYR  52           HB2      TYR  52  -5.154  -6.333  -6.333
  465   2HB   TYR  52           HB1      TYR  52  -6.756  -6.896  -6.896
  466    HD1  TYR  52           HD2      TYR  52  -3.251  -7.444  -7.444
  467    HD2  TYR  52           HD1      TYR  52  -7.336  -6.579  -6.579
  468    HE1  TYR  52           HE2      TYR  52  -2.690  -7.226  -7.226
  469    HE2  TYR  52           HE1      TYR  52  -6.772  -6.338  -6.338
  470    HH   TYR  52            HH      TYR  52  -3.545  -6.140  -6.140
  471    H    ILE  53            HN      ILE  53  -4.377  -9.631  -9.631
  472    HA   ILE  53            HA      ILE  53  -6.434  -8.832  -8.832
  473    HB   ILE  53            HB      ILE  53  -3.841  -8.031  -8.031
  474   1HG1  ILE  53          HG12      ILE  53  -5.231  -6.207  -6.207
  475   2HG1  ILE  53          HG11      ILE  53  -3.790  -7.143  -7.143
  476   1HG2  ILE  53          HG21      ILE  53  -6.664  -7.180  -7.180
  477   2HG2  ILE  53          HG23      ILE  53  -5.426  -5.994  -5.994
  478   3HG2  ILE  53          HG22      ILE  53  -5.503  -7.491  -7.491
  479   1HD1  ILE  53          HD13      ILE  53  -2.824  -6.086  -6.086
  480   2HD1  ILE  53          HD12      ILE  53  -4.112  -4.899  -4.899
  481   3HD1  ILE  53          HD11      ILE  53  -2.888  -5.109  -5.109
  482    H    GLU  54            HN      GLU  54  -5.788  -9.397  -9.397
  483    HA   GLU  54            HA      GLU  54  -3.910 -11.499 -11.499
  484   1HB   GLU  54           HB2      GLU  54  -6.741 -12.022 -12.022
  485   2HB   GLU  54           HB1      GLU  54  -6.100 -12.547 -12.547
  486   1HG   GLU  54           HG2      GLU  54  -4.693 -13.239 -13.239
  487   2HG   GLU  54           HG1      GLU  54  -6.019 -14.233 -14.233
  488    H    MET  55            HN      MET  55  -3.528 -11.781 -11.781
  489    HA   MET  55            HA      MET  55  -4.104  -9.254  -9.254
  490   1HB   MET  55           HB2      MET  55  -1.784 -10.363 -10.363
  491   2HB   MET  55           HB1      MET  55  -2.322 -11.439 -11.439
  492   1HG   MET  55           HG2      MET  55  -2.939  -9.323  -9.323
  493   2HG   MET  55           HG1      MET  55  -2.012  -8.435  -8.435
  494   1HE   MET  55           HE3      MET  55  -2.432 -10.508 -10.508
  495   2HE   MET  55           HE2      MET  55  -0.974 -10.237 -10.237
  496   3HE   MET  55           HE1      MET  55  -1.132 -11.708 -11.708
  497    H    LYS  56            HN      LYS  56  -5.893  -9.196  -9.196
  498    HA   LYS  56            HA      LYS  56  -6.601 -11.571 -11.571
  499   1HB   LYS  56           HB2      LYS  56  -8.088  -9.298  -9.298
  500   2HB   LYS  56           HB1      LYS  56  -8.653  -9.987  -9.987
  501   1HG   LYS  56           HG2      LYS  56  -8.352 -12.274 -12.274
  502   2HG   LYS  56           HG1      LYS  56  -8.322 -11.333 -11.333
  503   1HD   LYS  56           HD2      LYS  56 -10.571 -11.403 -11.403
  504   2HD   LYS  56           HD1      LYS  56 -10.611 -12.118 -12.118
  505   1HE   LYS  56           HE2      LYS  56 -11.439 -10.169 -10.169
  506   2HE   LYS  56           HE1      LYS  56  -9.890  -9.415  -9.415
  507   1HZ   LYS  56           HZ1      LYS  56 -11.903  -9.826  -9.826
  508   2HZ   LYS  56           HZ3      LYS  56 -12.026  -8.496  -8.496
  509   3HZ   LYS  56           HZ2      LYS  56 -10.647  -8.687  -8.687
  510    HA   PRO  57            HA      PRO  57  -5.296  -9.776  -9.776
  511   1HB   PRO  57           HB2      PRO  57  -6.788 -11.127 -11.127
  512   2HB   PRO  57           HB1      PRO  57  -5.397 -11.797 -11.797
  513   1HG   PRO  57           HG2      PRO  57  -8.278 -12.277 -12.277
  514   2HG   PRO  57           HG1      PRO  57  -6.904 -13.321 -13.321
  515   1HD   PRO  57           HD2      PRO  57  -8.278 -11.811 -11.811
  516   2HD   PRO  57           HD1      PRO  57  -6.695 -12.586 -12.586
  517    H    HIS  58            HN      HIS  58  -8.336 -10.138 -10.138
  518    HA   HIS  58            HA      HIS  58  -8.785  -7.209  -7.209
  519   1HB   HIS  58           HB2      HIS  58  -9.504  -8.814  -8.814
  520   2HB   HIS  58           HB1      HIS  58  -9.434  -7.062  -7.062
  521    HD1  HIS  58           HD1      HIS  58  -7.675  -9.149  -9.149
  522    HD2  HIS  58           HD2      HIS  58  -6.384  -6.903  -6.903
  523    HE1  HIS  58           HE1      HIS  58  -5.166  -8.897  -8.897
  524    HA   PRO  59            HA      PRO  59 -13.031  -9.491  -9.491
  525   1HB   PRO  59           HB2      PRO  59 -13.238 -10.599 -10.599
  526   2HB   PRO  59           HB1      PRO  59 -12.767 -11.516 -11.516
  527   1HG   PRO  59           HG2      PRO  59 -11.049 -10.533 -10.533
  528   2HG   PRO  59           HG1      PRO  59 -10.828 -11.944 -11.944
  529   1HD   PRO  59           HD2      PRO  59  -9.454  -9.505  -9.505
  530   2HD   PRO  59           HD1      PRO  59  -9.594 -10.768 -10.768
  531    H    GLU  60            HN      GLU  60 -13.975  -7.462  -7.462
  532    HA   GLU  60            HA      GLU  60 -13.416  -5.606  -5.606
  533   1HB   GLU  60           HB2      GLU  60 -15.463  -5.841  -5.841
  534   2HB   GLU  60           HB1      GLU  60 -15.812  -4.741  -4.741
  535   1HG   GLU  60           HG2      GLU  60 -13.230  -4.069  -4.069
  536   2HG   GLU  60           HG1      GLU  60 -13.742  -4.548  -4.548
  537    H    PHE  61            HN      PHE  61 -16.661  -7.001  -7.001
  538    HA   PHE  61            HA      PHE  61 -16.772  -7.948  -7.948
  539   1HB   PHE  61           HB2      PHE  61 -18.177  -5.522  -5.522
  540   2HB   PHE  61           HB1      PHE  61 -19.111  -6.609  -6.609
  541    HD1  PHE  61           HD2      PHE  61 -17.654  -7.543  -7.543
  542    HD2  PHE  61           HD1      PHE  61 -17.033  -3.814  -3.814
  543    HE1  PHE  61           HE2      PHE  61 -16.510  -6.637  -6.637
  544    HE2  PHE  61           HE1      PHE  61 -15.889  -2.908  -2.908
  545    HZ   PHE  61            HZ      PHE  61 -15.627  -4.319  -4.319
  546    H    ILE  62            HN      ILE  62 -19.238  -7.092  -7.092
  547    HA   ILE  62            HA      ILE  62 -19.797  -9.986  -9.986
  548    HB   ILE  62            HB      ILE  62 -21.302  -9.214  -9.214
  549   1HG1  ILE  62          HG12      ILE  62 -23.519  -9.514  -9.514
  550   2HG1  ILE  62          HG11      ILE  62 -22.298 -10.088 -10.088
  551   1HG2  ILE  62          HG22      ILE  62 -21.297  -6.799  -6.799
  552   2HG2  ILE  62          HG21      ILE  62 -22.601  -7.360  -7.360
  553   3HG2  ILE  62          HG23      ILE  62 -22.796  -7.406  -7.406
  554   1HD1  ILE  62          HD13      ILE  62 -21.410 -11.531 -11.531
  555   2HD1  ILE  62          HD12      ILE  62 -22.916 -11.147 -11.147
  556   3HD1  ILE  62          HD11      ILE  62 -22.955 -12.017 -12.017
  557    H    VAL  63            HN      VAL  63 -20.500 -10.455 -10.455
  558    HA   VAL  63            HA      VAL  63 -20.415  -8.216  -8.216
  559    HB   VAL  63            HB      VAL  63 -20.431 -10.062 -10.062
  560   1HG1  VAL  63          HG13      VAL  63 -18.392  -9.860  -9.860
  561   2HG1  VAL  63          HG12      VAL  63 -18.191 -11.096 -11.096
  562   3HG1  VAL  63          HG11      VAL  63 -18.259  -9.393  -9.393
  563   1HG2  VAL  63          HG22      VAL  63 -21.613 -11.581 -11.581
  564   2HG2  VAL  63          HG21      VAL  63 -20.622 -12.289 -12.289
  565   3HG2  VAL  63          HG23      VAL  63 -19.939 -12.032 -12.032
  566    H    THR  64            HN      THR  64 -22.105  -8.163  -8.163
  567    HA   THR  64            HA      THR  64 -24.777  -8.534  -8.534
  568    HB   THR  64            HB      THR  64 -24.400  -7.441  -7.441
  569    HG1  THR  64           HG1      THR  64 -23.890  -5.410  -5.410
  570   1HG2  THR  64          HG22      THR  64 -26.150  -6.876  -6.876
  571   2HG2  THR  64          HG21      THR  64 -26.091  -5.796  -5.796
  572   3HG2  THR  64          HG23      THR  64 -26.637  -7.461  -7.461
  573    H    ASP  65            HN      ASP  65 -23.053  -9.481  -9.481
  574    HA   ASP  65            HA      ASP  65 -24.605 -11.990 -11.990
  575   1HB   ASP  65           HB2      ASP  65 -25.712  -9.971  -9.971
  576   2HB   ASP  65           HB1      ASP  65 -24.538 -10.491 -10.491
  577   1H    SER   1           HT2      SER   1 -10.277 -16.129 -16.129
  578   2H    SER   1           HT1      SER   1  -9.524 -17.154 -17.154
  579   3H    SER   1           HT3      SER   1 -10.081 -17.779 -17.779
  580    HA   SER   1            HA      SER   1  -8.439 -16.626 -16.626
  581   1HB   SER   1           HB2      SER   1  -7.551 -18.119 -18.119
  582   2HB   SER   1           HB1      SER   1  -6.332 -17.372 -17.372
  583    HG   SER   1            HG      SER   1  -7.053 -18.590 -18.590
  584    HA   PRO   2            HA      PRO   2  -7.096 -12.715 -12.715
  585   1HB   PRO   2           HB2      PRO   2  -4.775 -12.349 -12.349
  586   2HB   PRO   2           HB1      PRO   2  -6.391 -12.191 -12.191
  587   1HG   PRO   2           HG2      PRO   2  -4.410 -14.406 -14.406
  588   2HG   PRO   2           HG1      PRO   2  -5.692 -13.882 -13.882
  589   1HD   PRO   2           HD2      PRO   2  -5.805 -16.127 -16.127
  590   2HD   PRO   2           HD1      PRO   2  -7.181 -15.400 -15.400
  591    H    LEU   3            HN      LEU   3  -6.534 -13.137 -13.137
  592    HA   LEU   3            HA      LEU   3  -3.691 -13.068 -13.068
  593   1HB   LEU   3           HB2      LEU   3  -4.441 -15.578 -15.578
  594   2HB   LEU   3           HB1      LEU   3  -5.115 -15.425 -15.425
  595    HG   LEU   3            HG      LEU   3  -2.824 -16.334 -16.334
  596   1HD1  LEU   3          HD13      LEU   3  -3.714 -14.748 -14.748
  597   2HD1  LEU   3          HD12      LEU   3  -2.781 -13.475 -13.475
  598   3HD1  LEU   3          HD11      LEU   3  -1.957 -14.870 -14.870
  599   1HD2  LEU   3          HD22      LEU   3  -2.257 -14.827 -14.827
  600   2HD2  LEU   3          HD21      LEU   3  -1.002 -15.375 -15.375
  601   3HD2  LEU   3          HD23      LEU   3  -1.650 -13.740 -13.740
  602    H    LEU   4            HN      LEU   4  -4.385 -11.145 -11.145
  603    HA   LEU   4            HA      LEU   4  -4.920 -11.364 -11.364
  604   1HB   LEU   4           HB2      LEU   4  -7.275 -11.896 -11.896
  605   2HB   LEU   4           HB1      LEU   4  -7.403 -10.159 -10.159
  606    HG   LEU   4            HG      LEU   4  -8.392 -11.368 -11.368
  607   1HD1  LEU   4          HD12      LEU   4  -6.652  -9.252  -9.252
  608   2HD1  LEU   4          HD11      LEU   4  -5.942 -10.366 -10.366
  609   3HD1  LEU   4          HD13      LEU   4  -7.617  -9.841  -9.841
  610   1HD2  LEU   4          HD21      LEU   4  -6.745 -13.349 -13.349
  611   2HD2  LEU   4          HD23      LEU   4  -7.198 -12.905 -12.905
  612   3HD2  LEU   4          HD22      LEU   4  -5.638 -12.403 -12.403
  613    HA   PRO   5            HA      PRO   5  -5.174  -6.796  -6.796
  614   1HB   PRO   5           HB2      PRO   5  -5.641  -6.081  -6.081
  615   2HB   PRO   5           HB1      PRO   5  -6.936  -6.396  -6.396
  616   1HG   PRO   5           HG2      PRO   5  -6.058  -8.065  -8.065
  617   2HG   PRO   5           HG1      PRO   5  -7.608  -8.069  -8.069
  618   1HD   PRO   5           HD2      PRO   5  -5.443  -9.924  -9.924
  619   2HD   PRO   5           HD1      PRO   5  -6.950  -9.866  -9.866
  620    H    LYS   6            HN      LYS   6  -2.818  -8.337  -8.337
  621    HA   LYS   6            HA      LYS   6  -1.116  -6.592  -6.592
  622   1HB   LYS   6           HB2      LYS   6  -1.929  -8.898  -8.898
  623   2HB   LYS   6           HB1      LYS   6  -0.500  -9.480  -9.480
  624   1HG   LYS   6           HG2      LYS   6   0.733  -8.654  -8.654
  625   2HG   LYS   6           HG1      LYS   6   0.324  -7.044  -7.044
  626   1HD   LYS   6           HD2      LYS   6  -1.920  -7.535  -7.535
  627   2HD   LYS   6           HD1      LYS   6  -0.822  -8.572  -8.572
  628   1HE   LYS   6           HE2      LYS   6   0.293  -6.805  -6.805
  629   2HE   LYS   6           HE1      LYS   6   0.269  -5.900  -5.900
  630   1HZ   LYS   6           HZ1      LYS   6  -2.143  -5.499  -5.499
  631   2HZ   LYS   6           HZ3      LYS   6  -1.910  -6.146  -6.146
  632   3HZ   LYS   6           HZ2      LYS   6  -1.081  -4.736  -4.736
  633    H    LEU   7            HN      LEU   7   0.491  -5.991  -5.991
  634    HA   LEU   7            HA      LEU   7   1.475  -7.983  -7.983
  635   1HB   LEU   7           HB2      LEU   7   1.036  -5.010  -5.010
  636   2HB   LEU   7           HB1      LEU   7   2.164  -5.844  -5.844
  637    HG   LEU   7            HG      LEU   7  -0.697  -6.753  -6.753
  638   1HD1  LEU   7          HD12      LEU   7  -0.423  -4.376  -4.376
  639   2HD1  LEU   7          HD11      LEU   7   0.331  -5.144  -5.144
  640   3HD1  LEU   7          HD13      LEU   7  -1.341  -5.520  -5.520
  641   1HD2  LEU   7          HD21      LEU   7   1.413  -8.097  -8.097
  642   2HD2  LEU   7          HD23      LEU   7  -0.243  -8.309  -8.309
  643   3HD2  LEU   7          HD22      LEU   7   0.857  -7.236  -7.236
  644    HA   PRO   8            HA      PRO   8   4.993  -6.912  -6.912
  645   1HB   PRO   8           HB2      PRO   8   5.935  -9.481  -9.481
  646   2HB   PRO   8           HB1      PRO   8   4.692  -8.786  -8.786
  647   1HG   PRO   8           HG2      PRO   8   4.379 -10.779 -10.779
  648   2HG   PRO   8           HG1      PRO   8   3.364 -10.519 -10.519
  649   1HD   PRO   8           HD2      PRO   8   2.792  -9.628  -9.628
  650   2HD   PRO   8           HD1      PRO   8   1.953  -9.126  -9.126
  651    HA   PRO   9            HA      PRO   9   7.896  -7.085  -7.085
  652   1HB   PRO   9           HB2      PRO   9  10.197  -6.424  -6.424
  653   2HB   PRO   9           HB1      PRO   9   8.944  -5.245  -5.245
  654   1HG   PRO   9           HG2      PRO   9   9.575  -6.415  -6.415
  655   2HG   PRO   9           HG1      PRO   9   8.799  -4.871  -4.871
  656   1HD   PRO   9           HD2      PRO   9   7.479  -7.241  -7.241
  657   2HD   PRO   9           HD1      PRO   9   6.705  -5.785  -5.785
  658    H    LYS  10            HN      LYS  10   9.323  -8.426  -8.426
  659    HA   LYS  10            HA      LYS  10   9.705 -11.050 -11.050
  660   1HB   LYS  10           HB2      LYS  10  11.870  -9.061  -9.061
  661   2HB   LYS  10           HB1      LYS  10  12.308 -10.585 -10.585
  662   1HG   LYS  10           HG2      LYS  10  10.916 -10.685 -10.685
  663   2HG   LYS  10           HG1      LYS  10  12.625 -10.246 -10.246
  664   1HD   LYS  10           HD2      LYS  10  13.120 -12.303 -12.303
  665   2HD   LYS  10           HD1      LYS  10  11.415 -12.750 -12.750
  666   1HE   LYS  10           HE2      LYS  10  11.868 -12.335 -12.335
  667   2HE   LYS  10           HE1      LYS  10  13.491 -12.819 -12.819
  668   1HZ   LYS  10           HZ2      LYS  10  11.080 -14.360 -14.360
  669   2HZ   LYS  10           HZ1      LYS  10  11.924 -14.656 -14.656
  670   3HZ   LYS  10           HZ3      LYS  10  12.705 -14.856 -14.856
  671    H    THR  11            HN      THR  11  11.304 -12.316 -12.316
  672    HA   THR  11            HA      THR  11  10.232 -11.641 -11.641
  673    HB   THR  11            HB      THR  11   9.223 -13.697 -13.697
  674    HG1  THR  11           HG1      THR  11   9.665 -13.812 -13.812
  675   1HG2  THR  11          HG22      THR  11  12.075 -14.341 -14.341
  676   2HG2  THR  11          HG21      THR  11  10.952 -15.655 -15.655
  677   3HG2  THR  11          HG23      THR  11  10.626 -14.550 -14.550
  678    H    TYR  12            HN      TYR  12  13.087 -12.050 -12.050
  679    HA   TYR  12            HA      TYR  12  14.892 -13.093 -13.093
  680   1HB   TYR  12           HB2      TYR  12  15.370 -12.743 -12.743
  681   2HB   TYR  12           HB1      TYR  12  15.542 -11.023 -11.023
  682    HD1  TYR  12           HD1      TYR  12  16.928 -14.392 -14.392
  683    HD2  TYR  12           HD2      TYR  12  17.483 -10.153 -10.153
  684    HE1  TYR  12           HE1      TYR  12  19.266 -14.771 -14.771
  685    HE2  TYR  12           HE2      TYR  12  19.820 -10.533 -10.533
  686    HH   TYR  12            HH      TYR  12  21.575 -12.405 -12.405
  687    H    LYS  13            HN      LYS  13  13.798  -9.775  -9.775
  688    HA   LYS  13            HA      LYS  13  13.901  -7.837  -7.837
  689   1HB   LYS  13           HB2      LYS  13  14.683  -9.702  -9.702
  690   2HB   LYS  13           HB1      LYS  13  13.998  -8.085  -8.085
  691   1HG   LYS  13           HG2      LYS  13  11.886  -8.778  -8.778
  692   2HG   LYS  13           HG1      LYS  13  12.536 -10.277 -10.277
  693   1HD   LYS  13           HD2      LYS  13  11.420 -10.913 -10.913
  694   2HD   LYS  13           HD1      LYS  13  13.138 -10.912 -10.912
  695   1HE   LYS  13           HE2      LYS  13  12.690  -9.472  -9.472
  696   2HE   LYS  13           HE1      LYS  13  12.240  -8.268  -8.268
  697   1HZ   LYS  13           HZ1      LYS  13  10.397 -10.338 -10.338
  698   2HZ   LYS  13           HZ3      LYS  13  10.474  -8.748  -8.748
  699   3HZ   LYS  13           HZ2      LYS  13   9.998  -9.043  -9.043
  700    H    ARG  14            HN      ARG  14  15.521  -6.389  -6.389
  701    HA   ARG  14            HA      ARG  14  18.324  -7.332  -7.332
  702   1HB   ARG  14           HB2      ARG  14  17.052  -5.452  -5.452
  703   2HB   ARG  14           HB1      ARG  14  18.607  -4.934  -4.934
  704   1HG   ARG  14           HG2      ARG  14  19.288  -7.446  -7.446
  705   2HG   ARG  14           HG1      ARG  14  17.966  -7.307  -7.307
  706   1HD   ARG  14           HD2      ARG  14  19.674  -4.945  -4.945
  707   2HD   ARG  14           HD1      ARG  14  20.595  -6.418  -6.418
  708    HE   ARG  14            HE      ARG  14  19.516  -6.545  -6.545
  709   1HH1  ARG  14          HH21      ARG  14  16.883  -7.086  -7.086
  710   2HH1  ARG  14          HH22      ARG  14  16.010  -5.607  -5.607
  711   1HH2  ARG  14          HH11      ARG  14  18.737  -3.584  -3.584
  712   2HH2  ARG  14          HH12      ARG  14  17.060  -3.625  -3.625
  713    H    GLU  15            HN      GLU  15  19.648  -4.998  -4.998
  714    HA   GLU  15            HA      GLU  15  19.048  -4.392  -4.392
  715   1HB   GLU  15           HB2      GLU  15  20.714  -2.548  -2.548
  716   2HB   GLU  15           HB1      GLU  15  21.304  -4.099  -4.099
  717   1HG   GLU  15           HG2      GLU  15  21.244  -3.435  -3.435
  718   2HG   GLU  15           HG1      GLU  15  19.859  -2.372  -2.372

  Start of MODEL   21
    1   1H    GLY  -8           HT3      GLY  -8  10.914 -12.232 -12.232
    2   2H    GLY  -8           HT2      GLY  -8  11.187 -13.638 -13.638
    3   3H    GLY  -8           HT1      GLY  -8   9.614 -13.013 -13.013
    4   1HA   GLY  -8           HA1      GLY  -8  10.292 -12.138 -12.138
    5   2HA   GLY  -8           HA2      GLY  -8  12.008 -12.061 -12.061
    6    H    SER  -7            HN      SER  -7   8.689 -11.131 -11.131
    7    HA   SER  -7            HA      SER  -7   8.914  -8.422  -8.422
    8   1HB   SER  -7           HB2      SER  -7   7.614  -8.949  -8.949
    9   2HB   SER  -7           HB1      SER  -7   8.092  -7.400  -7.400
   10    HG   SER  -7            HG      SER  -7   9.861  -7.745  -7.745
   11    H    ARG  -6            HN      ARG  -6   7.486 -10.841 -10.841
   12    HA   ARG  -6            HA      ARG  -6   4.652  -9.938  -9.938
   13   1HB   ARG  -6           HB2      ARG  -6   5.756 -12.593 -12.593
   14   2HB   ARG  -6           HB1      ARG  -6   4.047 -12.195 -12.195
   15   1HG   ARG  -6           HG2      ARG  -6   4.586 -11.657 -11.657
   16   2HG   ARG  -6           HG1      ARG  -6   6.113 -12.497 -12.497
   17   1HD   ARG  -6           HD2      ARG  -6   4.473 -14.338 -14.338
   18   2HD   ARG  -6           HD1      ARG  -6   3.336 -13.588 -13.588
   19    HE   ARG  -6            HE      ARG  -6   5.978 -14.429 -14.429
   20   1HH1  ARG  -6          HH11      ARG  -6   4.848 -14.259 -14.259
   21   2HH1  ARG  -6          HH12      ARG  -6   3.719 -15.553 -15.553
   22   1HH2  ARG  -6          HH21      ARG  -6   3.537 -16.358 -16.358
   23   2HH2  ARG  -6          HH22      ARG  -6   2.978 -16.742 -16.742
   24    H    ARG  -5            HN      ARG  -5   4.874  -8.238  -8.238
   25    HA   ARG  -5            HA      ARG  -5   5.060  -9.268  -9.268
   26   1HB   ARG  -5           HB2      ARG  -5   6.960  -7.687  -7.687
   27   2HB   ARG  -5           HB1      ARG  -5   5.787  -6.431  -6.431
   28   1HG   ARG  -5           HG2      ARG  -5   5.928  -6.819  -6.819
   29   2HG   ARG  -5           HG1      ARG  -5   6.336  -8.522  -8.522
   30   1HD   ARG  -5           HD2      ARG  -5   8.307  -6.551  -6.551
   31   2HD   ARG  -5           HD1      ARG  -5   8.162  -6.675  -6.675
   32    HE   ARG  -5            HE      ARG  -5   9.183  -8.764  -8.764
   33   1HH1  ARG  -5          HH11      ARG  -5   8.211 -10.817 -10.817
   34   2HH1  ARG  -5          HH12      ARG  -5   8.768 -10.894 -10.894
   35   1HH2  ARG  -5          HH21      ARG  -5   9.792  -7.582  -7.582
   36   2HH2  ARG  -5          HH22      ARG  -5   9.663  -9.062  -9.062
   37    H    ALA  -4            HN      ALA  -4   3.100  -9.072  -9.072
   38    HA   ALA  -4            HA      ALA  -4   1.157  -7.089  -7.089
   39   1HB   ALA  -4           HB3      ALA  -4   0.878  -9.316  -9.316
   40   2HB   ALA  -4           HB2      ALA  -4  -0.441  -8.268  -8.268
   41   3HB   ALA  -4           HB1      ALA  -4   0.329  -9.358  -9.358
   42    H    SER  -3            HN      SER  -3   1.968  -5.118  -5.118
   43    HA   SER  -3            HA      SER  -3   1.398  -4.675  -4.675
   44   1HB   SER  -3           HB2      SER  -3   3.785  -3.470  -3.470
   45   2HB   SER  -3           HB1      SER  -3   3.599  -5.164  -5.164
   46    HG   SER  -3            HG      SER  -3   5.270  -4.752  -4.752
   47    H    VAL  -2            HN      VAL  -2   0.094  -3.672  -3.672
   48    HA   VAL  -2            HA      VAL  -2   0.964  -0.805  -0.805
   49    HB   VAL  -2            HB      VAL  -2  -0.631  -2.246  -2.246
   50   1HG1  VAL  -2          HG12      VAL  -2  -0.852   0.302   0.302
   51   2HG1  VAL  -2          HG11      VAL  -2   0.813   0.399   0.399
   52   3HG1  VAL  -2          HG13      VAL  -2  -0.445  -0.242  -0.242
   53   1HG2  VAL  -2          HG22      VAL  -2   1.722  -3.063  -3.063
   54   2HG2  VAL  -2          HG21      VAL  -2   1.431  -2.194  -2.194
   55   3HG2  VAL  -2          HG23      VAL  -2   2.285  -1.403  -1.403
   56    H    GLY  -1            HN      GLY  -1  -0.328  -0.470  -0.470
   57   1HA   GLY  -1           HA2      GLY  -1  -2.643   0.824   0.824
   58   2HA   GLY  -1           HA1      GLY  -1  -3.265  -0.805  -0.805
   59    H    SER   0            HN      SER   0  -3.705  -2.004  -2.004
   60    HA   SER   0            HA      SER   0  -2.126  -2.020  -2.020
   61   1HB   SER   0           HB2      SER   0  -4.178  -0.980  -0.980
   62   2HB   SER   0           HB1      SER   0  -2.857   0.026   0.026
   63    HG   SER   0            HG      SER   0  -4.825   0.916   0.916
   64    H    MET   1            HN      MET   1  -3.023  -3.444  -3.444
   65    HA   MET   1            HA      MET   1  -5.235  -5.150  -5.150
   66   1HB   MET   1           HB2      MET   1  -2.712  -5.744  -5.744
   67   2HB   MET   1           HB1      MET   1  -4.121  -6.750  -6.750
   68   1HG   MET   1           HG2      MET   1  -2.875  -7.778  -7.778
   69   2HG   MET   1           HG1      MET   1  -4.380  -7.131  -7.131
   70   1HE   MET   1           HE2      MET   1  -0.940  -6.601  -6.601
   71   2HE   MET   1           HE1      MET   1  -0.099  -5.999  -5.999
   72   3HE   MET   1           HE3      MET   1  -0.815  -4.865  -4.865
   73    H    GLU   2            HN      GLU   2  -5.982  -6.466  -6.466
   74    HA   GLU   2            HA      GLU   2  -6.657  -4.299  -4.299
   75   1HB   GLU   2           HB2      GLU   2  -8.397  -5.708  -5.708
   76   2HB   GLU   2           HB1      GLU   2  -8.675  -6.346  -6.346
   77   1HG   GLU   2           HG2      GLU   2  -9.399  -4.299  -4.299
   78   2HG   GLU   2           HG1      GLU   2  -8.502  -3.379  -3.379
   79    H    ALA   3            HN      ALA   3  -7.507  -5.444  -5.444
   80    HA   ALA   3            HA      ALA   3  -6.404  -8.107  -8.107
   81   1HB   ALA   3           HB3      ALA   3  -5.209  -5.628  -5.628
   82   2HB   ALA   3           HB2      ALA   3  -5.268  -7.065  -7.065
   83   3HB   ALA   3           HB1      ALA   3  -4.436  -7.123  -7.123
   84    H    ILE   4            HN      ILE   4  -7.973  -9.078  -9.078
   85    HA   ILE   4            HA      ILE   4 -10.174  -7.793  -7.793
   86    HB   ILE   4            HB      ILE   4 -10.375  -9.973  -9.973
   87   1HG1  ILE   4          HG12      ILE   4 -10.730 -10.797 -10.797
   88   2HG1  ILE   4          HG11      ILE   4 -11.387  -9.195  -9.195
   89   1HG2  ILE   4          HG23      ILE   4  -7.916 -10.481 -10.481
   90   2HG2  ILE   4          HG22      ILE   4  -8.964 -11.382 -11.382
   91   3HG2  ILE   4          HG21      ILE   4  -9.004 -11.709 -11.709
   92   1HD1  ILE   4          HD12      ILE   4 -11.910 -11.491 -11.491
   93   2HD1  ILE   4          HD11      ILE   4 -12.893 -11.231 -11.231
   94   3HD1  ILE   4          HD13      ILE   4 -12.816  -9.991  -9.991
   95    H    ALA   5            HN      ALA   5 -10.205  -6.752  -6.752
   96    HA   ALA   5            HA      ALA   5  -8.202  -7.127  -7.127
   97   1HB   ALA   5           HB2      ALA   5 -10.790  -5.556  -5.556
   98   2HB   ALA   5           HB1      ALA   5  -9.946  -5.728  -5.728
   99   3HB   ALA   5           HB3      ALA   5  -9.146  -4.941  -4.941
  100    H    LYS   6            HN      LYS   6  -8.318  -9.061  -9.061
  101    HA   LYS   6            HA      LYS   6 -10.669 -10.699 -10.699
  102   1HB   LYS   6           HB2      LYS   6  -8.190 -10.852 -10.852
  103   2HB   LYS   6           HB1      LYS   6  -9.361 -12.141 -12.141
  104   1HG   LYS   6           HG2      LYS   6  -8.689 -12.452 -12.452
  105   2HG   LYS   6           HG1      LYS   6  -7.981 -10.843 -10.843
  106   1HD   LYS   6           HD2      LYS   6  -6.185 -12.447 -12.447
  107   2HD   LYS   6           HD1      LYS   6  -6.245 -11.551 -11.551
  108   1HE   LYS   6           HE2      LYS   6  -6.979 -13.370 -13.370
  109   2HE   LYS   6           HE1      LYS   6  -7.885 -14.032 -14.032
  110   1HZ   LYS   6           HZ1      LYS   6  -5.711 -14.575 -14.575
  111   2HZ   LYS   6           HZ3      LYS   6  -4.948 -14.115 -14.115
  112   3HZ   LYS   6           HZ2      LYS   6  -6.023 -15.431 -15.431
  113    H    TYR   7            HN      TYR   7  -9.417  -8.190  -8.190
  114    HA   TYR   7            HA      TYR   7 -11.807  -8.531  -8.531
  115   1HB   TYR   7           HB2      TYR   7  -9.105  -8.188  -8.188
  116   2HB   TYR   7           HB1      TYR   7 -10.618  -8.681  -8.681
  117    HD1  TYR   7           HD1      TYR   7 -11.647 -10.942 -10.942
  118    HD2  TYR   7           HD2      TYR   7  -7.560  -9.785  -9.785
  119    HE1  TYR   7           HE1      TYR   7 -11.032 -13.317 -13.317
  120    HE2  TYR   7           HE2      TYR   7  -6.935 -12.149 -12.149
  121    HH   TYR   7            HH      TYR   7  -8.809 -14.434 -14.434
  122    H    ASP   8            HN      ASP   8 -11.392  -6.756  -6.756
  123    HA   ASP   8            HA      ASP   8 -11.459  -4.213  -4.213
  124   1HB   ASP   8           HB2      ASP   8 -12.622  -5.267  -5.267
  125   2HB   ASP   8           HB1      ASP   8 -11.534  -3.986  -3.986
  126    H    PHE   9            HN      PHE   9 -10.231  -2.343  -2.343
  127    HA   PHE   9            HA      PHE   9  -8.015  -2.577  -2.577
  128   1HB   PHE   9           HB2      PHE   9  -7.489  -3.888  -3.888
  129   2HB   PHE   9           HB1      PHE   9  -6.693  -2.333  -2.333
  130    HD1  PHE   9           HD1      PHE   9  -6.296  -2.209  -2.209
  131    HD2  PHE   9           HD2      PHE   9  -5.276  -4.991  -4.991
  132    HE1  PHE   9           HE1      PHE   9  -4.386  -3.025  -3.025
  133    HE2  PHE   9           HE2      PHE   9  -3.372  -5.812  -5.812
  134    HZ   PHE   9            HZ      PHE   9  -2.927  -4.829  -4.829
  135    H    LYS  10            HN      LYS  10  -6.351  -0.679  -0.679
  136    HA   LYS  10            HA      LYS  10  -7.658   1.545   1.545
  137   1HB   LYS  10           HB2      LYS  10  -8.253   1.441   1.441
  138   2HB   LYS  10           HB1      LYS  10  -6.634   2.111   2.111
  139   1HG   LYS  10           HG2      LYS  10  -7.195   4.109   4.109
  140   2HG   LYS  10           HG1      LYS  10  -8.408   3.370   3.370
  141   1HD   LYS  10           HD2      LYS  10  -9.643   4.640   4.640
  142   2HD   LYS  10           HD1      LYS  10  -9.775   2.963   2.963
  143   1HE   LYS  10           HE2      LYS  10  -7.682   3.459   3.459
  144   2HE   LYS  10           HE1      LYS  10  -8.052   5.158   5.158
  145   1HZ   LYS  10           HZ2      LYS  10 -10.054   3.239   3.239
  146   2HZ   LYS  10           HZ1      LYS  10  -9.050   4.157   4.157
  147   3HZ   LYS  10           HZ3      LYS  10 -10.142   4.935   4.935
  148    H    ALA  11            HN      ALA  11  -6.219   3.468   3.468
  149    HA   ALA  11            HA      ALA  11  -3.568   2.532   2.532
  150   1HB   ALA  11           HB1      ALA  11  -4.778   5.298   5.298
  151   2HB   ALA  11           HB3      ALA  11  -3.211   4.843   4.843
  152   3HB   ALA  11           HB2      ALA  11  -4.696   4.141   4.141
  153    H    THR  12            HN      THR  12  -1.749   2.818   2.818
  154    HA   THR  12            HA      THR  12  -2.142   4.333   4.333
  155    HB   THR  12            HB      THR  12  -0.004   2.961   2.961
  156    HG1  THR  12           HG1      THR  12  -1.104   1.342   1.342
  157   1HG2  THR  12          HG22      THR  12  -2.725   1.683   1.683
  158   2HG2  THR  12          HG21      THR  12  -1.458   1.064   1.064
  159   3HG2  THR  12          HG23      THR  12  -2.205   2.627   2.627
  160    H    ALA  13            HN      ALA  13   0.482   3.559   3.559
  161    HA   ALA  13            HA      ALA  13   2.167   5.746   5.746
  162   1HB   ALA  13           HB1      ALA  13   2.042   4.003   4.003
  163   2HB   ALA  13           HB3      ALA  13   3.146   5.379   5.379
  164   3HB   ALA  13           HB2      ALA  13   3.287   4.063   4.063
  165    H    ASP  14            HN      ASP  14   2.789   7.460   7.460
  166    HA   ASP  14            HA      ASP  14   0.514   9.120   9.120
  167   1HB   ASP  14           HB2      ASP  14   2.968   9.655   9.655
  168   2HB   ASP  14           HB1      ASP  14   3.233   9.566   9.566
  169    H    ASP  15            HN      ASP  15   1.900   6.609   6.609
  170    HA   ASP  15            HA      ASP  15   0.513   7.541   7.541
  171   1HB   ASP  15           HB2      ASP  15   3.300   6.522   6.522
  172   2HB   ASP  15           HB1      ASP  15   2.393   6.152   6.152
  173    H    GLU  16            HN      GLU  16  -0.298   5.713   5.713
  174    HA   GLU  16            HA      GLU  16  -0.248   3.067   3.067
  175   1HB   GLU  16           HB2      GLU  16   0.077   3.495   3.495
  176   2HB   GLU  16           HB1      GLU  16  -1.675   3.675   3.675
  177   1HG   GLU  16           HG2      GLU  16  -2.057   1.468   1.468
  178   2HG   GLU  16           HG1      GLU  16  -0.629   1.320   1.320
  179    H    LEU  17            HN      LEU  17  -2.519   1.913   1.913
  180    HA   LEU  17            HA      LEU  17  -4.587   3.856   3.856
  181   1HB   LEU  17           HB2      LEU  17  -3.642   2.778   2.778
  182   2HB   LEU  17           HB1      LEU  17  -3.846   1.195   1.195
  183    HG   LEU  17            HG      LEU  17  -6.363   1.727   1.727
  184   1HD1  LEU  17          HD13      LEU  17  -5.337   4.196   4.196
  185   2HD1  LEU  17          HD12      LEU  17  -6.393   3.437   3.437
  186   3HD1  LEU  17          HD11      LEU  17  -6.996   3.785   3.785
  187   1HD2  LEU  17          HD23      LEU  17  -4.661   1.106   1.106
  188   2HD2  LEU  17          HD22      LEU  17  -5.894   0.121   0.121
  189   3HD2  LEU  17          HD21      LEU  17  -6.371   1.427   1.427
  190    H    SER  18            HN      SER  18  -6.691   3.438   3.438
  191    HA   SER  18            HA      SER  18  -7.068   1.414   1.414
  192   1HB   SER  18           HB2      SER  18  -9.040   3.429   3.429
  193   2HB   SER  18           HB1      SER  18  -8.739   2.754   2.754
  194    HG   SER  18            HG      SER  18  -7.978   4.957   4.957
  195    H    PHE  19            HN      PHE  19  -9.175   0.219   0.219
  196    HA   PHE  19            HA      PHE  19 -10.864   0.146   0.146
  197   1HB   PHE  19           HB2      PHE  19 -10.154  -1.971  -1.971
  198   2HB   PHE  19           HB1      PHE  19  -8.888  -0.755  -0.755
  199    HD1  PHE  19           HD1      PHE  19  -9.950  -3.874  -3.874
  200    HD2  PHE  19           HD2      PHE  19  -6.824  -0.946  -0.946
  201    HE1  PHE  19           HE1      PHE  19  -8.369  -5.422  -5.422
  202    HE2  PHE  19           HE2      PHE  19  -5.251  -2.489  -2.489
  203    HZ   PHE  19            HZ      PHE  19  -6.023  -4.727  -4.727
  204    H    LYS  20            HN      LYS  20 -12.270  -1.873  -1.873
  205    HA   LYS  20            HA      LYS  20 -12.593  -2.784  -2.784
  206   1HB   LYS  20           HB2      LYS  20 -14.711  -2.516  -2.516
  207   2HB   LYS  20           HB1      LYS  20 -14.979  -2.906  -2.906
  208   1HG   LYS  20           HG2      LYS  20 -13.432  -0.443  -0.443
  209   2HG   LYS  20           HG1      LYS  20 -15.052  -0.368  -0.368
  210   1HD   LYS  20           HD2      LYS  20 -14.452  -1.242  -1.242
  211   2HD   LYS  20           HD1      LYS  20 -14.935   0.392   0.392
  212   1HE   LYS  20           HE2      LYS  20 -16.997  -0.611  -0.611
  213   2HE   LYS  20           HE1      LYS  20 -16.542  -2.152  -2.152
  214   1HZ   LYS  20           HZ3      LYS  20 -17.006   0.371   0.371
  215   2HZ   LYS  20           HZ2      LYS  20 -18.106  -0.919  -0.919
  216   3HZ   LYS  20           HZ1      LYS  20 -16.617  -1.133  -1.133
  217    H    ARG  21            HN      ARG  21 -14.103  -4.828  -4.828
  218    HA   ARG  21            HA      ARG  21 -12.620  -6.956  -6.956
  219   1HB   ARG  21           HB2      ARG  21 -13.755  -7.067  -7.067
  220   2HB   ARG  21           HB1      ARG  21 -15.307  -7.021  -7.021
  221   1HG   ARG  21           HG2      ARG  21 -15.078  -9.161  -9.161
  222   2HG   ARG  21           HG1      ARG  21 -13.314  -9.068  -9.068
  223   1HD   ARG  21           HD2      ARG  21 -13.090  -9.581  -9.581
  224   2HD   ARG  21           HD1      ARG  21 -14.661  -8.901  -8.901
  225    HE   ARG  21            HE      ARG  21 -14.444 -11.490 -11.490
  226   1HH1  ARG  21          HH11      ARG  21 -17.078 -10.097 -10.097
  227   2HH1  ARG  21          HH12      ARG  21 -17.547 -11.004 -11.004
  228   1HH2  ARG  21          HH21      ARG  21 -14.412 -12.410 -12.410
  229   2HH2  ARG  21          HH22      ARG  21 -16.038 -12.313 -12.313
  230    H    GLY  22            HN      GLY  22 -12.825  -6.791  -6.791
  231   1HA   GLY  22           HA2      GLY  22 -14.214  -7.938  -7.938
  232   2HA   GLY  22           HA1      GLY  22 -15.615  -7.142  -7.142
  233    H    ASP  23            HN      ASP  23 -13.024  -4.981  -4.981
  234    HA   ASP  23            HA      ASP  23 -14.076  -3.575  -3.575
  235   1HB   ASP  23           HB2      ASP  23 -13.069  -2.830  -2.830
  236   2HB   ASP  23           HB1      ASP  23 -12.031  -2.125  -2.125
  237    H    ILE  24            HN      ILE  24 -13.063  -4.619  -4.619
  238    HA   ILE  24            HA      ILE  24 -10.276  -5.347  -5.347
  239    HB   ILE  24            HB      ILE  24 -11.832  -4.919  -4.919
  240   1HG1  ILE  24          HG12      ILE  24 -12.043  -7.133  -7.133
  241   2HG1  ILE  24          HG11      ILE  24 -13.354  -6.225  -6.225
  242   1HG2  ILE  24          HG21      ILE  24  -9.250  -5.608  -5.608
  243   2HG2  ILE  24          HG23      ILE  24  -9.982  -7.205  -7.205
  244   3HG2  ILE  24          HG22      ILE  24 -10.175  -6.241  -6.241
  245   1HD1  ILE  24          HD12      ILE  24 -12.122  -7.382  -7.382
  246   2HD1  ILE  24          HD11      ILE  24 -11.981  -8.627  -8.627
  247   3HD1  ILE  24          HD13      ILE  24 -13.567  -8.000  -8.000
  248    H    LEU  25            HN      LEU  25  -8.558  -4.152  -4.152
  249    HA   LEU  25            HA      LEU  25  -8.873  -1.284  -1.284
  250   1HB   LEU  25           HB2      LEU  25  -6.086  -2.186  -2.186
  251   2HB   LEU  25           HB1      LEU  25  -6.941  -0.999  -0.999
  252    HG   LEU  25            HG      LEU  25  -6.904  -4.017  -4.017
  253   1HD1  LEU  25          HD13      LEU  25  -4.995  -2.325  -2.325
  254   2HD1  LEU  25          HD12      LEU  25  -6.113  -2.001  -2.001
  255   3HD1  LEU  25          HD11      LEU  25  -5.508  -3.637  -3.637
  256   1HD2  LEU  25          HD23      LEU  25  -9.030  -2.305  -2.305
  257   2HD2  LEU  25          HD22      LEU  25  -8.717  -3.879  -3.879
  258   3HD2  LEU  25          HD21      LEU  25  -8.122  -2.405  -2.405
  259    H    LYS  26            HN      LYS  26  -7.225  -0.214  -0.214
  260    HA   LYS  26            HA      LYS  26  -7.068  -1.870  -1.870
  261   1HB   LYS  26           HB2      LYS  26  -8.460   0.279   0.279
  262   2HB   LYS  26           HB1      LYS  26  -6.927   1.144   1.144
  263   1HG   LYS  26           HG2      LYS  26  -6.318   0.658   0.658
  264   2HG   LYS  26           HG1      LYS  26  -7.087  -0.930  -0.930
  265   1HD   LYS  26           HD2      LYS  26  -8.572   0.149   0.149
  266   2HD   LYS  26           HD1      LYS  26  -9.296   0.580   0.580
  267   1HE   LYS  26           HE2      LYS  26  -9.128   2.693   2.693
  268   2HE   LYS  26           HE1      LYS  26  -7.519   2.580   2.580
  269   1HZ   LYS  26           HZ3      LYS  26  -6.721   1.720   1.720
  270   2HZ   LYS  26           HZ2      LYS  26  -8.260   2.001   2.001
  271   3HZ   LYS  26           HZ1      LYS  26  -7.322   3.302   3.302
  272    H    VAL  27            HN      VAL  27  -5.014  -2.800  -2.800
  273    HA   VAL  27            HA      VAL  27  -2.725  -1.509  -1.509
  274    HB   VAL  27            HB      VAL  27  -2.824  -3.730  -3.730
  275   1HG1  VAL  27          HG11      VAL  27  -0.607  -2.359  -2.359
  276   2HG1  VAL  27          HG13      VAL  27  -0.671  -3.529  -3.529
  277   3HG1  VAL  27          HG12      VAL  27  -0.583  -4.083  -4.083
  278   1HG2  VAL  27          HG22      VAL  27  -3.982  -3.788  -3.788
  279   2HG2  VAL  27          HG21      VAL  27  -3.275  -5.207  -5.207
  280   3HG2  VAL  27          HG23      VAL  27  -2.342  -4.290  -4.290
  281    H    LEU  28            HN      LEU  28  -2.021   0.392   0.392
  282    HA   LEU  28            HA      LEU  28  -1.985   0.937   0.937
  283   1HB   LEU  28           HB2      LEU  28  -0.638   2.879   2.879
  284   2HB   LEU  28           HB1      LEU  28  -1.772   3.173   3.173
  285    HG   LEU  28            HG      LEU  28  -3.371   1.965   1.965
  286   1HD1  LEU  28          HD11      LEU  28  -1.267   3.693   3.693
  287   2HD1  LEU  28          HD13      LEU  28  -2.833   3.368   3.368
  288   3HD1  LEU  28          HD12      LEU  28  -1.718   2.041   2.041
  289   1HD2  LEU  28          HD21      LEU  28  -2.923   4.649   4.649
  290   2HD2  LEU  28          HD23      LEU  28  -4.438   3.799   3.799
  291   3HD2  LEU  28          HD22      LEU  28  -3.650   4.685   4.685
  292    H    ASN  29            HN      ASN  29   0.113  -0.038  -0.038
  293    HA   ASN  29            HA      ASN  29   2.232  -0.747  -0.747
  294   1HB   ASN  29           HB2      ASN  29   2.209   1.935   1.935
  295   2HB   ASN  29           HB1      ASN  29   3.252   1.398   1.398
  296   1HD2  ASN  29          HD22      ASN  29   4.514   0.513   0.513
  297   2HD2  ASN  29          HD21      ASN  29   2.851   0.480   0.480
  298    H    GLU  30            HN      GLU  30   4.438  -0.499  -0.499
  299    HA   GLU  30            HA      GLU  30   3.788  -1.456  -1.456
  300   1HB   GLU  30           HB2      GLU  30   3.367  -3.406  -3.406
  301   2HB   GLU  30           HB1      GLU  30   5.101  -3.621  -3.621
  302   1HG   GLU  30           HG2      GLU  30   4.343  -3.361  -3.361
  303   2HG   GLU  30           HG1      GLU  30   2.862  -4.049  -4.049
  304    H    GLU  31            HN      GLU  31   5.377   0.330   0.330
  305    HA   GLU  31            HA      GLU  31   8.069   0.234   0.234
  306   1HB   GLU  31           HB2      GLU  31   7.097   1.358   1.358
  307   2HB   GLU  31           HB1      GLU  31   8.585   1.796   1.796
  308   1HG   GLU  31           HG2      GLU  31   6.070   2.046   2.046
  309   2HG   GLU  31           HG1      GLU  31   6.288   3.204   3.204
  310    H    CYS  32            HN      CYS  32   9.824   0.164   0.164
  311    HA   CYS  32            HA      CYS  32  10.329  -2.576  -2.576
  312   1HB   CYS  32           HB2      CYS  32  11.116  -0.313  -0.313
  313   2HB   CYS  32           HB1      CYS  32  11.785  -1.950  -1.950
  314    HG   CYS  32            HG      CYS  32  12.206  -1.110  -1.110
  315    H    ASP  33            HN      ASP  33   9.812  -4.011  -4.011
  316    HA   ASP  33            HA      ASP  33   8.687  -3.760  -3.760
  317   1HB   ASP  33           HB2      ASP  33   6.721  -2.612  -2.612
  318   2HB   ASP  33           HB1      ASP  33   6.714  -3.321  -3.321
  319    H    GLN  34            HN      GLN  34   7.510  -5.809  -5.809
  320    HA   GLN  34            HA      GLN  34   8.183  -7.989  -7.989
  321   1HB   GLN  34           HB2      GLN  34   9.233  -7.530  -7.530
  322   2HB   GLN  34           HB1      GLN  34   8.790  -9.194  -9.194
  323   1HG   GLN  34           HG2      GLN  34  10.336  -7.763  -7.763
  324   2HG   GLN  34           HG1      GLN  34  11.213  -8.120  -8.120
  325   1HE2  GLN  34          HE22      GLN  34  10.563 -11.085 -11.085
  326   2HE2  GLN  34          HE21      GLN  34  10.327  -9.446  -9.446
  327    H    ASN  35            HN      ASN  35   5.713  -6.640  -6.640
  328    HA   ASN  35            HA      ASN  35   4.054  -9.026  -9.026
  329   1HB   ASN  35           HB2      ASN  35   5.094  -8.130  -8.130
  330   2HB   ASN  35           HB1      ASN  35   3.422  -8.673  -8.673
  331   1HD2  ASN  35          HD22      ASN  35   6.229 -11.454 -11.454
  332   2HD2  ASN  35          HD21      ASN  35   6.415  -9.845  -9.845
  333    H    TRP  36            HN      TRP  36   4.071  -5.954  -5.954
  334    HA   TRP  36            HA      TRP  36   1.200  -5.574  -5.574
  335   1HB   TRP  36           HB2      TRP  36   3.159  -3.265  -3.265
  336   2HB   TRP  36           HB1      TRP  36   1.446  -3.257  -3.257
  337    HD1  TRP  36           HD1      TRP  36   4.410  -5.555  -5.555
  338    HE1  TRP  36           HE1      TRP  36   4.363  -5.670  -5.670
  339    HE3  TRP  36           HE3      TRP  36   0.399  -2.474  -2.474
  340    HZ2  TRP  36           HZ2      TRP  36   2.950  -4.604  -4.604
  341    HZ3  TRP  36           HZ3      TRP  36  -0.202  -2.038  -2.038
  342    HH2  TRP  36           HH2      TRP  36   1.051  -3.103  -3.103
  343    H    TYR  37            HN      TYR  37   0.093  -4.424  -4.424
  344    HA   TYR  37            HA      TYR  37   1.659  -4.037  -4.037
  345   1HB   TYR  37           HB2      TYR  37  -1.320  -4.242  -4.242
  346   2HB   TYR  37           HB1      TYR  37  -0.612  -3.932  -3.932
  347    HD1  TYR  37           HD2      TYR  37   1.672  -5.785  -5.785
  348    HD2  TYR  37           HD1      TYR  37  -2.268  -6.325  -6.325
  349    HE1  TYR  37           HE2      TYR  37   1.841  -8.232  -8.232
  350    HE2  TYR  37           HE1      TYR  37  -2.114  -8.755  -8.755
  351    HH   TYR  37            HH      TYR  37  -0.567 -10.471 -10.471
  352    H    LYS  38            HN      LYS  38   1.080  -2.118  -2.118
  353    HA   LYS  38            HA      LYS  38   0.267   0.244   0.244
  354   1HB   LYS  38           HB2      LYS  38   2.504   0.209   0.209
  355   2HB   LYS  38           HB1      LYS  38   1.472   0.366   0.366
  356   1HG   LYS  38           HG2      LYS  38   0.475   2.261   2.261
  357   2HG   LYS  38           HG1      LYS  38   2.227   2.374   2.374
  358   1HD   LYS  38           HD2      LYS  38   1.737   2.136   2.136
  359   2HD   LYS  38           HD1      LYS  38   0.522   3.267   3.267
  360   1HE   LYS  38           HE2      LYS  38   2.353   4.519   4.519
  361   2HE   LYS  38           HE1      LYS  38   3.516   3.456   3.456
  362   1HZ   LYS  38           HZ2      LYS  38   1.513   5.091   5.091
  363   2HZ   LYS  38           HZ1      LYS  38   3.113   5.591   5.591
  364   3HZ   LYS  38           HZ3      LYS  38   2.809   4.218   4.218
  365    H    ALA  39            HN      ALA  39  -1.867   0.818   0.818
  366    HA   ALA  39            HA      ALA  39  -3.042   0.529   0.529
  367   1HB   ALA  39           HB3      ALA  39  -3.319  -1.652  -1.652
  368   2HB   ALA  39           HB2      ALA  39  -4.135  -0.864  -0.864
  369   3HB   ALA  39           HB1      ALA  39  -4.870  -0.854  -0.854
  370    H    GLU  40            HN      GLU  40  -5.568   0.926   0.926
  371    HA   GLU  40            HA      GLU  40  -5.888   3.204   3.204
  372   1HB   GLU  40           HB2      GLU  40  -5.548   4.770   4.770
  373   2HB   GLU  40           HB1      GLU  40  -4.904   3.499   3.499
  374   1HG   GLU  40           HG2      GLU  40  -7.103   3.218   3.218
  375   2HG   GLU  40           HG1      GLU  40  -7.827   4.360   4.360
  376    H    LEU  41            HN      LEU  41  -7.824   3.430   3.430
  377    HA   LEU  41            HA      LEU  41  -9.980   1.786   1.786
  378   1HB   LEU  41           HB2      LEU  41  -9.366   2.632   2.632
  379   2HB   LEU  41           HB1      LEU  41 -11.072   2.452   2.452
  380    HG   LEU  41            HG      LEU  41  -9.109   0.356   0.356
  381   1HD1  LEU  41          HD12      LEU  41  -9.344   1.109   1.109
  382   2HD1  LEU  41          HD11      LEU  41 -10.575  -0.152  -0.152
  383   3HD1  LEU  41          HD13      LEU  41  -8.896  -0.506  -0.506
  384   1HD2  LEU  41          HD22      LEU  41 -11.507   0.535   0.535
  385   2HD2  LEU  41          HD21      LEU  41 -11.073  -1.007  -1.007
  386   3HD2  LEU  41          HD23      LEU  41 -12.005   0.186   0.186
  387    H    ASN  42            HN      ASN  42 -10.815   2.904   2.904
  388    HA   ASN  42            HA      ASN  42 -11.987   4.616   4.616
  389   1HB   ASN  42           HB2      ASN  42 -13.206   4.059   4.059
  390   2HB   ASN  42           HB1      ASN  42 -13.820   5.454   5.454
  391   1HD2  ASN  42          HD22      ASN  42 -15.915   3.211   3.211
  392   2HD2  ASN  42          HD21      ASN  42 -15.819   4.577   4.577
  393    H    GLY  43            HN      GLY  43  -9.619   5.682   5.682
  394   1HA   GLY  43           HA2      GLY  43  -9.509   8.308   8.308
  395   2HA   GLY  43           HA1      GLY  43 -10.632   8.341   8.341
  396    H    LYS  44            HN      LYS  44  -9.351   6.233   6.233
  397    HA   LYS  44            HA      LYS  44  -7.112   7.756   7.756
  398   1HB   LYS  44           HB2      LYS  44  -8.840   5.532   5.532
  399   2HB   LYS  44           HB1      LYS  44  -7.202   5.710   5.710
  400   1HG   LYS  44           HG2      LYS  44  -7.597   7.781   7.781
  401   2HG   LYS  44           HG1      LYS  44  -8.919   8.138   8.138
  402   1HD   LYS  44           HD2      LYS  44  -9.039   6.058   6.058
  403   2HD   LYS  44           HD1      LYS  44  -9.729   7.676   7.676
  404   1HE   LYS  44           HE2      LYS  44 -10.807   6.839   6.839
  405   2HE   LYS  44           HE1      LYS  44 -10.700   5.309   5.309
  406   1HZ   LYS  44           HZ3      LYS  44 -11.927   7.781   7.781
  407   2HZ   LYS  44           HZ2      LYS  44 -12.800   6.506   6.506
  408   3HZ   LYS  44           HZ1      LYS  44 -11.920   6.247   6.247
  409    H    ASP  45            HN      ASP  45  -5.302   6.236   6.236
  410    HA   ASP  45            HA      ASP  45  -4.763   3.949   3.949
  411   1HB   ASP  45           HB2      ASP  45  -3.650   4.738   4.738
  412   2HB   ASP  45           HB1      ASP  45  -4.574   6.184   6.184
  413    H    GLY  46            HN      GLY  46  -2.185   3.617   3.617
  414   1HA   GLY  46           HA2      GLY  46  -0.149   4.203   4.203
  415   2HA   GLY  46           HA1      GLY  46  -1.201   4.233   4.233
  416    H    PHE  47            HN      PHE  47   0.670   2.641   2.641
  417    HA   PHE  47            HA      PHE  47   0.662   0.003   0.003
  418   1HB   PHE  47           HB2      PHE  47   1.726   1.014   1.014
  419   2HB   PHE  47           HB1      PHE  47   2.069  -0.577  -0.577
  420    HD1  PHE  47           HD2      PHE  47   2.959  -0.576  -0.576
  421    HD2  PHE  47           HD1      PHE  47   3.160   2.783   2.783
  422    HE1  PHE  47           HE2      PHE  47   4.773   0.408   0.408
  423    HE2  PHE  47           HE1      PHE  47   4.974   3.769   3.769
  424    HZ   PHE  47            HZ      PHE  47   5.780   2.581   2.581
  425    H    ILE  48            HN      ILE  48  -0.128  -1.982  -1.982
  426    HA   ILE  48            HA      ILE  48  -1.966  -1.749  -1.749
  427    HB   ILE  48            HB      ILE  48  -3.470  -3.420  -3.420
  428   1HG1  ILE  48          HG12      ILE  48  -1.710  -3.163  -3.163
  429   2HG1  ILE  48          HG11      ILE  48  -3.419  -3.303  -3.303
  430   1HG2  ILE  48          HG21      ILE  48  -3.473  -0.524  -0.524
  431   2HG2  ILE  48          HG23      ILE  48  -4.467  -1.065  -1.065
  432   3HG2  ILE  48          HG22      ILE  48  -4.762  -1.692  -1.692
  433   1HD1  ILE  48          HD12      ILE  48  -1.980  -0.658  -0.658
  434   2HD1  ILE  48          HD11      ILE  48  -2.234  -1.474  -1.474
  435   3HD1  ILE  48          HD13      ILE  48  -3.611  -0.917  -0.917
  436    HA   PRO  49            HA      PRO  49   0.389  -5.413  -5.413
  437   1HB   PRO  49           HB2      PRO  49  -1.028  -6.387  -6.387
  438   2HB   PRO  49           HB1      PRO  49   0.212  -5.112  -5.112
  439   1HG   PRO  49           HG2      PRO  49  -2.787  -4.860  -4.860
  440   2HG   PRO  49           HG1      PRO  49  -1.554  -3.814  -3.814
  441   1HD   PRO  49           HD2      PRO  49  -2.935  -3.217  -3.217
  442   2HD   PRO  49           HD1      PRO  49  -1.442  -2.464  -2.464
  443    H    LYS  50            HN      LYS  50   0.147  -6.873  -6.873
  444    HA   LYS  50            HA      LYS  50  -1.975  -8.010  -8.010
  445   1HB   LYS  50           HB2      LYS  50   0.583  -8.302  -8.302
  446   2HB   LYS  50           HB1      LYS  50   0.357  -9.696  -9.696
  447   1HG   LYS  50           HG2      LYS  50  -1.152 -10.726 -10.726
  448   2HG   LYS  50           HG1      LYS  50  -1.238  -9.259  -9.259
  449   1HD   LYS  50           HD2      LYS  50   0.796  -9.652  -9.652
  450   2HD   LYS  50           HD1      LYS  50   1.501 -10.325 -10.325
  451   1HE   LYS  50           HE2      LYS  50  -0.668 -11.921 -11.921
  452   2HE   LYS  50           HE1      LYS  50   0.862 -11.845 -11.845
  453   1HZ   LYS  50           HZ1      LYS  50   0.538 -12.632 -12.632
  454   2HZ   LYS  50           HZ3      LYS  50   0.813 -13.696 -13.696
  455   3HZ   LYS  50           HZ2      LYS  50   2.006 -12.569 -12.569
  456    H    ASN  51            HN      ASN  51  -1.120  -8.806  -8.806
  457    HA   ASN  51            HA      ASN  51  -2.190 -11.344 -11.344
  458   1HB   ASN  51           HB2      ASN  51  -1.573  -9.211  -9.211
  459   2HB   ASN  51           HB1      ASN  51  -2.604 -10.469 -10.469
  460   1HD2  ASN  51          HD22      ASN  51   1.044 -11.785 -11.785
  461   2HD2  ASN  51          HD21      ASN  51   0.145 -10.703 -10.703
  462    H    TYR  52            HN      TYR  52  -3.667  -8.245  -8.245
  463    HA   TYR  52            HA      TYR  52  -6.357  -9.364  -9.364
  464   1HB   TYR  52           HB2      TYR  52  -5.227  -6.566  -6.566
  465   2HB   TYR  52           HB1      TYR  52  -6.949  -6.873  -6.873
  466    HD1  TYR  52           HD1      TYR  52  -3.873  -8.162  -8.162
  467    HD2  TYR  52           HD2      TYR  52  -7.842  -6.654  -6.654
  468    HE1  TYR  52           HE1      TYR  52  -3.753  -8.260  -8.260
  469    HE2  TYR  52           HE2      TYR  52  -7.737  -6.726  -6.726
  470    HH   TYR  52            HH      TYR  52  -5.023  -6.923  -6.923
  471    H    ILE  53            HN      ILE  53  -4.805  -9.741  -9.741
  472    HA   ILE  53            HA      ILE  53  -6.796  -8.814  -8.814
  473    HB   ILE  53            HB      ILE  53  -4.251  -8.051  -8.051
  474   1HG1  ILE  53          HG12      ILE  53  -5.243  -6.333  -6.333
  475   2HG1  ILE  53          HG11      ILE  53  -3.847  -7.405  -7.405
  476   1HG2  ILE  53          HG23      ILE  53  -6.655  -7.525  -7.525
  477   2HG2  ILE  53          HG22      ILE  53  -6.587  -6.244  -6.244
  478   3HG2  ILE  53          HG21      ILE  53  -5.441  -6.265  -6.265
  479   1HD1  ILE  53          HD13      ILE  53  -3.157  -6.173  -6.173
  480   2HD1  ILE  53          HD12      ILE  53  -4.193  -4.907  -4.907
  481   3HD1  ILE  53          HD11      ILE  53  -2.794  -5.468  -5.468
  482    H    GLU  54            HN      GLU  54  -6.090  -9.354  -9.354
  483    HA   GLU  54            HA      GLU  54  -4.257 -11.512 -11.512
  484   1HB   GLU  54           HB2      GLU  54  -7.078 -11.969 -11.969
  485   2HB   GLU  54           HB1      GLU  54  -6.483 -12.417 -12.417
  486   1HG   GLU  54           HG2      GLU  54  -5.118 -13.321 -13.321
  487   2HG   GLU  54           HG1      GLU  54  -6.417 -14.252 -14.252
  488    H    MET  55            HN      MET  55  -3.845 -11.875 -11.875
  489    HA   MET  55            HA      MET  55  -4.200  -9.303  -9.303
  490   1HB   MET  55           HB2      MET  55  -1.963 -10.704 -10.704
  491   2HB   MET  55           HB1      MET  55  -2.456 -11.438 -11.438
  492   1HG   MET  55           HG2      MET  55  -2.628  -9.199  -9.199
  493   2HG   MET  55           HG1      MET  55  -2.125  -8.466  -8.466
  494   1HE   MET  55           HE1      MET  55  -1.649 -10.899 -10.899
  495   2HE   MET  55           HE3      MET  55  -0.254 -10.191 -10.191
  496   3HE   MET  55           HE2      MET  55  -0.045 -11.596 -11.596
  497    H    LYS  56            HN      LYS  56  -6.004  -9.253  -9.253
  498    HA   LYS  56            HA      LYS  56  -6.653 -11.575 -11.575
  499   1HB   LYS  56           HB2      LYS  56  -8.140  -9.264  -9.264
  500   2HB   LYS  56           HB1      LYS  56  -8.634  -9.926  -9.926
  501   1HG   LYS  56           HG2      LYS  56  -8.429 -12.225 -12.225
  502   2HG   LYS  56           HG1      LYS  56  -8.601 -11.231 -11.231
  503   1HD   LYS  56           HD2      LYS  56 -10.522 -11.211 -11.211
  504   2HD   LYS  56           HD1      LYS  56 -10.796 -12.085 -12.085
  505   1HE   LYS  56           HE2      LYS  56 -11.002 -10.103 -10.103
  506   2HE   LYS  56           HE1      LYS  56 -10.219  -9.126  -9.126
  507   1HZ   LYS  56           HZ1      LYS  56 -12.379 -10.196 -10.196
  508   2HZ   LYS  56           HZ3      LYS  56 -12.980  -9.862  -9.862
  509   3HZ   LYS  56           HZ2      LYS  56 -12.276  -8.624  -8.624
  510    HA   PRO  57            HA      PRO  57  -5.217  -9.762  -9.762
  511   1HB   PRO  57           HB2      PRO  57  -6.760 -11.005 -11.005
  512   2HB   PRO  57           HB1      PRO  57  -5.388 -11.764 -11.764
  513   1HG   PRO  57           HG2      PRO  57  -8.284 -12.150 -12.150
  514   2HG   PRO  57           HG1      PRO  57  -6.951 -13.243 -13.243
  515   1HD   PRO  57           HD2      PRO  57  -8.308 -11.706 -11.706
  516   2HD   PRO  57           HD1      PRO  57  -6.767 -12.559 -12.559
  517    H    HIS  58            HN      HIS  58  -6.501  -9.093  -9.093
  518    HA   HIS  58            HA      HIS  58  -8.846  -7.443  -7.443
  519   1HB   HIS  58           HB2      HIS  58  -6.332  -6.302  -6.302
  520   2HB   HIS  58           HB1      HIS  58  -6.883  -5.958  -5.958
  521    HD1  HIS  58           HD1      HIS  58  -9.055  -4.497  -4.497
  522    HD2  HIS  58           HD2      HIS  58  -7.720  -4.919  -4.919
  523    HE1  HIS  58           HE1      HIS  58 -10.312  -2.777  -2.777
  524    HA   PRO  59            HA      PRO  59  -9.764  -8.940  -8.940
  525   1HB   PRO  59           HB2      PRO  59 -12.253  -7.811  -7.811
  526   2HB   PRO  59           HB1      PRO  59 -11.941  -9.281  -9.281
  527   1HG   PRO  59           HG2      PRO  59 -12.498  -6.515  -6.515
  528   2HG   PRO  59           HG1      PRO  59 -12.781  -8.068  -8.068
  529   1HD   PRO  59           HD2      PRO  59 -10.625  -6.291  -6.291
  530   2HD   PRO  59           HD1      PRO  59 -10.762  -7.967  -7.967
  531    H    GLU  60            HN      GLU  60  -9.581  -8.060  -8.060
  532    HA   GLU  60            HA      GLU  60  -8.465  -5.488  -5.488
  533   1HB   GLU  60           HB2      GLU  60  -9.336  -5.796  -5.796
  534   2HB   GLU  60           HB1      GLU  60  -8.085  -6.864  -6.864
  535   1HG   GLU  60           HG2      GLU  60  -9.404  -8.681  -8.681
  536   2HG   GLU  60           HG1      GLU  60 -10.726  -7.930  -7.930
  537    H    PHE  61            HN      PHE  61 -11.825  -6.376  -6.376
  538    HA   PHE  61            HA      PHE  61 -12.706  -3.685  -3.685
  539   1HB   PHE  61           HB2      PHE  61 -13.103  -4.827  -4.827
  540   2HB   PHE  61           HB1      PHE  61 -14.001  -3.445  -3.445
  541    HD1  PHE  61           HD1      PHE  61 -12.256  -1.738  -1.738
  542    HD2  PHE  61           HD2      PHE  61 -11.354  -4.230  -4.230
  543    HE1  PHE  61           HE1      PHE  61 -10.375  -0.237  -0.237
  544    HE2  PHE  61           HE2      PHE  61  -9.473  -2.730  -2.730
  545    HZ   PHE  61            HZ      PHE  61  -8.984  -0.734  -0.734
  546    H    ILE  62            HN      ILE  62 -15.174  -3.576  -3.576
  547    HA   ILE  62            HA      ILE  62 -16.299  -6.288  -6.288
  548    HB   ILE  62            HB      ILE  62 -17.928  -5.012  -5.012
  549   1HG1  ILE  62          HG12      ILE  62 -16.063  -2.751  -2.751
  550   2HG1  ILE  62          HG11      ILE  62 -16.835  -2.785  -2.785
  551   1HG2  ILE  62          HG21      ILE  62 -15.965  -6.239  -6.239
  552   2HG2  ILE  62          HG23      ILE  62 -14.981  -4.788  -4.788
  553   3HG2  ILE  62          HG22      ILE  62 -16.319  -4.800  -4.800
  554   1HD1  ILE  62          HD13      ILE  62 -19.010  -3.273  -3.273
  555   2HD1  ILE  62          HD12      ILE  62 -18.072  -2.454  -2.454
  556   3HD1  ILE  62          HD11      ILE  62 -18.443  -1.624  -1.624
  557    H    VAL  63            HN      VAL  63 -17.331  -6.799  -6.799
  558    HA   VAL  63            HA      VAL  63 -18.683  -4.914  -4.914
  559    HB   VAL  63            HB      VAL  63 -19.226  -7.889  -7.889
  560   1HG1  VAL  63          HG12      VAL  63 -20.818  -6.481  -6.481
  561   2HG1  VAL  63          HG11      VAL  63 -19.458  -6.016  -6.016
  562   3HG1  VAL  63          HG13      VAL  63 -19.968  -7.703  -7.703
  563   1HG2  VAL  63          HG21      VAL  63 -17.015  -6.328  -6.328
  564   2HG2  VAL  63          HG23      VAL  63 -16.905  -7.803  -7.803
  565   3HG2  VAL  63          HG22      VAL  63 -17.545  -7.865  -7.865
  566    H    THR  64            HN      THR  64 -20.601  -3.910  -3.910
  567    HA   THR  64            HA      THR  64 -22.689  -5.332  -5.332
  568    HB   THR  64            HB      THR  64 -23.124  -2.985  -2.985
  569    HG1  THR  64           HG1      THR  64 -21.470  -1.631  -1.631
  570   1HG2  THR  64          HG21      THR  64 -21.096  -5.061  -5.061
  571   2HG2  THR  64          HG23      THR  64 -21.135  -3.590  -3.590
  572   3HG2  THR  64          HG22      THR  64 -22.572  -4.606  -4.606
  573    H    ASP  65            HN      ASP  65 -22.029  -2.244  -2.244
  574    HA   ASP  65            HA      ASP  65 -24.777  -2.385  -2.385
  575   1HB   ASP  65           HB2      ASP  65 -23.921  -0.296  -0.296
  576   2HB   ASP  65           HB1      ASP  65 -22.861  -0.050  -0.050
  577   1H    SER   1           HT3      SER   1  -9.848 -13.083 -13.083
  578   2H    SER   1           HT2      SER   1 -11.167 -13.429 -13.429
  579   3H    SER   1           HT1      SER   1 -11.046 -11.913 -11.913
  580    HA   SER   1            HA      SER   1 -11.888 -12.614 -12.614
  581   1HB   SER   1           HB2      SER   1 -13.749 -13.399 -13.399
  582   2HB   SER   1           HB1      SER   1 -12.822 -14.439 -14.439
  583    HG   SER   1            HG      SER   1 -13.168 -14.969 -14.969
  584    HA   PRO   2            HA      PRO   2  -9.855 -16.780 -16.780
  585   1HB   PRO   2           HB2      PRO   2  -8.358 -18.097 -18.097
  586   2HB   PRO   2           HB1      PRO   2 -10.088 -18.383 -18.383
  587   1HG   PRO   2           HG2      PRO   2  -8.740 -16.903 -16.903
  588   2HG   PRO   2           HG1      PRO   2 -10.304 -17.735 -17.735
  589   1HD   PRO   2           HD2      PRO   2  -9.910 -14.939 -14.939
  590   2HD   PRO   2           HD1      PRO   2 -11.423 -15.806 -15.806
  591    H    LEU   3            HN      LEU   3  -7.905 -15.046 -15.046
  592    HA   LEU   3            HA      LEU   3  -5.831 -14.665 -14.665
  593   1HB   LEU   3           HB2      LEU   3  -5.355 -16.523 -16.523
  594   2HB   LEU   3           HB1      LEU   3  -4.964 -15.176 -15.176
  595    HG   LEU   3            HG      LEU   3  -3.585 -16.075 -16.075
  596   1HD1  LEU   3          HD12      LEU   3  -2.862 -15.546 -15.546
  597   2HD1  LEU   3          HD11      LEU   3  -1.611 -15.440 -15.440
  598   3HD1  LEU   3          HD13      LEU   3  -2.495 -16.948 -16.948
  599   1HD2  LEU   3          HD23      LEU   3  -3.547 -13.286 -13.286
  600   2HD2  LEU   3          HD22      LEU   3  -3.831 -13.737 -13.737
  601   3HD2  LEU   3          HD21      LEU   3  -2.219 -13.900 -13.900
  602    H    LEU   4            HN      LEU   4  -5.128 -13.495 -13.495
  603    HA   LEU   4            HA      LEU   4  -4.927 -11.315 -11.315
  604   1HB   LEU   4           HB2      LEU   4  -7.584 -11.493 -11.493
  605   2HB   LEU   4           HB1      LEU   4  -6.968  -9.850  -9.850
  606    HG   LEU   4            HG      LEU   4  -6.369 -10.691 -10.691
  607   1HD1  LEU   4          HD13      LEU   4  -7.274 -13.029 -13.029
  608   2HD1  LEU   4          HD12      LEU   4  -8.857 -12.314 -12.314
  609   3HD1  LEU   4          HD11      LEU   4  -7.680 -12.436 -12.436
  610   1HD2  LEU   4          HD22      LEU   4  -8.015  -8.890  -8.890
  611   2HD2  LEU   4          HD21      LEU   4  -8.414  -9.701  -9.701
  612   3HD2  LEU   4          HD23      LEU   4  -9.261 -10.138 -10.138
  613    HA   PRO   5            HA      PRO   5  -3.021  -9.857  -9.857
  614   1HB   PRO   5           HB2      PRO   5  -0.459  -9.653  -9.653
  615   2HB   PRO   5           HB1      PRO   5  -1.126 -11.144 -11.144
  616   1HG   PRO   5           HG2      PRO   5  -0.577 -10.490 -10.490
  617   2HG   PRO   5           HG1      PRO   5  -0.669 -12.075 -12.075
  618   1HD   PRO   5           HD2      PRO   5  -2.699 -10.864 -10.864
  619   2HD   PRO   5           HD1      PRO   5  -2.870 -12.323 -12.323
  620    H    LYS   6            HN      LYS   6  -2.466  -7.684  -7.684
  621    HA   LYS   6            HA      LYS   6  -3.084  -5.705  -5.705
  622   1HB   LYS   6           HB2      LYS   6  -2.028  -5.420  -5.420
  623   2HB   LYS   6           HB1      LYS   6  -2.532  -4.070  -4.070
  624   1HG   LYS   6           HG2      LYS   6  -4.391  -6.385  -6.385
  625   2HG   LYS   6           HG1      LYS   6  -4.263  -5.071  -5.071
  626   1HD   LYS   6           HD2      LYS   6  -5.177  -3.509  -3.509
  627   2HD   LYS   6           HD1      LYS   6  -4.614  -4.358  -4.358
  628   1HE   LYS   6           HE2      LYS   6  -7.058  -4.555  -4.555
  629   2HE   LYS   6           HE1      LYS   6  -6.290  -6.133  -6.133
  630   1HZ   LYS   6           HZ1      LYS   6  -7.126  -4.370  -4.370
  631   2HZ   LYS   6           HZ3      LYS   6  -7.980  -5.731  -5.731
  632   3HZ   LYS   6           HZ2      LYS   6  -6.438  -5.916  -5.916
  633    H    LEU   7            HN      LEU   7  -1.477  -5.850  -5.850
  634    HA   LEU   7            HA      LEU   7   1.288  -6.160  -6.160
  635   1HB   LEU   7           HB2      LEU   7  -0.223  -4.445  -4.445
  636   2HB   LEU   7           HB1      LEU   7   1.476  -4.891  -4.891
  637    HG   LEU   7            HG      LEU   7  -0.559  -7.047  -7.047
  638   1HD1  LEU   7          HD12      LEU   7  -1.276  -5.463  -5.463
  639   2HD1  LEU   7          HD11      LEU   7   0.145  -6.065  -6.065
  640   3HD1  LEU   7          HD13      LEU   7  -1.139  -7.181  -7.181
  641   1HD2  LEU   7          HD21      LEU   7   1.957  -7.399  -7.399
  642   2HD2  LEU   7          HD23      LEU   7   1.074  -8.390  -8.390
  643   3HD2  LEU   7          HD22      LEU   7   1.947  -6.960  -6.960
  644    HA   PRO   8            HA      PRO   8   1.955  -2.241  -2.241
  645   1HB   PRO   8           HB2      PRO   8   4.364  -2.940  -2.940
  646   2HB   PRO   8           HB1      PRO   8   2.794  -3.388  -3.388
  647   1HG   PRO   8           HG2      PRO   8   4.755  -5.102  -5.102
  648   2HG   PRO   8           HG1      PRO   8   3.523  -5.568  -5.568
  649   1HD   PRO   8           HD2      PRO   8   3.329  -5.853  -5.853
  650   2HD   PRO   8           HD1      PRO   8   2.013  -6.060  -6.060
  651    HA   PRO   9            HA      PRO   9   4.784  -0.513  -0.513
  652   1HB   PRO   9           HB2      PRO   9   5.084   1.988   1.988
  653   2HB   PRO   9           HB1      PRO   9   3.638   1.474   1.474
  654   1HG   PRO   9           HG2      PRO   9   3.991   1.873   1.873
  655   2HG   PRO   9           HG1      PRO   9   2.509   1.942   1.942
  656   1HD   PRO   9           HD2      PRO   9   3.353  -0.233  -0.233
  657   2HD   PRO   9           HD1      PRO   9   2.012  -0.245  -0.245
  658    H    LYS  10            HN      LYS  10   5.738  -1.469  -1.469
  659    HA   LYS  10            HA      LYS  10   8.376  -0.121  -0.121
  660   1HB   LYS  10           HB2      LYS  10   6.799  -1.669  -1.669
  661   2HB   LYS  10           HB1      LYS  10   8.558  -1.726  -1.726
  662   1HG   LYS  10           HG2      LYS  10   8.742   0.542   0.542
  663   2HG   LYS  10           HG1      LYS  10   7.245   0.935   0.935
  664   1HD   LYS  10           HD2      LYS  10   5.913   0.397   0.397
  665   2HD   LYS  10           HD1      LYS  10   7.057  -0.793  -0.793
  666   1HE   LYS  10           HE2      LYS  10   8.610   1.162   1.162
  667   2HE   LYS  10           HE1      LYS  10   7.241   2.220   2.220
  668   1HZ   LYS  10           HZ2      LYS  10   5.969   0.924   0.924
  669   2HZ   LYS  10           HZ1      LYS  10   7.403   0.108   0.108
  670   3HZ   LYS  10           HZ3      LYS  10   7.284   1.781   1.781
  671    H    THR  11            HN      THR  11   7.778  -2.005  -2.005
  672    HA   THR  11            HA      THR  11   8.661  -3.910  -3.910
  673    HB   THR  11            HB      THR  11  11.185  -4.229  -4.229
  674    HG1  THR  11           HG1      THR  11  11.597  -2.420  -2.420
  675   1HG2  THR  11          HG21      THR  11  10.155  -2.719  -2.719
  676   2HG2  THR  11          HG23      THR  11  11.875  -2.726  -2.726
  677   3HG2  THR  11          HG22      THR  11  11.043  -4.242  -4.242
  678    H    TYR  12            HN      TYR  12  10.163  -6.029  -6.029
  679    HA   TYR  12            HA      TYR  12   9.802  -7.122  -7.122
  680   1HB   TYR  12           HB2      TYR  12   7.356  -6.950  -6.950
  681   2HB   TYR  12           HB1      TYR  12   7.866  -8.572  -8.572
  682    HD1  TYR  12           HD2      TYR  12   8.573 -10.211 -10.211
  683    HD2  TYR  12           HD1      TYR  12   6.659  -6.471  -6.471
  684    HE1  TYR  12           HE2      TYR  12   8.004 -11.043 -11.043
  685    HE2  TYR  12           HE1      TYR  12   6.089  -7.302  -7.302
  686    HH   TYR  12            HH      TYR  12   5.774  -9.470  -9.470
  687    H    LYS  13            HN      LYS  13  10.483  -9.388  -9.388
  688    HA   LYS  13            HA      LYS  13  11.827 -11.178 -11.178
  689   1HB   LYS  13           HB2      LYS  13  10.776 -10.516 -10.516
  690   2HB   LYS  13           HB1      LYS  13  11.427 -12.061 -12.061
  691   1HG   LYS  13           HG2      LYS  13   9.493 -11.752 -11.752
  692   2HG   LYS  13           HG1      LYS  13   8.764 -10.839 -10.839
  693   1HD   LYS  13           HD2      LYS  13   8.004 -12.942 -12.942
  694   2HD   LYS  13           HD1      LYS  13   9.552 -12.973 -12.973
  695   1HE   LYS  13           HE2      LYS  13   9.411 -13.852 -13.852
  696   2HE   LYS  13           HE1      LYS  13   8.917 -14.962 -14.962
  697   1HZ   LYS  13           HZ2      LYS  13  11.137 -14.287 -14.287
  698   2HZ   LYS  13           HZ1      LYS  13  11.563 -13.761 -13.761
  699   3HZ   LYS  13           HZ3      LYS  13  11.161 -15.387 -15.387
  700    H    ARG  14            HN      ARG  14  13.320 -11.490 -11.490
  701    HA   ARG  14            HA      ARG  14  15.350 -10.817 -10.817
  702   1HB   ARG  14           HB2      ARG  14  13.721  -8.772  -8.772
  703   2HB   ARG  14           HB1      ARG  14  14.782  -7.944  -7.944
  704   1HG   ARG  14           HG2      ARG  14  16.681  -9.090  -9.090
  705   2HG   ARG  14           HG1      ARG  14  15.413  -9.068  -9.068
  706   1HD   ARG  14           HD2      ARG  14  15.664  -6.538  -6.538
  707   2HD   ARG  14           HD1      ARG  14  17.096  -6.960  -6.960
  708    HE   ARG  14            HE      ARG  14  14.610  -6.049  -6.049
  709   1HH1  ARG  14          HH11      ARG  14  13.990  -8.167  -8.167
  710   2HH1  ARG  14          HH12      ARG  14  15.182  -8.339  -8.339
  711   1HH2  ARG  14          HH21      ARG  14  17.521  -6.335  -6.335
  712   2HH2  ARG  14          HH22      ARG  14  17.180  -7.302  -7.302
  713    H    GLU  15            HN      GLU  15  16.977 -11.471 -11.471
  714    HA   GLU  15            HA      GLU  15  17.379 -10.522 -10.522
  715   1HB   GLU  15           HB2      GLU  15  18.271 -12.682 -12.682
  716   2HB   GLU  15           HB1      GLU  15  19.544 -11.677 -11.677
  717   1HG   GLU  15           HG2      GLU  15  19.906 -10.827 -10.827
  718   2HG   GLU  15           HG1      GLU  15  18.973 -12.244 -12.244

  Start of MODEL   22
    1   1H    GLY  -8           HT2      GLY  -8   7.160 -12.155 -12.155
    2   2H    GLY  -8           HT1      GLY  -8   7.145 -13.495 -13.495
    3   3H    GLY  -8           HT3      GLY  -8   6.299 -12.082 -12.082
    4   1HA   GLY  -8           HA1      GLY  -8   8.241 -11.735 -11.735
    5   2HA   GLY  -8           HA2      GLY  -8   9.277 -12.765 -12.765
    6    H    SER  -7            HN      SER  -7   7.155 -10.117 -10.117
    7    HA   SER  -7            HA      SER  -7   9.285  -8.120  -8.120
    8   1HB   SER  -7           HB2      SER  -7   6.451  -8.149  -8.149
    9   2HB   SER  -7           HB1      SER  -7   7.356  -6.641  -6.641
   10    HG   SER  -7            HG      SER  -7   8.817  -7.429  -7.429
   11    H    ARG  -6            HN      ARG  -6   9.541  -6.556  -6.556
   12    HA   ARG  -6            HA      ARG  -6   7.410  -6.327  -6.327
   13   1HB   ARG  -6           HB2      ARG  -6  10.406  -6.218  -6.218
   14   2HB   ARG  -6           HB1      ARG  -6   9.487  -5.284  -5.284
   15   1HG   ARG  -6           HG2      ARG  -6   8.166  -7.445  -7.445
   16   2HG   ARG  -6           HG1      ARG  -6   9.446  -8.270  -8.270
   17   1HD   ARG  -6           HD2      ARG  -6  11.112  -7.599  -7.599
   18   2HD   ARG  -6           HD1      ARG  -6  10.033  -6.424  -6.424
   19    HE   ARG  -6            HE      ARG  -6   8.657  -8.625  -8.625
   20   1HH1  ARG  -6          HH11      ARG  -6  11.639  -9.580  -9.580
   21   2HH1  ARG  -6          HH12      ARG  -6  12.170 -10.173 -10.173
   22   1HH2  ARG  -6          HH21      ARG  -6   9.517  -8.783  -8.783
   23   2HH2  ARG  -6          HH22      ARG  -6  10.968  -9.721  -9.721
   24    H    ARG  -5            HN      ARG  -5   7.175  -4.846  -4.846
   25    HA   ARG  -5            HA      ARG  -5   8.005  -2.090  -2.090
   26   1HB   ARG  -5           HB2      ARG  -5   7.274  -3.364  -3.364
   27   2HB   ARG  -5           HB1      ARG  -5   7.178  -1.613  -1.613
   28   1HG   ARG  -5           HG2      ARG  -5   9.372  -1.854  -1.854
   29   2HG   ARG  -5           HG1      ARG  -5   9.600  -1.893  -1.893
   30   1HD   ARG  -5           HD2      ARG  -5  10.584  -3.907  -3.907
   31   2HD   ARG  -5           HD1      ARG  -5   9.027  -4.559  -4.559
   32    HE   ARG  -5            HE      ARG  -5   9.816  -3.685  -3.685
   33   1HH1  ARG  -5          HH21      ARG  -5  12.538  -2.930  -2.930
   34   2HH1  ARG  -5          HH22      ARG  -5  13.441  -4.392  -4.392
   35   1HH2  ARG  -5          HH11      ARG  -5  10.652  -6.448  -6.448
   36   2HH2  ARG  -5          HH12      ARG  -5  12.374  -6.382  -6.382
   37    H    ALA  -4            HN      ALA  -4   5.816  -3.399  -3.399
   38    HA   ALA  -4            HA      ALA  -4   3.305  -2.457  -2.457
   39   1HB   ALA  -4           HB1      ALA  -4   3.389  -4.426  -4.426
   40   2HB   ALA  -4           HB3      ALA  -4   3.948  -3.396  -3.396
   41   3HB   ALA  -4           HB2      ALA  -4   2.329  -3.175  -3.175
   42    H    SER  -3            HN      SER  -3   1.966  -0.766  -0.766
   43    HA   SER  -3            HA      SER  -3   3.533   1.254   1.254
   44   1HB   SER  -3           HB2      SER  -3   1.442   2.160   2.160
   45   2HB   SER  -3           HB1      SER  -3   2.909   2.980   2.980
   46    HG   SER  -3            HG      SER  -3   4.100   1.530   1.530
   47    H    VAL  -2            HN      VAL  -2   0.163   0.844   0.844
   48    HA   VAL  -2            HA      VAL  -2  -0.744   1.471   1.471
   49    HB   VAL  -2            HB      VAL  -2  -2.950   1.943   1.943
   50   1HG1  VAL  -2          HG11      VAL  -2  -0.474   3.414   3.414
   51   2HG1  VAL  -2          HG13      VAL  -2  -2.108   4.007   4.007
   52   3HG1  VAL  -2          HG12      VAL  -2  -1.524   3.823   3.823
   53   1HG2  VAL  -2          HG22      VAL  -2  -2.052   0.434   0.434
   54   2HG2  VAL  -2          HG21      VAL  -2  -3.278   1.683   1.683
   55   3HG2  VAL  -2          HG23      VAL  -2  -1.592   2.025   2.025
   56    H    GLY  -1            HN      GLY  -1  -2.262   0.094   0.094
   57   1HA   GLY  -1           HA2      GLY  -1  -3.860  -1.904  -1.904
   58   2HA   GLY  -1           HA1      GLY  -1  -2.334  -2.665  -2.665
   59    H    SER   0            HN      SER   0  -3.786  -0.933  -0.933
   60    HA   SER   0            HA      SER   0  -1.985  -2.253  -2.253
   61   1HB   SER   0           HB2      SER   0  -3.786  -1.221  -1.221
   62   2HB   SER   0           HB1      SER   0  -2.619  -0.180  -0.180
   63    HG   SER   0            HG      SER   0  -4.208   0.693   0.693
   64    H    MET   1            HN      MET   1  -2.862  -3.557  -3.557
   65    HA   MET   1            HA      MET   1  -5.084  -5.321  -5.321
   66   1HB   MET   1           HB2      MET   1  -2.509  -5.879  -5.879
   67   2HB   MET   1           HB1      MET   1  -3.911  -6.871  -6.871
   68   1HG   MET   1           HG2      MET   1  -4.127  -7.725  -7.725
   69   2HG   MET   1           HG1      MET   1  -3.257  -6.378  -6.378
   70   1HE   MET   1           HE1      MET   1  -3.120  -9.396  -9.396
   71   2HE   MET   1           HE3      MET   1  -1.878  -8.564  -8.564
   72   3HE   MET   1           HE2      MET   1  -1.451  -9.958  -9.958
   73    H    GLU   2            HN      GLU   2  -5.824  -6.581  -6.581
   74    HA   GLU   2            HA      GLU   2  -6.342  -4.427  -4.427
   75   1HB   GLU   2           HB2      GLU   2  -8.202  -5.583  -5.583
   76   2HB   GLU   2           HB1      GLU   2  -8.511  -6.329  -6.329
   77   1HG   GLU   2           HG2      GLU   2  -9.001  -4.279  -4.279
   78   2HG   GLU   2           HG1      GLU   2  -8.155  -3.353  -3.353
   79    H    ALA   3            HN      ALA   3  -7.308  -5.600  -5.600
   80    HA   ALA   3            HA      ALA   3  -6.394  -8.336  -8.336
   81   1HB   ALA   3           HB1      ALA   3  -5.051  -5.993  -5.993
   82   2HB   ALA   3           HB3      ALA   3  -5.214  -7.466  -7.466
   83   3HB   ALA   3           HB2      ALA   3  -4.367  -7.508  -7.508
   84    H    ILE   4            HN      ILE   4  -8.058  -9.232  -9.232
   85    HA   ILE   4            HA      ILE   4 -10.196  -7.893  -7.893
   86    HB   ILE   4            HB      ILE   4 -10.477 -10.076 -10.076
   87   1HG1  ILE   4          HG12      ILE   4 -10.826 -10.855 -10.855
   88   2HG1  ILE   4          HG11      ILE   4 -11.464  -9.252  -9.252
   89   1HG2  ILE   4          HG22      ILE   4  -8.027 -10.659 -10.659
   90   2HG2  ILE   4          HG21      ILE   4  -9.083 -11.506 -11.506
   91   3HG2  ILE   4          HG23      ILE   4  -9.168 -11.863 -11.863
   92   1HD1  ILE   4          HD13      ILE   4 -12.023 -11.540 -11.540
   93   2HD1  ILE   4          HD12      ILE   4 -12.961 -11.333 -11.333
   94   3HD1  ILE   4          HD11      ILE   4 -12.943 -10.061 -10.061
   95    H    ALA   5            HN      ALA   5 -10.244  -6.897  -6.897
   96    HA   ALA   5            HA      ALA   5  -8.238  -7.300  -7.300
   97   1HB   ALA   5           HB1      ALA   5 -10.879  -5.795  -5.795
   98   2HB   ALA   5           HB3      ALA   5  -9.891  -5.900  -5.900
   99   3HB   ALA   5           HB2      ALA   5  -9.250  -5.115  -5.115
  100    H    LYS   6            HN      LYS   6  -8.311  -9.227  -9.227
  101    HA   LYS   6            HA      LYS   6 -10.640 -10.905 -10.905
  102   1HB   LYS   6           HB2      LYS   6  -8.138 -11.015 -11.015
  103   2HB   LYS   6           HB1      LYS   6  -9.298 -12.322 -12.322
  104   1HG   LYS   6           HG2      LYS   6  -8.682 -12.618 -12.618
  105   2HG   LYS   6           HG1      LYS   6  -7.933 -11.025 -11.025
  106   1HD   LYS   6           HD2      LYS   6  -6.198 -12.729 -12.729
  107   2HD   LYS   6           HD1      LYS   6  -6.178 -11.782 -11.782
  108   1HE   LYS   6           HE2      LYS   6  -7.246 -13.513 -13.513
  109   2HE   LYS   6           HE1      LYS   6  -7.741 -14.361 -14.361
  110   1HZ   LYS   6           HZ1      LYS   6  -4.902 -13.939 -13.939
  111   2HZ   LYS   6           HZ3      LYS   6  -5.775 -15.316 -15.316
  112   3HZ   LYS   6           HZ2      LYS   6  -5.529 -14.985 -14.985
  113    H    TYR   7            HN      TYR   7  -9.368  -8.395  -8.395
  114    HA   TYR   7            HA      TYR   7 -11.763  -8.709  -8.709
  115   1HB   TYR   7           HB2      TYR   7  -9.075  -8.401  -8.401
  116   2HB   TYR   7           HB1      TYR   7 -10.592  -8.931  -8.931
  117    HD1  TYR   7           HD2      TYR   7 -11.553 -11.190 -11.190
  118    HD2  TYR   7           HD1      TYR   7  -7.531  -9.934  -9.934
  119    HE1  TYR   7           HE2      TYR   7 -10.901 -13.548 -13.548
  120    HE2  TYR   7           HE1      TYR   7  -6.867 -12.272 -12.272
  121    HH   TYR   7            HH      TYR   7  -8.018 -14.705 -14.705
  122    H    ASP   8            HN      ASP   8 -11.302  -6.947  -6.947
  123    HA   ASP   8            HA      ASP   8 -11.203  -4.426  -4.426
  124   1HB   ASP   8           HB2      ASP   8 -12.355  -3.487  -3.487
  125   2HB   ASP   8           HB1      ASP   8 -13.087  -5.057  -5.057
  126    H    PHE   9            HN      PHE   9 -10.091  -2.551  -2.551
  127    HA   PHE   9            HA      PHE   9  -8.098  -2.707  -2.707
  128   1HB   PHE   9           HB2      PHE   9  -7.308  -4.133  -4.133
  129   2HB   PHE   9           HB1      PHE   9  -6.503  -2.577  -2.577
  130    HD1  PHE   9           HD2      PHE   9  -7.382  -4.597  -4.597
  131    HD2  PHE   9           HD1      PHE   9  -4.274  -2.810  -2.810
  132    HE1  PHE   9           HE2      PHE   9  -5.696  -5.271  -5.271
  133    HE2  PHE   9           HE1      PHE   9  -2.590  -3.481  -3.481
  134    HZ   PHE   9            HZ      PHE   9  -3.303  -4.713  -4.713
  135    H    LYS  10            HN      LYS  10  -6.312  -0.883  -0.883
  136    HA   LYS  10            HA      LYS  10  -7.576   1.344   1.344
  137   1HB   LYS  10           HB2      LYS  10  -7.280   1.185   1.185
  138   2HB   LYS  10           HB1      LYS  10  -6.659   2.675   2.675
  139   1HG   LYS  10           HG2      LYS  10  -8.741   3.333   3.333
  140   2HG   LYS  10           HG1      LYS  10  -9.343   1.678   1.678
  141   1HD   LYS  10           HD2      LYS  10 -10.434   2.819   2.819
  142   2HD   LYS  10           HD1      LYS  10  -9.352   1.578   1.578
  143   1HE   LYS  10           HE2      LYS  10  -7.582   3.440   3.440
  144   2HE   LYS  10           HE1      LYS  10  -8.919   4.568   4.568
  145   1HZ   LYS  10           HZ2      LYS  10 -10.002   3.190   3.190
  146   2HZ   LYS  10           HZ1      LYS  10  -8.400   2.750   2.750
  147   3HZ   LYS  10           HZ3      LYS  10  -8.854   4.383   4.383
  148    H    ALA  11            HN      ALA  11  -6.111   3.190   3.190
  149    HA   ALA  11            HA      ALA  11  -3.596   2.301   2.301
  150   1HB   ALA  11           HB3      ALA  11  -5.049   4.461   4.461
  151   2HB   ALA  11           HB2      ALA  11  -3.992   5.176   5.176
  152   3HB   ALA  11           HB1      ALA  11  -3.299   4.456   4.456
  153    H    THR  12            HN      THR  12  -1.609   2.222   2.222
  154    HA   THR  12            HA      THR  12  -1.586   3.209   3.209
  155    HB   THR  12            HB      THR  12   0.320   1.433   1.433
  156    HG1  THR  12           HG1      THR  12   0.288  -0.118  -0.118
  157   1HG2  THR  12          HG21      THR  12  -2.636   0.878   0.878
  158   2HG2  THR  12          HG23      THR  12  -1.497  -0.370  -0.370
  159   3HG2  THR  12          HG22      THR  12  -1.674   1.102   1.102
  160    H    ALA  13            HN      ALA  13  -0.935   4.897   4.897
  161    HA   ALA  13            HA      ALA  13   1.518   6.047   6.047
  162   1HB   ALA  13           HB3      ALA  13   1.765   4.411   4.411
  163   2HB   ALA  13           HB2      ALA  13   2.959   5.568   5.568
  164   3HB   ALA  13           HB1      ALA  13   2.616   4.106   4.106
  165    H    ASP  14            HN      ASP  14   2.217   7.758   7.758
  166    HA   ASP  14            HA      ASP  14   0.025   9.318   9.318
  167   1HB   ASP  14           HB2      ASP  14   2.376   9.931   9.931
  168   2HB   ASP  14           HB1      ASP  14   2.862   9.727   9.727
  169    H    ASP  15            HN      ASP  15   1.777   6.836   6.836
  170    HA   ASP  15            HA      ASP  15   0.581   7.631   7.631
  171   1HB   ASP  15           HB2      ASP  15   3.264   7.620   7.620
  172   2HB   ASP  15           HB1      ASP  15   3.010   5.981   5.981
  173    H    GLU  16            HN      GLU  16  -0.541   5.871   5.871
  174    HA   GLU  16            HA      GLU  16  -0.317   3.232   3.232
  175   1HB   GLU  16           HB2      GLU  16   0.133   3.590   3.590
  176   2HB   GLU  16           HB1      GLU  16  -1.615   3.604   3.604
  177   1HG   GLU  16           HG2      GLU  16  -1.748   1.384   1.384
  178   2HG   GLU  16           HG1      GLU  16  -0.705   1.433   1.433
  179    H    LEU  17            HN      LEU  17  -2.541   1.988   1.988
  180    HA   LEU  17            HA      LEU  17  -4.698   3.882   3.882
  181   1HB   LEU  17           HB2      LEU  17  -3.475   2.145   2.145
  182   2HB   LEU  17           HB1      LEU  17  -4.777   1.126   1.126
  183    HG   LEU  17            HG      LEU  17  -5.192   3.893   3.893
  184   1HD1  LEU  17          HD12      LEU  17  -5.384   1.128   1.128
  185   2HD1  LEU  17          HD11      LEU  17  -6.176   2.543   2.543
  186   3HD1  LEU  17          HD13      LEU  17  -4.422   2.493   2.493
  187   1HD2  LEU  17          HD23      LEU  17  -7.029   1.661   1.661
  188   2HD2  LEU  17          HD22      LEU  17  -7.010   3.337   3.337
  189   3HD2  LEU  17          HD21      LEU  17  -7.572   2.950   2.950
  190    H    SER  18            HN      SER  18  -6.571   3.748   3.748
  191    HA   SER  18            HA      SER  18  -6.966   1.681   1.681
  192   1HB   SER  18           HB2      SER  18  -8.928   3.102   3.102
  193   2HB   SER  18           HB1      SER  18  -7.460   4.020   4.020
  194    HG   SER  18            HG      SER  18  -9.474   4.711   4.711
  195    H    PHE  19            HN      PHE  19  -9.026   0.405   0.405
  196    HA   PHE  19            HA      PHE  19 -10.800   0.408   0.408
  197   1HB   PHE  19           HB2      PHE  19 -10.083  -1.739  -1.739
  198   2HB   PHE  19           HB1      PHE  19  -8.867  -0.476  -0.476
  199    HD1  PHE  19           HD1      PHE  19  -6.775  -0.545  -0.545
  200    HD2  PHE  19           HD2      PHE  19  -9.743  -3.621  -3.621
  201    HE1  PHE  19           HE1      PHE  19  -5.118  -1.984  -1.984
  202    HE2  PHE  19           HE2      PHE  19  -8.085  -5.061  -5.061
  203    HZ   PHE  19            HZ      PHE  19  -5.774  -4.242  -4.242
  204    H    LYS  20            HN      LYS  20 -12.097  -1.760  -1.760
  205    HA   LYS  20            HA      LYS  20 -12.351  -2.752  -2.752
  206   1HB   LYS  20           HB2      LYS  20 -14.568  -2.277  -2.277
  207   2HB   LYS  20           HB1      LYS  20 -14.762  -2.809  -2.809
  208   1HG   LYS  20           HG2      LYS  20 -13.392  -0.232  -0.232
  209   2HG   LYS  20           HG1      LYS  20 -15.126  -0.328  -0.328
  210   1HD   LYS  20           HD2      LYS  20 -14.239  -1.625  -1.625
  211   2HD   LYS  20           HD1      LYS  20 -12.861  -0.559  -0.559
  212   1HE   LYS  20           HE2      LYS  20 -15.753   0.313   0.313
  213   2HE   LYS  20           HE1      LYS  20 -14.490   0.536   0.536
  214   1HZ   LYS  20           HZ1      LYS  20 -13.246   1.748   1.748
  215   2HZ   LYS  20           HZ3      LYS  20 -14.726   1.797   1.797
  216   3HZ   LYS  20           HZ2      LYS  20 -14.577   2.547   2.547
  217    H    ARG  21            HN      ARG  21 -13.955  -4.756  -4.756
  218    HA   ARG  21            HA      ARG  21 -12.548  -6.797  -6.797
  219   1HB   ARG  21           HB2      ARG  21 -13.666  -7.134  -7.134
  220   2HB   ARG  21           HB1      ARG  21 -15.225  -6.895  -6.895
  221   1HG   ARG  21           HG2      ARG  21 -14.994  -8.865  -8.865
  222   2HG   ARG  21           HG1      ARG  21 -13.268  -8.993  -8.993
  223   1HD   ARG  21           HD2      ARG  21 -13.631  -9.700  -9.700
  224   2HD   ARG  21           HD1      ARG  21 -15.233  -8.969  -8.969
  225    HE   ARG  21            HE      ARG  21 -14.709 -11.669 -11.669
  226   1HH1  ARG  21          HH21      ARG  21 -17.153  -9.452  -9.452
  227   2HH1  ARG  21          HH22      ARG  21 -18.133 -10.088 -10.088
  228   1HH2  ARG  21          HH11      ARG  21 -15.688 -12.257 -12.257
  229   2HH2  ARG  21          HH12      ARG  21 -17.304 -11.673 -11.673
  230    H    GLY  22            HN      GLY  22 -12.813  -7.071  -7.071
  231   1HA   GLY  22           HA2      GLY  22 -14.218  -7.768  -7.768
  232   2HA   GLY  22           HA1      GLY  22 -15.561  -6.889  -6.889
  233    H    ASP  23            HN      ASP  23 -12.797  -4.979  -4.979
  234    HA   ASP  23            HA      ASP  23 -13.646  -3.354  -3.354
  235   1HB   ASP  23           HB2      ASP  23 -12.821  -2.775  -2.775
  236   2HB   ASP  23           HB1      ASP  23 -11.482  -2.271  -2.271
  237    H    ILE  24            HN      ILE  24 -12.709  -4.337  -4.337
  238    HA   ILE  24            HA      ILE  24 -10.007  -5.340  -5.340
  239    HB   ILE  24            HB      ILE  24 -11.483  -4.600  -4.600
  240   1HG1  ILE  24          HG12      ILE  24 -11.944  -6.971  -6.971
  241   2HG1  ILE  24          HG11      ILE  24 -13.145  -5.818  -5.818
  242   1HG2  ILE  24          HG23      ILE  24  -9.011  -5.580  -5.580
  243   2HG2  ILE  24          HG22      ILE  24  -9.889  -7.101  -7.101
  244   3HG2  ILE  24          HG21      ILE  24  -9.994  -6.069  -6.069
  245   1HD1  ILE  24          HD11      ILE  24 -12.829  -6.649  -6.649
  246   2HD1  ILE  24          HD13      ILE  24 -11.665  -7.825  -7.825
  247   3HD1  ILE  24          HD12      ILE  24 -13.354  -7.930  -7.930
  248    H    LEU  25            HN      LEU  25  -8.154  -4.345  -4.345
  249    HA   LEU  25            HA      LEU  25  -8.279  -1.399  -1.399
  250   1HB   LEU  25           HB2      LEU  25  -5.818  -3.130  -3.130
  251   2HB   LEU  25           HB1      LEU  25  -5.950  -1.394  -1.394
  252    HG   LEU  25            HG      LEU  25  -6.022  -2.310  -2.310
  253   1HD1  LEU  25          HD13      LEU  25  -7.853  -0.706  -0.706
  254   2HD1  LEU  25          HD12      LEU  25  -8.931  -2.045  -2.045
  255   3HD1  LEU  25          HD11      LEU  25  -8.275  -1.882  -1.882
  256   1HD2  LEU  25          HD21      LEU  25  -6.687  -4.665  -4.665
  257   2HD2  LEU  25          HD23      LEU  25  -6.825  -4.372  -4.372
  258   3HD2  LEU  25          HD22      LEU  25  -8.249  -4.228  -4.228
  259    H    LYS  26            HN      LYS  26  -6.919  -0.286  -0.286
  260    HA   LYS  26            HA      LYS  26  -6.709  -1.913  -1.913
  261   1HB   LYS  26           HB2      LYS  26  -8.103   0.252   0.252
  262   2HB   LYS  26           HB1      LYS  26  -6.561   1.103   1.103
  263   1HG   LYS  26           HG2      LYS  26  -6.712   1.099   1.099
  264   2HG   LYS  26           HG1      LYS  26  -6.044  -0.524  -0.524
  265   1HD   LYS  26           HD2      LYS  26  -8.348  -1.447  -1.447
  266   2HD   LYS  26           HD1      LYS  26  -8.987   0.179   0.179
  267   1HE   LYS  26           HE2      LYS  26  -8.924  -0.754  -0.754
  268   2HE   LYS  26           HE1      LYS  26  -7.482   0.260   0.260
  269   1HZ   LYS  26           HZ1      LYS  26  -6.214  -1.731  -1.731
  270   2HZ   LYS  26           HZ3      LYS  26  -7.605  -2.676  -2.676
  271   3HZ   LYS  26           HZ2      LYS  26  -6.916  -1.873  -1.873
  272    H    VAL  27            HN      VAL  27  -4.632  -2.843  -2.843
  273    HA   VAL  27            HA      VAL  27  -2.369  -1.537  -1.537
  274    HB   VAL  27            HB      VAL  27  -2.320  -3.645  -3.645
  275   1HG1  VAL  27          HG12      VAL  27  -0.234  -2.238  -2.238
  276   2HG1  VAL  27          HG11      VAL  27  -0.341  -3.572  -3.572
  277   3HG1  VAL  27          HG13      VAL  27  -0.100  -3.906  -3.906
  278   1HG2  VAL  27          HG23      VAL  27  -3.129  -3.723  -3.723
  279   2HG2  VAL  27          HG22      VAL  27  -3.507  -4.846  -4.846
  280   3HG2  VAL  27          HG21      VAL  27  -1.957  -4.959  -4.959
  281    H    LEU  28            HN      LEU  28  -1.638   0.379   0.379
  282    HA   LEU  28            HA      LEU  28  -1.620   1.051   1.051
  283   1HB   LEU  28           HB2      LEU  28  -0.358   2.851   2.851
  284   2HB   LEU  28           HB1      LEU  28  -1.254   3.278   3.278
  285    HG   LEU  28            HG      LEU  28  -3.014   1.910   1.910
  286   1HD1  LEU  28          HD13      LEU  28  -1.396   4.203   4.203
  287   2HD1  LEU  28          HD12      LEU  28  -2.972   3.757   3.757
  288   3HD1  LEU  28          HD11      LEU  28  -1.638   2.607   2.607
  289   1HD2  LEU  28          HD23      LEU  28  -3.137   3.938   3.938
  290   2HD2  LEU  28          HD22      LEU  28  -4.445   3.491   3.491
  291   3HD2  LEU  28          HD21      LEU  28  -3.354   4.807   4.807
  292    H    ASN  29            HN      ASN  29   0.518   0.181   0.181
  293    HA   ASN  29            HA      ASN  29   2.685  -0.297  -0.297
  294   1HB   ASN  29           HB2      ASN  29   2.720   2.178   2.178
  295   2HB   ASN  29           HB1      ASN  29   3.418   1.422   1.422
  296   1HD2  ASN  29          HD22      ASN  29   5.752   2.000   2.000
  297   2HD2  ASN  29          HD21      ASN  29   4.213   2.697   2.697
  298    H    GLU  30            HN      GLU  30   4.211  -1.792  -1.792
  299    HA   GLU  30            HA      GLU  30   3.551  -3.024  -3.024
  300   1HB   GLU  30           HB2      GLU  30   3.661  -4.260  -4.260
  301   2HB   GLU  30           HB1      GLU  30   5.339  -4.445  -4.445
  302   1HG   GLU  30           HG2      GLU  30   4.612  -5.464  -5.464
  303   2HG   GLU  30           HG1      GLU  30   2.923  -5.233  -5.233
  304    H    GLU  31            HN      GLU  31   4.901  -0.904  -0.904
  305    HA   GLU  31            HA      GLU  31   7.806  -1.512  -1.512
  306   1HB   GLU  31           HB2      GLU  31   8.057   0.862   0.862
  307   2HB   GLU  31           HB1      GLU  31   7.284   0.693   0.693
  308   1HG   GLU  31           HG2      GLU  31   5.257   1.391   1.391
  309   2HG   GLU  31           HG1      GLU  31   5.482   0.643   0.643
  310    H    CYS  32            HN      CYS  32   8.812  -0.415  -0.415
  311    HA   CYS  32            HA      CYS  32   9.088  -0.624  -0.624
  312   1HB   CYS  32           HB2      CYS  32   6.475   0.208   0.208
  313   2HB   CYS  32           HB1      CYS  32   6.273  -1.289  -1.289
  314    HG   CYS  32            HG      CYS  32   8.435   0.282   0.282
  315    H    ASP  33            HN      ASP  33   7.981  -2.280  -2.280
  316    HA   ASP  33            HA      ASP  33   9.214  -4.687  -4.687
  317   1HB   ASP  33           HB2      ASP  33   7.682  -3.621  -3.621
  318   2HB   ASP  33           HB1      ASP  33   6.514  -4.752  -4.752
  319    H    GLN  34            HN      GLN  34   8.420  -6.901  -6.901
  320    HA   GLN  34            HA      GLN  34   6.839  -7.005  -7.005
  321   1HB   GLN  34           HB2      GLN  34   7.530  -9.402  -9.402
  322   2HB   GLN  34           HB1      GLN  34   8.887  -8.274  -8.274
  323   1HG   GLN  34           HG2      GLN  34   9.463  -8.802  -8.802
  324   2HG   GLN  34           HG1      GLN  34   7.813  -9.211  -9.211
  325   1HE2  GLN  34          HE22      GLN  34   9.074 -12.561 -12.561
  326   2HE2  GLN  34          HE21      GLN  34   8.714 -11.276 -11.276
  327    H    ASN  35            HN      ASN  35   5.738  -6.609  -6.609
  328    HA   ASN  35            HA      ASN  35   3.776  -8.819  -8.819
  329   1HB   ASN  35           HB2      ASN  35   4.847  -7.271  -7.271
  330   2HB   ASN  35           HB1      ASN  35   3.434  -8.328  -8.328
  331   1HD2  ASN  35          HD22      ASN  35   7.135 -10.037 -10.037
  332   2HD2  ASN  35          HD21      ASN  35   6.890  -8.424  -8.424
  333    H    TRP  36            HN      TRP  36   4.241  -5.437  -5.437
  334    HA   TRP  36            HA      TRP  36   1.305  -5.020  -5.020
  335   1HB   TRP  36           HB2      TRP  36   3.383  -2.903  -2.903
  336   2HB   TRP  36           HB1      TRP  36   1.636  -2.765  -2.765
  337    HD1  TRP  36           HD1      TRP  36   4.257  -5.380  -5.380
  338    HE1  TRP  36           HE1      TRP  36   3.879  -5.690  -5.690
  339    HE3  TRP  36           HE3      TRP  36   0.326  -2.133  -2.133
  340    HZ2  TRP  36           HZ2      TRP  36   2.223  -4.710  -4.710
  341    HZ3  TRP  36           HZ3      TRP  36  -0.569  -1.833  -1.833
  342    HH2  TRP  36           HH2      TRP  36   0.357  -3.119  -3.119
  343    H    TYR  37            HN      TYR  37   0.440  -3.756  -3.756
  344    HA   TYR  37            HA      TYR  37   2.379  -3.112  -3.112
  345   1HB   TYR  37           HB2      TYR  37  -0.536  -3.674  -3.674
  346   2HB   TYR  37           HB1      TYR  37   0.809  -3.774  -3.774
  347    HD1  TYR  37           HD2      TYR  37   2.761  -5.490  -5.490
  348    HD2  TYR  37           HD1      TYR  37  -1.515  -5.685  -5.685
  349    HE1  TYR  37           HE2      TYR  37   2.899  -7.929  -7.929
  350    HE2  TYR  37           HE1      TYR  37  -1.402  -8.111  -8.111
  351    HH   TYR  37            HH      TYR  37   1.610  -9.712  -9.712
  352    H    LYS  38            HN      LYS  38   2.039  -1.172  -1.172
  353    HA   LYS  38            HA      LYS  38   0.486   0.895   0.895
  354   1HB   LYS  38           HB2      LYS  38   2.622   1.401   1.401
  355   2HB   LYS  38           HB1      LYS  38   1.805   0.986   0.986
  356   1HG   LYS  38           HG2      LYS  38   0.007   2.729   2.729
  357   2HG   LYS  38           HG1      LYS  38   1.505   3.381   3.381
  358   1HD   LYS  38           HD2      LYS  38   2.035   2.736   2.736
  359   2HD   LYS  38           HD1      LYS  38   0.491   3.587   3.587
  360   1HE   LYS  38           HE2      LYS  38   1.711   5.243   5.243
  361   2HE   LYS  38           HE1      LYS  38   3.182   4.543   4.543
  362   1HZ   LYS  38           HZ2      LYS  38   2.261   5.045   5.045
  363   2HZ   LYS  38           HZ1      LYS  38   0.992   5.888   5.888
  364   3HZ   LYS  38           HZ3      LYS  38   2.590   6.427   6.427
  365    H    ALA  39            HN      ALA  39  -1.611   1.522   1.522
  366    HA   ALA  39            HA      ALA  39  -2.779   0.757   0.757
  367   1HB   ALA  39           HB3      ALA  39  -2.822  -1.362  -1.362
  368   2HB   ALA  39           HB2      ALA  39  -3.774  -0.558  -0.558
  369   3HB   ALA  39           HB1      ALA  39  -4.440  -0.760  -0.760
  370    H    GLU  40            HN      GLU  40  -5.343   0.932   0.932
  371    HA   GLU  40            HA      GLU  40  -5.828   3.303   3.303
  372   1HB   GLU  40           HB2      GLU  40  -5.588   4.784   4.784
  373   2HB   GLU  40           HB1      GLU  40  -4.884   3.490   3.490
  374   1HG   GLU  40           HG2      GLU  40  -7.080   3.021   3.021
  375   2HG   GLU  40           HG1      GLU  40  -7.854   4.191   4.191
  376    H    LEU  41            HN      LEU  41  -7.762   3.533   3.533
  377    HA   LEU  41            HA      LEU  41  -9.898   1.716   1.716
  378   1HB   LEU  41           HB2      LEU  41  -9.300   2.908   2.908
  379   2HB   LEU  41           HB1      LEU  41 -11.002   2.650   2.650
  380    HG   LEU  41            HG      LEU  41  -8.978   0.520   0.520
  381   1HD1  LEU  41          HD11      LEU  41 -10.232   1.412   1.412
  382   2HD1  LEU  41          HD13      LEU  41  -9.996  -0.315  -0.315
  383   3HD1  LEU  41          HD12      LEU  41  -8.611   0.779   0.779
  384   1HD2  LEU  41          HD21      LEU  41 -11.295   0.480   0.480
  385   2HD2  LEU  41          HD23      LEU  41 -10.943  -0.889  -0.889
  386   3HD2  LEU  41          HD22      LEU  41 -11.926   0.451   0.451
  387    H    ASN  42            HN      ASN  42 -10.703   2.683   2.683
  388    HA   ASN  42            HA      ASN  42 -11.881   4.284   4.284
  389   1HB   ASN  42           HB2      ASN  42 -13.171   3.870   3.870
  390   2HB   ASN  42           HB1      ASN  42 -13.803   5.171   5.171
  391   1HD2  ASN  42          HD22      ASN  42 -14.731   2.829   2.829
  392   2HD2  ASN  42          HD21      ASN  42 -13.980   4.342   4.342
  393    H    GLY  43            HN      GLY  43  -9.625   5.577   5.577
  394   1HA   GLY  43           HA2      GLY  43  -9.628   8.165   8.165
  395   2HA   GLY  43           HA1      GLY  43 -10.760   8.225   8.225
  396    H    LYS  44            HN      LYS  44  -9.425   6.299   6.299
  397    HA   LYS  44            HA      LYS  44  -7.246   7.963   7.963
  398   1HB   LYS  44           HB2      LYS  44  -8.868   5.729   5.729
  399   2HB   LYS  44           HB1      LYS  44  -7.237   6.003   6.003
  400   1HG   LYS  44           HG2      LYS  44  -7.740   8.042   8.042
  401   2HG   LYS  44           HG1      LYS  44  -8.975   8.389   8.389
  402   1HD   LYS  44           HD2      LYS  44  -9.299   6.297   6.297
  403   2HD   LYS  44           HD1      LYS  44  -9.903   7.949   7.949
  404   1HE   LYS  44           HE2      LYS  44 -11.634   7.563   7.563
  405   2HE   LYS  44           HE1      LYS  44 -10.645   6.594   6.594
  406   1HZ   LYS  44           HZ2      LYS  44 -10.734   4.834   4.834
  407   2HZ   LYS  44           HZ1      LYS  44 -11.982   5.745   5.745
  408   3HZ   LYS  44           HZ3      LYS  44 -12.175   5.114   5.114
  409    H    ASP  45            HN      ASP  45  -5.391   6.564   6.564
  410    HA   ASP  45            HA      ASP  45  -4.752   4.281   4.281
  411   1HB   ASP  45           HB2      ASP  45  -3.477   5.139   5.139
  412   2HB   ASP  45           HB1      ASP  45  -4.512   6.525   6.525
  413    H    GLY  46            HN      GLY  46  -2.198   3.922   3.922
  414   1HA   GLY  46           HA2      GLY  46  -0.285   4.499   4.499
  415   2HA   GLY  46           HA1      GLY  46  -1.469   4.405   4.405
  416    H    PHE  47            HN      PHE  47   0.694   2.803   2.803
  417    HA   PHE  47            HA      PHE  47   0.637   0.240   0.240
  418   1HB   PHE  47           HB2      PHE  47   1.542   0.912   0.912
  419   2HB   PHE  47           HB1      PHE  47   2.037  -0.485  -0.485
  420    HD1  PHE  47           HD1      PHE  47   3.110   0.028   0.028
  421    HD2  PHE  47           HD2      PHE  47   2.806   2.882   2.882
  422    HE1  PHE  47           HE1      PHE  47   4.920   1.376   1.376
  423    HE2  PHE  47           HE2      PHE  47   4.617   4.227   4.227
  424    HZ   PHE  47            HZ      PHE  47   5.673   3.473   3.473
  425    H    ILE  48            HN      ILE  48  -0.099  -1.847  -1.847
  426    HA   ILE  48            HA      ILE  48  -2.177  -1.621  -1.621
  427    HB   ILE  48            HB      ILE  48  -3.620  -3.211  -3.211
  428   1HG1  ILE  48          HG12      ILE  48  -2.343  -1.781  -1.781
  429   2HG1  ILE  48          HG11      ILE  48  -1.571  -3.244  -3.244
  430   1HG2  ILE  48          HG23      ILE  48  -3.662  -0.495  -0.495
  431   2HG2  ILE  48          HG22      ILE  48  -3.687  -0.575  -0.575
  432   3HG2  ILE  48          HG21      ILE  48  -4.931  -1.401  -1.401
  433   1HD1  ILE  48          HD12      ILE  48  -4.474  -3.529  -3.529
  434   2HD1  ILE  48          HD11      ILE  48  -3.654  -3.168  -3.168
  435   3HD1  ILE  48          HD13      ILE  48  -3.177  -4.576  -4.576
  436    HA   PRO  49            HA      PRO  49   0.204  -5.248  -5.248
  437   1HB   PRO  49           HB2      PRO  49  -1.369  -6.165  -6.165
  438   2HB   PRO  49           HB1      PRO  49  -0.144  -4.898  -4.898
  439   1HG   PRO  49           HG2      PRO  49  -3.135  -4.620  -4.620
  440   2HG   PRO  49           HG1      PRO  49  -1.975  -3.611  -3.611
  441   1HD   PRO  49           HD2      PRO  49  -3.071  -2.893  -2.893
  442   2HD   PRO  49           HD1      PRO  49  -1.566  -2.267  -2.267
  443    H    LYS  50            HN      LYS  50   0.028  -6.765  -6.765
  444    HA   LYS  50            HA      LYS  50  -2.265  -7.793  -7.793
  445   1HB   LYS  50           HB2      LYS  50  -0.008  -8.020  -8.020
  446   2HB   LYS  50           HB1      LYS  50   0.422  -9.058  -9.058
  447   1HG   LYS  50           HG2      LYS  50  -1.737 -10.395 -10.395
  448   2HG   LYS  50           HG1      LYS  50  -1.038  -9.695  -9.695
  449   1HD   LYS  50           HD2      LYS  50   0.452 -11.403 -11.403
  450   2HD   LYS  50           HD1      LYS  50   1.198 -10.574 -10.574
  451   1HE   LYS  50           HE2      LYS  50   0.743 -12.502 -12.502
  452   2HE   LYS  50           HE1      LYS  50  -0.911 -11.892 -11.892
  453   1HZ   LYS  50           HZ2      LYS  50   0.027 -13.426 -13.426
  454   2HZ   LYS  50           HZ1      LYS  50  -0.498 -14.229 -14.229
  455   3HZ   LYS  50           HZ3      LYS  50  -1.559 -13.204 -13.204
  456    H    ASN  51            HN      ASN  51  -1.125  -8.602  -8.602
  457    HA   ASN  51            HA      ASN  51  -2.084 -11.176 -11.176
  458   1HB   ASN  51           HB2      ASN  51  -1.467  -8.984  -8.984
  459   2HB   ASN  51           HB1      ASN  51  -2.409 -10.276 -10.276
  460   1HD2  ASN  51          HD22      ASN  51   1.237 -11.416 -11.416
  461   2HD2  ASN  51          HD21      ASN  51   0.254 -10.363 -10.363
  462    H    TYR  52            HN      TYR  52  -3.702  -8.135  -8.135
  463    HA   TYR  52            HA      TYR  52  -6.316  -9.419  -9.419
  464   1HB   TYR  52           HB2      TYR  52  -5.347  -6.555  -6.555
  465   2HB   TYR  52           HB1      TYR  52  -7.054  -6.944  -6.944
  466    HD1  TYR  52           HD2      TYR  52  -3.976  -8.247  -8.247
  467    HD2  TYR  52           HD1      TYR  52  -7.924  -6.675  -6.675
  468    HE1  TYR  52           HE2      TYR  52  -3.842  -8.425  -8.425
  469    HE2  TYR  52           HE1      TYR  52  -7.795  -6.824  -6.824
  470    HH   TYR  52            HH      TYR  52  -6.343  -7.112  -7.112
  471    H    ILE  53            HN      ILE  53  -4.910  -9.813  -9.813
  472    HA   ILE  53            HA      ILE  53  -6.907  -8.930  -8.930
  473    HB   ILE  53            HB      ILE  53  -4.337  -8.251  -8.251
  474   1HG1  ILE  53          HG12      ILE  53  -5.415  -6.443  -6.443
  475   2HG1  ILE  53          HG11      ILE  53  -3.990  -7.462  -7.462
  476   1HG2  ILE  53          HG22      ILE  53  -6.664  -7.774  -7.774
  477   2HG2  ILE  53          HG21      ILE  53  -6.735  -6.472  -6.472
  478   3HG2  ILE  53          HG23      ILE  53  -5.490  -6.472  -6.472
  479   1HD1  ILE  53          HD13      ILE  53  -3.436  -6.212  -6.212
  480   2HD1  ILE  53          HD12      ILE  53  -4.355  -4.961  -4.961
  481   3HD1  ILE  53          HD11      ILE  53  -2.901  -5.624  -5.624
  482    H    GLU  54            HN      GLU  54  -6.206  -9.597  -9.597
  483    HA   GLU  54            HA      GLU  54  -4.412 -11.797 -11.797
  484   1HB   GLU  54           HB2      GLU  54  -7.240 -12.191 -12.191
  485   2HB   GLU  54           HB1      GLU  54  -6.643 -12.697 -12.697
  486   1HG   GLU  54           HG2      GLU  54  -5.108 -14.243 -14.243
  487   2HG   GLU  54           HG1      GLU  54  -5.324 -13.559 -13.559
  488    H    MET  55            HN      MET  55  -3.944 -12.260 -12.260
  489    HA   MET  55            HA      MET  55  -4.063  -9.766  -9.766
  490   1HB   MET  55           HB2      MET  55  -2.049 -11.460 -11.460
  491   2HB   MET  55           HB1      MET  55  -2.716 -12.197 -12.197
  492   1HG   MET  55           HG2      MET  55  -2.704  -9.848  -9.848
  493   2HG   MET  55           HG1      MET  55  -1.702  -9.373  -9.373
  494   1HE   MET  55           HE1      MET  55  -2.019 -10.172 -10.172
  495   2HE   MET  55           HE3      MET  55  -0.448 -10.683 -10.683
  496   3HE   MET  55           HE2      MET  55  -1.630 -11.885 -11.885
  497    H    LYS  56            HN      LYS  56  -5.928  -9.494  -9.494
  498    HA   LYS  56            HA      LYS  56  -6.872 -11.733 -11.733
  499   1HB   LYS  56           HB2      LYS  56  -8.155  -9.423  -9.423
  500   2HB   LYS  56           HB1      LYS  56  -8.806  -9.982  -9.982
  501   1HG   LYS  56           HG2      LYS  56  -8.574 -12.353 -12.353
  502   2HG   LYS  56           HG1      LYS  56  -8.621 -11.411 -11.411
  503   1HD   LYS  56           HD2      LYS  56 -10.708 -11.321 -11.321
  504   2HD   LYS  56           HD1      LYS  56 -10.892 -12.162 -12.162
  505   1HE   LYS  56           HE2      LYS  56 -10.164  -9.623  -9.623
  506   2HE   LYS  56           HE1      LYS  56 -11.163  -9.301  -9.301
  507   1HZ   LYS  56           HZ3      LYS  56 -12.148 -11.290 -11.290
  508   2HZ   LYS  56           HZ2      LYS  56 -12.192  -9.667  -9.667
  509   3HZ   LYS  56           HZ1      LYS  56 -13.002 -10.148 -10.148
  510    HA   PRO  57            HA      PRO  57  -5.673  -9.787  -9.787
  511   1HB   PRO  57           HB2      PRO  57  -7.422 -10.860 -10.860
  512   2HB   PRO  57           HB1      PRO  57  -6.021 -11.719 -11.719
  513   1HG   PRO  57           HG2      PRO  57  -8.883 -12.016 -12.016
  514   2HG   PRO  57           HG1      PRO  57  -7.578 -13.177 -13.177
  515   1HD   PRO  57           HD2      PRO  57  -8.698 -11.690 -11.690
  516   2HD   PRO  57           HD1      PRO  57  -7.184 -12.620 -12.620
  517    H    HIS  58            HN      HIS  58  -9.137 -10.055 -10.055
  518    HA   HIS  58            HA      HIS  58  -9.817  -7.329  -7.329
  519   1HB   HIS  58           HB2      HIS  58  -8.463  -7.854  -7.854
  520   2HB   HIS  58           HB1      HIS  58 -10.085  -7.227  -7.227
  521    HD1  HIS  58           HD1      HIS  58 -10.658  -4.884  -4.884
  522    HD2  HIS  58           HD2      HIS  58  -6.631  -5.960  -5.960
  523    HE1  HIS  58           HE1      HIS  58  -9.365  -2.777  -2.777
  524    HA   PRO  59            HA      PRO  59 -13.531  -9.839  -9.839
  525   1HB   PRO  59           HB2      PRO  59 -15.276  -8.164  -8.164
  526   2HB   PRO  59           HB1      PRO  59 -14.227  -9.325  -9.325
  527   1HG   PRO  59           HG2      PRO  59 -13.959  -6.357  -6.357
  528   2HG   PRO  59           HG1      PRO  59 -13.364  -7.457  -7.457
  529   1HD   PRO  59           HD2      PRO  59 -11.808  -6.316  -6.316
  530   2HD   PRO  59           HD1      PRO  59 -11.318  -7.656  -7.656
  531    H    GLU  60            HN      GLU  60 -16.029  -8.733  -8.733
  532    HA   GLU  60            HA      GLU  60 -15.824  -7.790  -7.790
  533   1HB   GLU  60           HB2      GLU  60 -17.786  -9.037  -9.037
  534   2HB   GLU  60           HB1      GLU  60 -18.253  -7.487  -7.487
  535   1HG   GLU  60           HG2      GLU  60 -18.072  -6.576  -6.576
  536   2HG   GLU  60           HG1      GLU  60 -18.131  -8.272  -8.272
  537    H    PHE  61            HN      PHE  61 -16.161  -5.699  -5.699
  538    HA   PHE  61            HA      PHE  61 -15.418  -3.505  -3.505
  539   1HB   PHE  61           HB2      PHE  61 -15.593  -2.124  -2.124
  540   2HB   PHE  61           HB1      PHE  61 -14.501  -3.499  -3.499
  541    HD1  PHE  61           HD1      PHE  61 -18.031  -2.440  -2.440
  542    HD2  PHE  61           HD2      PHE  61 -14.832  -5.109  -5.109
  543    HE1  PHE  61           HE1      PHE  61 -19.361  -3.288  -3.288
  544    HE2  PHE  61           HE2      PHE  61 -16.163  -5.959  -5.959
  545    HZ   PHE  61            HZ      PHE  61 -18.428  -5.048  -5.048
  546    H    ILE  62            HN      ILE  62 -16.739  -1.405  -1.405
  547    HA   ILE  62            HA      ILE  62 -19.392  -1.876  -1.876
  548    HB   ILE  62            HB      ILE  62 -18.274   0.712   0.712
  549   1HG1  ILE  62          HG12      ILE  62 -18.078   0.847   0.847
  550   2HG1  ILE  62          HG11      ILE  62 -17.634  -0.830  -0.830
  551   1HG2  ILE  62          HG22      ILE  62 -20.825   0.216   0.216
  552   2HG2  ILE  62          HG21      ILE  62 -20.164   0.589   0.589
  553   3HG2  ILE  62          HG23      ILE  62 -20.050   1.774   1.774
  554   1HD1  ILE  62          HD13      ILE  62 -16.249   0.508   0.508
  555   2HD1  ILE  62          HD12      ILE  62 -16.174   1.650   1.650
  556   3HD1  ILE  62          HD11      ILE  62 -15.565   0.008   0.008
  557    H    VAL  63            HN      VAL  63 -21.140  -2.433  -2.433
  558    HA   VAL  63            HA      VAL  63 -21.299  -1.429  -1.429
  559    HB   VAL  63            HB      VAL  63 -20.833  -3.859  -3.859
  560   1HG1  VAL  63          HG12      VAL  63 -22.394  -3.884  -3.884
  561   2HG1  VAL  63          HG11      VAL  63 -23.479  -4.593  -4.593
  562   3HG1  VAL  63          HG13      VAL  63 -21.900  -5.319  -5.319
  563   1HG2  VAL  63          HG21      VAL  63 -23.325  -2.694  -2.694
  564   2HG2  VAL  63          HG23      VAL  63 -22.044  -3.592  -3.592
  565   3HG2  VAL  63          HG22      VAL  63 -23.298  -4.455  -4.455
  566    H    THR  64            HN      THR  64 -22.445   0.368   0.368
  567    HA   THR  64            HA      THR  64 -25.108  -0.267  -0.267
  568    HB   THR  64            HB      THR  64 -25.245   2.343   2.343
  569    HG1  THR  64           HG1      THR  64 -23.592   3.241   3.241
  570   1HG2  THR  64          HG21      THR  64 -23.258   0.786   0.786
  571   2HG2  THR  64          HG23      THR  64 -23.759   2.438   2.438
  572   3HG2  THR  64          HG22      THR  64 -24.944   1.132   1.132
  573    H    ASP  65            HN      ASP  65 -23.785   1.373   1.373
  574    HA   ASP  65            HA      ASP  65 -26.168   0.589   0.589
  575   1HB   ASP  65           HB2      ASP  65 -26.409   2.961   2.961
  576   2HB   ASP  65           HB1      ASP  65 -25.548   3.496   3.496
  577   1H    SER   1           HT3      SER   1  -5.884 -18.760 -18.760
  578   2H    SER   1           HT2      SER   1  -4.726 -19.381 -19.381
  579   3H    SER   1           HT1      SER   1  -4.673 -17.745 -17.745
  580    HA   SER   1            HA      SER   1  -5.579 -17.800 -17.800
  581   1HB   SER   1           HB2      SER   1  -7.528 -19.200 -19.200
  582   2HB   SER   1           HB1      SER   1  -6.198 -20.204 -20.204
  583    HG   SER   1            HG      SER   1  -8.411 -20.509 -20.509
  584    HA   PRO   2            HA      PRO   2  -8.212 -15.002 -15.002
  585   1HB   PRO   2           HB2      PRO   2  -7.178 -12.659 -12.659
  586   2HB   PRO   2           HB1      PRO   2  -6.497 -13.512 -13.512
  587   1HG   PRO   2           HG2      PRO   2  -5.440 -13.341 -13.341
  588   2HG   PRO   2           HG1      PRO   2  -4.568 -13.640 -13.640
  589   1HD   PRO   2           HD2      PRO   2  -5.313 -15.604 -15.604
  590   2HD   PRO   2           HD1      PRO   2  -4.696 -15.913 -15.913
  591    H    LEU   3            HN      LEU   3  -7.306 -13.442 -13.442
  592    HA   LEU   3            HA      LEU   3  -9.532 -14.292 -14.292
  593   1HB   LEU   3           HB2      LEU   3 -10.477 -12.745 -12.745
  594   2HB   LEU   3           HB1      LEU   3 -10.105 -11.494 -11.494
  595    HG   LEU   3            HG      LEU   3 -11.622 -13.966 -13.966
  596   1HD1  LEU   3          HD11      LEU   3 -12.729 -12.837 -12.837
  597   2HD1  LEU   3          HD13      LEU   3 -12.903 -11.404 -11.404
  598   3HD1  LEU   3          HD12      LEU   3 -13.710 -12.905 -12.905
  599   1HD2  LEU   3          HD21      LEU   3 -11.010 -11.256 -11.256
  600   2HD2  LEU   3          HD23      LEU   3 -11.153 -12.798 -12.798
  601   3HD2  LEU   3          HD22      LEU   3 -12.604 -11.917 -11.917
  602    H    LEU   4            HN      LEU   4  -8.143 -11.045 -11.045
  603    HA   LEU   4            HA      LEU   4  -6.657 -11.195 -11.195
  604   1HB   LEU   4           HB2      LEU   4  -9.025  -9.447  -9.447
  605   2HB   LEU   4           HB1      LEU   4  -7.677  -8.759  -8.759
  606    HG   LEU   4            HG      LEU   4  -8.959 -11.409 -11.409
  607   1HD1  LEU   4          HD11      LEU   4  -9.470  -8.654  -8.654
  608   2HD1  LEU   4          HD13      LEU   4 -10.111 -10.167 -10.167
  609   3HD1  LEU   4          HD12      LEU   4 -10.616  -9.597  -9.597
  610   1HD2  LEU   4          HD23      LEU   4  -6.533 -10.429 -10.429
  611   2HD2  LEU   4          HD22      LEU   4  -7.516 -11.452 -11.452
  612   3HD2  LEU   4          HD21      LEU   4  -7.547  -9.701  -9.701
  613    HA   PRO   5            HA      PRO   5  -4.310  -8.925  -8.925
  614   1HB   PRO   5           HB2      PRO   5  -1.836  -9.843  -9.843
  615   2HB   PRO   5           HB1      PRO   5  -2.904 -10.713 -10.713
  616   1HG   PRO   5           HG2      PRO   5  -2.296 -11.310 -11.310
  617   2HG   PRO   5           HG1      PRO   5  -2.803 -12.412 -12.412
  618   1HD   PRO   5           HD2      PRO   5  -4.474 -11.371 -11.371
  619   2HD   PRO   5           HD1      PRO   5  -5.018 -12.194 -12.194
  620    H    LYS   6            HN      LYS   6  -2.373  -7.367  -7.367
  621    HA   LYS   6            HA      LYS   6  -2.917  -5.570  -5.570
  622   1HB   LYS   6           HB2      LYS   6  -1.924  -4.835  -4.835
  623   2HB   LYS   6           HB1      LYS   6  -0.461  -5.750  -5.750
  624   1HG   LYS   6           HG2      LYS   6  -0.489  -4.313  -4.313
  625   2HG   LYS   6           HG1      LYS   6  -1.463  -3.220  -3.220
  626   1HD   LYS   6           HD2      LYS   6   0.419  -2.425  -2.425
  627   2HD   LYS   6           HD1      LYS   6   0.730  -4.022  -4.022
  628   1HE   LYS   6           HE2      LYS   6   2.666  -3.609  -3.609
  629   2HE   LYS   6           HE1      LYS   6   1.683  -4.582  -4.582
  630   1HZ   LYS   6           HZ3      LYS   6   0.793  -2.326  -2.326
  631   2HZ   LYS   6           HZ2      LYS   6   2.175  -1.675  -1.675
  632   3HZ   LYS   6           HZ1      LYS   6   2.336  -2.804  -2.804
  633    H    LEU   7            HN      LEU   7   0.492  -6.550  -6.550
  634    HA   LEU   7            HA      LEU   7   0.690  -8.312  -8.312
  635   1HB   LEU   7           HB2      LEU   7   0.211  -5.548  -5.548
  636   2HB   LEU   7           HB1      LEU   7   1.764  -6.113  -6.113
  637    HG   LEU   7            HG      LEU   7  -0.655  -7.875  -7.875
  638   1HD1  LEU   7          HD11      LEU   7  -1.017  -5.429  -5.429
  639   2HD1  LEU   7          HD13      LEU   7   0.074  -5.931  -5.931
  640   3HD1  LEU   7          HD12      LEU   7  -1.443  -6.792  -6.792
  641   1HD2  LEU   7          HD21      LEU   7   1.854  -7.421  -7.421
  642   2HD2  LEU   7          HD23      LEU   7   1.557  -8.775  -8.775
  643   3HD2  LEU   7          HD22      LEU   7   0.598  -8.599  -8.599
  644    HA   PRO   8            HA      PRO   8   4.587  -7.496  -7.496
  645   1HB   PRO   8           HB2      PRO   8   5.114 -10.122 -10.122
  646   2HB   PRO   8           HB1      PRO   8   4.108  -9.070  -9.070
  647   1HG   PRO   8           HG2      PRO   8   3.266 -11.291 -11.291
  648   2HG   PRO   8           HG1      PRO   8   2.438 -10.626 -10.626
  649   1HD   PRO   8           HD2      PRO   8   1.815 -10.073 -10.073
  650   2HD   PRO   8           HD1      PRO   8   1.172  -9.227  -9.227
  651    HA   PRO   9            HA      PRO   9   6.947  -8.696  -8.696
  652   1HB   PRO   9           HB2      PRO   9   9.449  -7.974  -7.974
  653   2HB   PRO   9           HB1      PRO   9   8.239  -6.809  -6.809
  654   1HG   PRO   9           HG2      PRO   9   9.134  -7.372  -7.372
  655   2HG   PRO   9           HG1      PRO   9   8.425  -5.895  -5.895
  656   1HD   PRO   9           HD2      PRO   9   7.064  -7.850  -7.850
  657   2HD   PRO   9           HD1      PRO   9   6.315  -6.519  -6.519
  658    H    LYS  10            HN      LYS  10   6.759 -11.016 -11.016
  659    HA   LYS  10            HA      LYS  10   7.541 -13.212 -13.212
  660   1HB   LYS  10           HB2      LYS  10  10.158 -11.841 -11.841
  661   2HB   LYS  10           HB1      LYS  10   9.953 -13.510 -13.510
  662   1HG   LYS  10           HG2      LYS  10   9.229 -12.822 -12.822
  663   2HG   LYS  10           HG1      LYS  10   9.066 -11.143 -11.143
  664   1HD   LYS  10           HD2      LYS  10  11.322 -10.742 -10.742
  665   2HD   LYS  10           HD1      LYS  10  11.740 -12.390 -12.390
  666   1HE   LYS  10           HE2      LYS  10  12.362 -12.273 -12.273
  667   2HE   LYS  10           HE1      LYS  10  10.790 -13.073 -13.073
  668   1HZ   LYS  10           HZ2      LYS  10   9.902 -10.675 -10.675
  669   2HZ   LYS  10           HZ1      LYS  10  11.478 -10.307 -10.307
  670   3HZ   LYS  10           HZ3      LYS  10  10.550 -11.440 -11.440
  671    H    THR  11            HN      THR  11   9.409 -14.232 -14.232
  672    HA   THR  11            HA      THR  11   8.657 -13.164 -13.164
  673    HB   THR  11            HB      THR  11   6.607 -14.371 -14.371
  674    HG1  THR  11           HG1      THR  11   6.926 -14.676 -14.676
  675   1HG2  THR  11          HG22      THR  11   7.858 -15.926 -15.926
  676   2HG2  THR  11          HG21      THR  11   8.231 -16.904 -16.904
  677   3HG2  THR  11          HG23      THR  11   6.551 -16.635 -16.635
  678    H    TYR  12            HN      TYR  12   9.963 -16.040 -16.040
  679    HA   TYR  12            HA      TYR  12  12.138 -16.089 -16.089
  680   1HB   TYR  12           HB2      TYR  12  10.277 -17.883 -17.883
  681   2HB   TYR  12           HB1      TYR  12  11.009 -18.627 -18.627
  682    HD1  TYR  12           HD1      TYR  12  11.524 -17.692 -17.692
  683    HD2  TYR  12           HD2      TYR  12  13.235 -19.606 -19.606
  684    HE1  TYR  12           HE1      TYR  12  13.292 -18.681 -18.681
  685    HE2  TYR  12           HE2      TYR  12  15.004 -20.596 -20.596
  686    HH   TYR  12            HH      TYR  12  14.835 -20.911 -20.911
  687    H    LYS  13            HN      LYS  13  14.007 -15.735 -15.735
  688    HA   LYS  13            HA      LYS  13  15.151 -17.398 -17.398
  689   1HB   LYS  13           HB2      LYS  13  15.048 -15.938 -15.938
  690   2HB   LYS  13           HB1      LYS  13  13.524 -16.715 -16.715
  691   1HG   LYS  13           HG2      LYS  13  12.489 -14.736 -14.736
  692   2HG   LYS  13           HG1      LYS  13  13.863 -14.101 -14.101
  693   1HD   LYS  13           HD2      LYS  13  13.559 -12.764 -12.764
  694   2HD   LYS  13           HD1      LYS  13  15.045 -13.699 -13.699
  695   1HE   LYS  13           HE2      LYS  13  13.392 -15.476 -15.476
  696   2HE   LYS  13           HE1      LYS  13  12.442 -14.029 -14.029
  697   1HZ   LYS  13           HZ3      LYS  13  15.310 -14.345 -14.345
  698   2HZ   LYS  13           HZ2      LYS  13  14.028 -14.593 -14.593
  699   3HZ   LYS  13           HZ1      LYS  13  14.298 -13.052 -13.052
  700    H    ARG  14            HN      ARG  14  14.896 -14.127 -14.127
  701    HA   ARG  14            HA      ARG  14  17.840 -14.024 -14.024
  702   1HB   ARG  14           HB2      ARG  14  17.265 -12.941 -12.941
  703   2HB   ARG  14           HB1      ARG  14  16.264 -11.784 -11.784
  704   1HG   ARG  14           HG2      ARG  14  18.305 -11.171 -11.171
  705   2HG   ARG  14           HG1      ARG  14  19.257 -12.177 -12.177
  706   1HD   ARG  14           HD2      ARG  14  19.003 -10.729 -10.729
  707   2HD   ARG  14           HD1      ARG  14  17.449 -10.126 -10.126
  708    HE   ARG  14            HE      ARG  14  19.872  -9.398  -9.398
  709   1HH1  ARG  14          HH21      ARG  14  18.132  -7.635  -7.635
  710   2HH1  ARG  14          HH22      ARG  14  17.938  -6.349  -6.349
  711   1HH2  ARG  14          HH11      ARG  14  19.278  -8.145  -8.145
  712   2HH2  ARG  14          HH12      ARG  14  18.587  -6.638  -6.638
  713    H    GLU  15            HN      GLU  15  14.771 -12.284 -12.284
  714    HA   GLU  15            HA      GLU  15  15.841 -11.525 -11.525
  715   1HB   GLU  15           HB2      GLU  15  15.612  -9.578  -9.578
  716   2HB   GLU  15           HB1      GLU  15  13.886  -9.925  -9.925
  717   1HG   GLU  15           HG2      GLU  15  13.877  -9.781  -9.781
  718   2HG   GLU  15           HG1      GLU  15  15.468  -9.035  -9.035

  Start of MODEL   23
    1   1H    GLY  -8           HT2      GLY  -8  -1.206 -12.688 -12.688
    2   2H    GLY  -8           HT1      GLY  -8  -1.403 -13.595 -13.595
    3   3H    GLY  -8           HT3      GLY  -8  -1.777 -14.286 -14.286
    4   1HA   GLY  -8           HA1      GLY  -8   0.476 -14.457 -14.457
    5   2HA   GLY  -8           HA2      GLY  -8   0.460 -15.024 -15.024
    6    H    SER  -7            HN      SER  -7   2.524 -13.948 -13.948
    7    HA   SER  -7            HA      SER  -7   3.836 -12.281 -12.281
    8   1HB   SER  -7           HB2      SER  -7   4.935 -13.945 -13.945
    9   2HB   SER  -7           HB1      SER  -7   4.771 -12.670 -12.670
   10    HG   SER  -7            HG      SER  -7   6.414 -11.721 -11.721
   11    H    ARG  -6            HN      ARG  -6   4.230 -10.057 -10.057
   12    HA   ARG  -6            HA      ARG  -6   2.434  -8.532  -8.532
   13   1HB   ARG  -6           HB2      ARG  -6   4.010  -7.969  -7.969
   14   2HB   ARG  -6           HB1      ARG  -6   3.706  -6.612  -6.612
   15   1HG   ARG  -6           HG2      ARG  -6   1.678  -6.433  -6.433
   16   2HG   ARG  -6           HG1      ARG  -6   1.235  -7.907  -7.907
   17   1HD   ARG  -6           HD2      ARG  -6   0.901  -8.816  -8.816
   18   2HD   ARG  -6           HD1      ARG  -6   2.658  -8.863  -8.863
   19    HE   ARG  -6            HE      ARG  -6   1.225  -6.402  -6.402
   20   1HH1  ARG  -6          HH21      ARG  -6   1.623  -9.312  -9.312
   21   2HH1  ARG  -6          HH22      ARG  -6   2.699  -8.791  -8.791
   22   1HH2  ARG  -6          HH11      ARG  -6   3.254  -5.670  -5.670
   23   2HH2  ARG  -6          HH12      ARG  -6   3.622  -6.730  -6.730
   24    H    ARG  -5            HN      ARG  -5   3.249  -6.754  -6.754
   25    HA   ARG  -5            HA      ARG  -5   6.142  -6.950  -6.950
   26   1HB   ARG  -5           HB2      ARG  -5   4.713  -8.281  -8.281
   27   2HB   ARG  -5           HB1      ARG  -5   3.923  -6.768  -6.768
   28   1HG   ARG  -5           HG2      ARG  -5   6.405  -5.929  -5.929
   29   2HG   ARG  -5           HG1      ARG  -5   6.742  -7.653  -7.653
   30   1HD   ARG  -5           HD2      ARG  -5   6.282  -6.844  -6.844
   31   2HD   ARG  -5           HD1      ARG  -5   4.849  -7.736  -7.736
   32    HE   ARG  -5            HE      ARG  -5   4.122  -5.257  -5.257
   33   1HH1  ARG  -5          HH21      ARG  -5   5.603  -3.452  -3.452
   34   2HH1  ARG  -5          HH22      ARG  -5   5.080  -3.474  -3.474
   35   1HH2  ARG  -5          HH11      ARG  -5   3.507  -6.553  -6.553
   36   2HH2  ARG  -5          HH12      ARG  -5   3.893  -5.229  -5.229
   37    H    ALA  -4            HN      ALA  -4   3.174  -5.125  -5.125
   38    HA   ALA  -4            HA      ALA  -4   4.345  -2.624  -2.624
   39   1HB   ALA  -4           HB3      ALA  -4   4.260  -3.303  -3.303
   40   2HB   ALA  -4           HB2      ALA  -4   3.989  -1.634  -1.634
   41   3HB   ALA  -4           HB1      ALA  -4   5.503  -2.443  -2.443
   42    H    SER  -3            HN      SER  -3   2.064  -3.712  -3.712
   43    HA   SER  -3            HA      SER  -3  -0.195  -2.497  -2.497
   44   1HB   SER  -3           HB2      SER  -3  -1.533  -3.731  -3.731
   45   2HB   SER  -3           HB1      SER  -3  -0.743  -4.707  -4.707
   46    HG   SER  -3            HG      SER  -3   0.623  -5.433  -5.433
   47    H    VAL  -2            HN      VAL  -2  -0.093  -0.307  -0.307
   48    HA   VAL  -2            HA      VAL  -2   0.495   0.701   0.701
   49    HB   VAL  -2            HB      VAL  -2  -1.056   2.066   2.066
   50   1HG1  VAL  -2          HG11      VAL  -2  -1.125   3.140   3.140
   51   2HG1  VAL  -2          HG13      VAL  -2   0.637   3.206   3.206
   52   3HG1  VAL  -2          HG12      VAL  -2  -0.289   4.124   4.124
   53   1HG2  VAL  -2          HG22      VAL  -2   1.884   1.606   1.606
   54   2HG2  VAL  -2          HG21      VAL  -2   0.965   1.476   1.476
   55   3HG2  VAL  -2          HG23      VAL  -2   1.340   3.065   3.065
   56    H    GLY  -1            HN      GLY  -1  -0.843  -0.087  -0.087
   57   1HA   GLY  -1           HA2      GLY  -1  -3.480   1.007   1.007
   58   2HA   GLY  -1           HA1      GLY  -1  -3.585  -0.693  -0.693
   59    H    SER   0            HN      SER   0  -4.096  -1.767  -1.767
   60    HA   SER   0            HA      SER   0  -2.190  -2.059  -2.059
   61   1HB   SER   0           HB2      SER   0  -4.054  -1.066  -1.066
   62   2HB   SER   0           HB1      SER   0  -2.701  -0.111  -0.111
   63    HG   SER   0            HG      SER   0  -5.022   0.673   0.673
   64    H    MET   1            HN      MET   1  -3.110  -3.434  -3.434
   65    HA   MET   1            HA      MET   1  -5.386  -5.082  -5.082
   66   1HB   MET   1           HB2      MET   1  -2.818  -5.781  -5.781
   67   2HB   MET   1           HB1      MET   1  -4.239  -6.762  -6.762
   68   1HG   MET   1           HG2      MET   1  -3.143  -7.783  -7.783
   69   2HG   MET   1           HG1      MET   1  -4.615  -7.013  -7.013
   70   1HE   MET   1           HE1      MET   1  -4.036  -7.211  -7.211
   71   2HE   MET   1           HE3      MET   1  -3.071  -6.073  -6.073
   72   3HE   MET   1           HE2      MET   1  -2.325  -7.520  -7.520
   73    H    GLU   2            HN      GLU   2  -6.085  -6.461  -6.461
   74    HA   GLU   2            HA      GLU   2  -6.615  -4.337  -4.337
   75   1HB   GLU   2           HB2      GLU   2  -8.469  -5.556  -5.556
   76   2HB   GLU   2           HB1      GLU   2  -8.711  -6.328  -6.328
   77   1HG   GLU   2           HG2      GLU   2  -9.226  -4.292  -4.292
   78   2HG   GLU   2           HG1      GLU   2  -8.494  -3.334  -3.334
   79    H    ALA   3            HN      ALA   3  -7.513  -5.560  -5.560
   80    HA   ALA   3            HA      ALA   3  -6.478  -8.251  -8.251
   81   1HB   ALA   3           HB1      ALA   3  -5.159  -5.850  -5.850
   82   2HB   ALA   3           HB3      ALA   3  -5.258  -7.292  -7.292
   83   3HB   ALA   3           HB2      ALA   3  -4.461  -7.374  -7.374
   84    H    ILE   4            HN      ILE   4  -8.083  -9.185  -9.185
   85    HA   ILE   4            HA      ILE   4 -10.207  -7.897  -7.897
   86    HB   ILE   4            HB      ILE   4 -10.521 -10.058 -10.058
   87   1HG1  ILE   4          HG12      ILE   4 -10.613 -11.027 -11.027
   88   2HG1  ILE   4          HG11      ILE   4 -11.270  -9.398  -9.398
   89   1HG2  ILE   4          HG21      ILE   4  -8.007 -10.612 -10.612
   90   2HG2  ILE   4          HG23      ILE   4  -9.199 -11.879 -11.879
   91   3HG2  ILE   4          HG22      ILE   4  -8.766 -11.437 -11.437
   92   1HD1  ILE   4          HD12      ILE   4 -12.029 -11.735 -11.735
   93   2HD1  ILE   4          HD11      ILE   4 -12.961 -11.161 -11.161
   94   3HD1  ILE   4          HD13      ILE   4 -12.742 -10.122 -10.122
   95    H    ALA   5            HN      ALA   5 -10.220  -6.918  -6.918
   96    HA   ALA   5            HA      ALA   5  -8.138  -7.297  -7.297
   97   1HB   ALA   5           HB2      ALA   5 -10.816  -5.842  -5.842
   98   2HB   ALA   5           HB1      ALA   5  -9.645  -5.847  -5.847
   99   3HB   ALA   5           HB3      ALA   5  -9.225  -5.107  -5.107
  100    H    LYS   6            HN      LYS   6  -8.189  -9.236  -9.236
  101    HA   LYS   6            HA      LYS   6 -10.534 -10.882 -10.882
  102   1HB   LYS   6           HB2      LYS   6  -7.976 -11.023 -11.023
  103   2HB   LYS   6           HB1      LYS   6  -9.162 -12.314 -12.314
  104   1HG   LYS   6           HG2      LYS   6  -8.620 -12.642 -12.642
  105   2HG   LYS   6           HG1      LYS   6  -7.890 -11.044 -11.044
  106   1HD   LYS   6           HD2      LYS   6  -6.132 -12.720 -12.720
  107   2HD   LYS   6           HD1      LYS   6  -6.069 -11.766 -11.766
  108   1HE   LYS   6           HE2      LYS   6  -6.842 -13.511 -13.511
  109   2HE   LYS   6           HE1      LYS   6  -7.740 -14.251 -14.251
  110   1HZ   LYS   6           HZ1      LYS   6  -5.479 -14.712 -14.712
  111   2HZ   LYS   6           HZ3      LYS   6  -4.830 -14.336 -14.336
  112   3HZ   LYS   6           HZ2      LYS   6  -5.911 -15.637 -15.637
  113    H    TYR   7            HN      TYR   7  -9.157  -8.378  -8.378
  114    HA   TYR   7            HA      TYR   7 -11.473  -8.722  -8.722
  115   1HB   TYR   7           HB2      TYR   7  -8.729  -8.240  -8.240
  116   2HB   TYR   7           HB1      TYR   7 -10.172  -8.789  -8.789
  117    HD1  TYR   7           HD1      TYR   7 -11.159 -11.086 -11.086
  118    HD2  TYR   7           HD2      TYR   7  -7.102  -9.780  -9.780
  119    HE1  TYR   7           HE1      TYR   7 -10.442 -13.439 -13.439
  120    HE2  TYR   7           HE2      TYR   7  -6.377 -12.117 -12.117
  121    HH   TYR   7            HH      TYR   7  -8.016 -14.427 -14.427
  122    H    ASP   8            HN      ASP   8 -11.057  -6.862  -6.862
  123    HA   ASP   8            HA      ASP   8 -11.060  -4.388  -4.388
  124   1HB   ASP   8           HB2      ASP   8 -12.335  -3.444  -3.444
  125   2HB   ASP   8           HB1      ASP   8 -12.968  -5.065  -5.065
  126    H    PHE   9            HN      PHE   9 -10.096  -2.410  -2.410
  127    HA   PHE   9            HA      PHE   9  -8.196  -2.368  -2.368
  128   1HB   PHE   9           HB2      PHE   9  -7.201  -3.926  -3.926
  129   2HB   PHE   9           HB1      PHE   9  -6.307  -2.411  -2.411
  130    HD1  PHE   9           HD1      PHE   9  -7.745  -4.237  -4.237
  131    HD2  PHE   9           HD2      PHE   9  -4.189  -3.010  -3.010
  132    HE1  PHE   9           HE1      PHE   9  -6.357  -5.029  -5.029
  133    HE2  PHE   9           HE2      PHE   9  -2.808  -3.806  -3.806
  134    HZ   PHE   9            HZ      PHE   9  -3.890  -4.812  -4.812
  135    H    LYS  10            HN      LYS  10  -6.396  -0.580  -0.580
  136    HA   LYS  10            HA      LYS  10  -7.523   1.443   1.443
  137   1HB   LYS  10           HB2      LYS  10  -7.483   3.193   3.193
  138   2HB   LYS  10           HB1      LYS  10  -8.472   1.864   1.864
  139   1HG   LYS  10           HG2      LYS  10  -5.539   2.109   2.109
  140   2HG   LYS  10           HG1      LYS  10  -6.800   2.870   2.870
  141   1HD   LYS  10           HD2      LYS  10  -7.796   0.326   0.326
  142   2HD   LYS  10           HD1      LYS  10  -6.061   0.019   0.019
  143   1HE   LYS  10           HE2      LYS  10  -5.849   0.998   0.998
  144   2HE   LYS  10           HE1      LYS  10  -7.385   1.853   1.853
  145   1HZ   LYS  10           HZ3      LYS  10  -8.455  -0.395  -0.395
  146   2HZ   LYS  10           HZ2      LYS  10  -6.955  -1.054  -1.054
  147   3HZ   LYS  10           HZ1      LYS  10  -7.755   0.027   0.027
  148    H    ALA  11            HN      ALA  11  -5.995   3.452   3.452
  149    HA   ALA  11            HA      ALA  11  -3.464   2.453   2.453
  150   1HB   ALA  11           HB1      ALA  11  -4.833   4.599   4.599
  151   2HB   ALA  11           HB3      ALA  11  -3.889   5.351   5.351
  152   3HB   ALA  11           HB2      ALA  11  -3.065   4.596   4.596
  153    H    THR  12            HN      THR  12  -1.528   2.407   2.407
  154    HA   THR  12            HA      THR  12  -1.642   3.405   3.405
  155    HB   THR  12            HB      THR  12  -0.157   1.633   1.633
  156    HG1  THR  12           HG1      THR  12   1.199   0.850   0.850
  157   1HG2  THR  12          HG21      THR  12  -2.585   1.033   1.033
  158   2HG2  THR  12          HG23      THR  12  -2.006   0.354   0.354
  159   3HG2  THR  12          HG22      THR  12  -1.450  -0.316  -0.316
  160    H    ALA  13            HN      ALA  13  -0.911   5.060   5.060
  161    HA   ALA  13            HA      ALA  13   1.487   6.268   6.268
  162   1HB   ALA  13           HB1      ALA  13   1.817   4.315   4.315
  163   2HB   ALA  13           HB3      ALA  13   2.862   5.733   5.733
  164   3HB   ALA  13           HB2      ALA  13   2.833   4.530   4.530
  165    H    ASP  14            HN      ASP  14   2.353   7.828   7.828
  166    HA   ASP  14            HA      ASP  14   0.159   9.366   9.366
  167   1HB   ASP  14           HB2      ASP  14   2.463  10.031  10.031
  168   2HB   ASP  14           HB1      ASP  14   3.027   9.826   9.826
  169    H    ASP  15            HN      ASP  15   1.865   6.744   6.744
  170    HA   ASP  15            HA      ASP  15   0.988   7.474   7.474
  171   1HB   ASP  15           HB2      ASP  15   3.487   7.671   7.671
  172   2HB   ASP  15           HB1      ASP  15   3.498   5.931   5.931
  173    H    GLU  16            HN      GLU  16  -0.207   5.770   5.770
  174    HA   GLU  16            HA      GLU  16  -0.080   3.119   3.119
  175   1HB   GLU  16           HB2      GLU  16   0.337   3.429   3.429
  176   2HB   GLU  16           HB1      GLU  16  -1.408   3.636   3.636
  177   1HG   GLU  16           HG2      GLU  16  -1.831   1.450   1.450
  178   2HG   GLU  16           HG1      GLU  16  -0.534   1.335   1.335
  179    H    LEU  17            HN      LEU  17  -2.345   1.975   1.975
  180    HA   LEU  17            HA      LEU  17  -4.412   3.953   3.953
  181   1HB   LEU  17           HB2      LEU  17  -3.504   2.798   2.798
  182   2HB   LEU  17           HB1      LEU  17  -3.808   1.242   1.242
  183    HG   LEU  17            HG      LEU  17  -6.276   1.895   1.895
  184   1HD1  LEU  17          HD12      LEU  17  -5.233   4.375   4.375
  185   2HD1  LEU  17          HD11      LEU  17  -6.046   3.722   3.722
  186   3HD1  LEU  17          HD13      LEU  17  -6.935   3.922   3.922
  187   1HD2  LEU  17          HD22      LEU  17  -4.620   1.122   1.122
  188   2HD2  LEU  17          HD21      LEU  17  -6.076   0.366   0.366
  189   3HD2  LEU  17          HD23      LEU  17  -6.209   1.758   1.758
  190    H    SER  18            HN      SER  18  -6.569   3.486   3.486
  191    HA   SER  18            HA      SER  18  -6.923   1.484   1.484
  192   1HB   SER  18           HB2      SER  18  -8.802   3.631   3.631
  193   2HB   SER  18           HB1      SER  18  -8.495   2.873   2.873
  194    HG   SER  18            HG      SER  18  -7.455   4.779   4.779
  195    H    PHE  19            HN      PHE  19  -8.885   0.204   0.204
  196    HA   PHE  19            HA      PHE  19 -10.791   0.309   0.309
  197   1HB   PHE  19           HB2      PHE  19 -10.156  -1.828  -1.828
  198   2HB   PHE  19           HB1      PHE  19  -8.942  -0.568  -0.568
  199    HD1  PHE  19           HD1      PHE  19  -9.801  -3.587  -3.587
  200    HD2  PHE  19           HD2      PHE  19  -6.721  -0.827  -0.827
  201    HE1  PHE  19           HE1      PHE  19  -8.091  -5.059  -5.059
  202    HE2  PHE  19           HE2      PHE  19  -5.012  -2.298  -2.298
  203    HZ   PHE  19            HZ      PHE  19  -5.696  -4.415  -4.415
  204    H    LYS  20            HN      LYS  20 -12.183  -1.786  -1.786
  205    HA   LYS  20            HA      LYS  20 -12.254  -2.776  -2.776
  206   1HB   LYS  20           HB2      LYS  20 -14.563  -2.377  -2.377
  207   2HB   LYS  20           HB1      LYS  20 -14.677  -2.895  -2.895
  208   1HG   LYS  20           HG2      LYS  20 -13.380  -0.302  -0.302
  209   2HG   LYS  20           HG1      LYS  20 -15.097  -0.423  -0.423
  210   1HD   LYS  20           HD2      LYS  20 -14.731  -0.729  -0.729
  211   2HD   LYS  20           HD1      LYS  20 -13.241  -1.635  -1.635
  212   1HE   LYS  20           HE2      LYS  20 -12.475   0.800   0.800
  213   2HE   LYS  20           HE1      LYS  20 -13.648   1.288   1.288
  214   1HZ   LYS  20           HZ1      LYS  20 -11.596  -0.740  -0.740
  215   2HZ   LYS  20           HZ3      LYS  20 -11.228   0.912   0.912
  216   3HZ   LYS  20           HZ2      LYS  20 -12.459   0.258   0.258
  217    H    ARG  21            HN      ARG  21 -13.809  -4.813  -4.813
  218    HA   ARG  21            HA      ARG  21 -12.433  -6.876  -6.876
  219   1HB   ARG  21           HB2      ARG  21 -13.403  -7.170  -7.170
  220   2HB   ARG  21           HB1      ARG  21 -15.014  -6.947  -6.947
  221   1HG   ARG  21           HG2      ARG  21 -14.774  -8.940  -8.940
  222   2HG   ARG  21           HG1      ARG  21 -13.092  -9.131  -9.131
  223   1HD   ARG  21           HD2      ARG  21 -13.665  -9.909  -9.909
  224   2HD   ARG  21           HD1      ARG  21 -15.094  -8.878  -8.878
  225    HE   ARG  21            HE      ARG  21 -15.076 -11.322 -11.322
  226   1HH1  ARG  21          HH21      ARG  21 -17.316  -9.158  -9.158
  227   2HH1  ARG  21          HH22      ARG  21 -18.388 -10.102 -10.102
  228   1HH2  ARG  21          HH11      ARG  21 -16.068 -12.612 -12.612
  229   2HH2  ARG  21          HH12      ARG  21 -17.681 -12.056 -12.056
  230    H    GLY  22            HN      GLY  22 -12.783  -7.112  -7.112
  231   1HA   GLY  22           HA2      GLY  22 -14.285  -7.940  -7.940
  232   2HA   GLY  22           HA1      GLY  22 -15.605  -7.073  -7.073
  233    H    ASP  23            HN      ASP  23 -12.882  -5.101  -5.101
  234    HA   ASP  23            HA      ASP  23 -13.855  -3.569  -3.569
  235   1HB   ASP  23           HB2      ASP  23 -13.014  -2.879  -2.879
  236   2HB   ASP  23           HB1      ASP  23 -11.729  -2.329  -2.329
  237    H    ILE  24            HN      ILE  24 -12.882  -4.415  -4.415
  238    HA   ILE  24            HA      ILE  24 -10.140  -5.358  -5.358
  239    HB   ILE  24            HB      ILE  24 -11.687  -4.734  -4.734
  240   1HG1  ILE  24          HG12      ILE  24 -12.024  -7.041  -7.041
  241   2HG1  ILE  24          HG11      ILE  24 -13.280  -5.997  -5.997
  242   1HG2  ILE  24          HG21      ILE  24  -9.166  -5.596  -5.596
  243   2HG2  ILE  24          HG23      ILE  24  -9.985  -7.149  -7.149
  244   3HG2  ILE  24          HG22      ILE  24 -10.143  -6.136  -6.136
  245   1HD1  ILE  24          HD13      ILE  24 -12.528  -6.985  -6.985
  246   2HD1  ILE  24          HD12      ILE  24 -11.824  -8.267  -8.267
  247   3HD1  ILE  24          HD11      ILE  24 -13.558  -7.952  -7.952
  248    H    LEU  25            HN      LEU  25  -8.319  -4.298  -4.298
  249    HA   LEU  25            HA      LEU  25  -8.569  -1.361  -1.361
  250   1HB   LEU  25           HB2      LEU  25  -5.997  -2.917  -2.917
  251   2HB   LEU  25           HB1      LEU  25  -6.271  -1.207  -1.207
  252    HG   LEU  25            HG      LEU  25  -6.233  -2.157  -2.157
  253   1HD1  LEU  25          HD12      LEU  25  -8.575  -1.025  -1.025
  254   2HD1  LEU  25          HD11      LEU  25  -9.149  -2.519  -2.519
  255   3HD1  LEU  25          HD13      LEU  25  -8.194  -1.383  -1.383
  256   1HD2  LEU  25          HD23      LEU  25  -6.709  -4.545  -4.545
  257   2HD2  LEU  25          HD22      LEU  25  -6.739  -4.315  -4.315
  258   3HD2  LEU  25          HD21      LEU  25  -8.247  -4.290  -4.290
  259    H    LYS  26            HN      LYS  26  -7.213  -0.230  -0.230
  260    HA   LYS  26            HA      LYS  26  -7.004  -1.842  -1.842
  261   1HB   LYS  26           HB2      LYS  26  -8.236   0.532   0.532
  262   2HB   LYS  26           HB1      LYS  26  -6.620   1.113   1.113
  263   1HG   LYS  26           HG2      LYS  26  -6.632  -0.119  -0.119
  264   2HG   LYS  26           HG1      LYS  26  -8.164  -0.888  -0.888
  265   1HD   LYS  26           HD2      LYS  26  -8.893   0.850   0.850
  266   2HD   LYS  26           HD1      LYS  26  -9.014   1.595   1.595
  267   1HE   LYS  26           HE2      LYS  26  -6.609   2.415   2.415
  268   2HE   LYS  26           HE1      LYS  26  -6.844   1.961   1.961
  269   1HZ   LYS  26           HZ2      LYS  26  -8.859   3.374   3.374
  270   2HZ   LYS  26           HZ1      LYS  26  -8.443   3.908   3.908
  271   3HZ   LYS  26           HZ3      LYS  26  -7.421   4.245   4.245
  272    H    VAL  27            HN      VAL  27  -4.956  -2.822  -2.822
  273    HA   VAL  27            HA      VAL  27  -2.667  -1.534  -1.534
  274    HB   VAL  27            HB      VAL  27  -2.740  -3.786  -3.786
  275   1HG1  VAL  27          HG12      VAL  27  -0.541  -2.392  -2.392
  276   2HG1  VAL  27          HG11      VAL  27  -0.634  -3.639  -3.639
  277   3HG1  VAL  27          HG13      VAL  27  -0.506  -4.093  -4.093
  278   1HG2  VAL  27          HG21      VAL  27  -3.964  -3.804  -3.804
  279   2HG2  VAL  27          HG23      VAL  27  -3.241  -5.237  -5.237
  280   3HG2  VAL  27          HG22      VAL  27  -2.337  -4.305  -4.305
  281    H    LEU  28            HN      LEU  28  -1.996   0.392   0.392
  282    HA   LEU  28            HA      LEU  28  -1.883   0.863   0.863
  283   1HB   LEU  28           HB2      LEU  28  -0.539   2.812   2.812
  284   2HB   LEU  28           HB1      LEU  28  -1.629   3.109   3.109
  285    HG   LEU  28            HG      LEU  28  -3.297   1.950   1.950
  286   1HD1  LEU  28          HD13      LEU  28  -1.270   3.749   3.749
  287   2HD1  LEU  28          HD12      LEU  28  -2.825   3.319   3.319
  288   3HD1  LEU  28          HD11      LEU  28  -1.624   2.067   2.067
  289   1HD2  LEU  28          HD22      LEU  28  -2.810   4.594   4.594
  290   2HD2  LEU  28          HD21      LEU  28  -4.338   3.773   3.773
  291   3HD2  LEU  28          HD23      LEU  28  -3.551   4.690   4.690
  292    H    ASN  29            HN      ASN  29   0.188   0.125   0.125
  293    HA   ASN  29            HA      ASN  29   2.350  -0.623  -0.623
  294   1HB   ASN  29           HB2      ASN  29   2.960   1.389   1.389
  295   2HB   ASN  29           HB1      ASN  29   4.061   0.777   0.777
  296   1HD2  ASN  29          HD22      ASN  29   3.017   3.078   3.078
  297   2HD2  ASN  29          HD21      ASN  29   4.051   1.795   1.795
  298    H    GLU  30            HN      GLU  30   4.372  -1.232  -1.232
  299    HA   GLU  30            HA      GLU  30   3.308  -2.656  -2.656
  300   1HB   GLU  30           HB2      GLU  30   4.768  -4.608  -4.608
  301   2HB   GLU  30           HB1      GLU  30   3.431  -4.348  -4.348
  302   1HG   GLU  30           HG2      GLU  30   5.021  -2.966  -2.966
  303   2HG   GLU  30           HG1      GLU  30   6.314  -3.557  -3.557
  304    H    GLU  31            HN      GLU  31   4.420  -0.414  -0.414
  305    HA   GLU  31            HA      GLU  31   7.357  -0.634  -0.634
  306   1HB   GLU  31           HB2      GLU  31   5.359   1.517   1.517
  307   2HB   GLU  31           HB1      GLU  31   7.078   1.633   1.633
  308   1HG   GLU  31           HG2      GLU  31   7.424   1.097   1.097
  309   2HG   GLU  31           HG1      GLU  31   5.745   1.614   1.614
  310    H    CYS  32            HN      CYS  32   8.076   0.299   0.299
  311    HA   CYS  32            HA      CYS  32   8.271  -0.148  -0.148
  312   1HB   CYS  32           HB2      CYS  32   5.570   0.213   0.213
  313   2HB   CYS  32           HB1      CYS  32   5.616  -1.419  -1.419
  314    HG   CYS  32            HG      CYS  32   7.342   0.464   0.464
  315    H    ASP  33            HN      ASP  33   7.479  -2.219  -2.219
  316    HA   ASP  33            HA      ASP  33   9.167  -4.295  -4.295
  317   1HB   ASP  33           HB2      ASP  33   7.481  -3.790  -3.790
  318   2HB   ASP  33           HB1      ASP  33   6.543  -5.025  -5.025
  319    H    GLN  34            HN      GLN  34   8.661  -6.606  -6.606
  320    HA   GLN  34            HA      GLN  34   7.230  -6.659  -6.659
  321   1HB   GLN  34           HB2      GLN  34   9.530  -7.884  -7.884
  322   2HB   GLN  34           HB1      GLN  34   8.356  -9.188  -9.188
  323   1HG   GLN  34           HG2      GLN  34   8.817  -9.505  -9.505
  324   2HG   GLN  34           HG1      GLN  34   7.630  -8.218  -8.218
  325   1HE2  GLN  34          HE22      GLN  34  11.541  -7.506  -7.506
  326   2HE2  GLN  34          HE21      GLN  34  11.043  -9.005  -9.005
  327    H    ASN  35            HN      ASN  35   6.011  -6.673  -6.673
  328    HA   ASN  35            HA      ASN  35   4.190  -8.952  -8.952
  329   1HB   ASN  35           HB2      ASN  35   5.143  -7.716  -7.716
  330   2HB   ASN  35           HB1      ASN  35   3.753  -8.805  -8.805
  331   1HD2  ASN  35          HD22      ASN  35   5.851 -11.629 -11.629
  332   2HD2  ASN  35          HD21      ASN  35   4.382 -10.901 -10.901
  333    H    TRP  36            HN      TRP  36   4.413  -5.565  -5.565
  334    HA   TRP  36            HA      TRP  36   1.432  -5.423  -5.423
  335   1HB   TRP  36           HB2      TRP  36   3.363  -3.117  -3.117
  336   2HB   TRP  36           HB1      TRP  36   1.625  -3.112  -3.112
  337    HD1  TRP  36           HD1      TRP  36   4.485  -5.528  -5.528
  338    HE1  TRP  36           HE1      TRP  36   4.332  -5.754  -5.754
  339    HE3  TRP  36           HE3      TRP  36   0.496  -2.408  -2.408
  340    HZ2  TRP  36           HZ2      TRP  36   2.845  -4.759  -4.759
  341    HZ3  TRP  36           HZ3      TRP  36  -0.199  -2.069  -2.069
  342    HH2  TRP  36           HH2      TRP  36   0.951  -3.246  -3.246
  343    H    TYR  37            HN      TYR  37   0.301  -4.531  -4.531
  344    HA   TYR  37            HA      TYR  37   1.761  -3.973  -3.973
  345   1HB   TYR  37           HB2      TYR  37  -1.188  -4.216  -4.216
  346   2HB   TYR  37           HB1      TYR  37  -0.546  -3.897  -3.897
  347    HD1  TYR  37           HD1      TYR  37   1.791  -5.713  -5.713
  348    HD2  TYR  37           HD2      TYR  37  -2.126  -6.324  -6.324
  349    HE1  TYR  37           HE1      TYR  37   1.998  -8.156  -8.156
  350    HE2  TYR  37           HE2      TYR  37  -1.928  -8.755  -8.755
  351    HH   TYR  37            HH      TYR  37   1.067 -10.232 -10.232
  352    H    LYS  38            HN      LYS  38   1.056  -2.111  -2.111
  353    HA   LYS  38            HA      LYS  38   0.292   0.259   0.259
  354   1HB   LYS  38           HB2      LYS  38   2.528   0.183   0.183
  355   2HB   LYS  38           HB1      LYS  38   1.470   0.405   0.405
  356   1HG   LYS  38           HG2      LYS  38   0.623   2.251   2.251
  357   2HG   LYS  38           HG1      LYS  38   2.378   2.367   2.367
  358   1HD   LYS  38           HD2      LYS  38   1.406   2.205   2.205
  359   2HD   LYS  38           HD1      LYS  38   0.387   3.369   3.369
  360   1HE   LYS  38           HE2      LYS  38   2.392   4.566   4.566
  361   2HE   LYS  38           HE1      LYS  38   3.413   3.410   3.410
  362   1HZ   LYS  38           HZ2      LYS  38   1.310   4.775   4.775
  363   2HZ   LYS  38           HZ1      LYS  38   2.689   5.672   5.672
  364   3HZ   LYS  38           HZ3      LYS  38   2.851   4.261   4.261
  365    H    ALA  39            HN      ALA  39  -1.879   0.730   0.730
  366    HA   ALA  39            HA      ALA  39  -3.013   0.423   0.423
  367   1HB   ALA  39           HB3      ALA  39  -3.304  -1.713  -1.713
  368   2HB   ALA  39           HB2      ALA  39  -4.150  -0.884  -0.884
  369   3HB   ALA  39           HB1      ALA  39  -4.849  -0.924  -0.924
  370    H    GLU  40            HN      GLU  40  -5.549   0.853   0.853
  371    HA   GLU  40            HA      GLU  40  -5.856   3.198   3.198
  372   1HB   GLU  40           HB2      GLU  40  -5.435   4.705   4.705
  373   2HB   GLU  40           HB1      GLU  40  -4.809   3.385   3.385
  374   1HG   GLU  40           HG2      GLU  40  -7.005   3.132   3.132
  375   2HG   GLU  40           HG1      GLU  40  -7.708   4.343   4.343
  376    H    LEU  41            HN      LEU  41  -7.799   3.558   3.558
  377    HA   LEU  41            HA      LEU  41 -10.019   1.959   1.959
  378   1HB   LEU  41           HB2      LEU  41  -9.434   2.963   2.963
  379   2HB   LEU  41           HB1      LEU  41 -11.134   2.852   2.852
  380    HG   LEU  41            HG      LEU  41  -9.274   0.603   0.603
  381   1HD1  LEU  41          HD12      LEU  41 -10.394   1.457   1.457
  382   2HD1  LEU  41          HD11      LEU  41 -10.370  -0.269  -0.269
  383   3HD1  LEU  41          HD13      LEU  41  -8.866   0.653   0.653
  384   1HD2  LEU  41          HD21      LEU  41 -11.605   0.831   0.831
  385   2HD2  LEU  41          HD23      LEU  41 -11.331  -0.647  -0.647
  386   3HD2  LEU  41          HD22      LEU  41 -12.211   0.696   0.696
  387    H    ASN  42            HN      ASN  42 -10.699   3.050   3.050
  388    HA   ASN  42            HA      ASN  42 -11.695   4.788   4.788
  389   1HB   ASN  42           HB2      ASN  42 -13.125   4.357   4.357
  390   2HB   ASN  42           HB1      ASN  42 -13.615   5.745   5.745
  391   1HD2  ASN  42          HD22      ASN  42 -14.825   3.706   3.706
  392   2HD2  ASN  42          HD21      ASN  42 -14.148   5.223   5.223
  393    H    GLY  43            HN      GLY  43  -9.421   5.839   5.839
  394   1HA   GLY  43           HA2      GLY  43  -9.226   8.457   8.457
  395   2HA   GLY  43           HA1      GLY  43 -10.387   8.535   8.535
  396    H    LYS  44            HN      LYS  44  -9.225   6.430   6.430
  397    HA   LYS  44            HA      LYS  44  -6.954   7.881   7.881
  398   1HB   LYS  44           HB2      LYS  44  -8.788   5.746   5.746
  399   2HB   LYS  44           HB1      LYS  44  -7.157   5.862   5.862
  400   1HG   LYS  44           HG2      LYS  44  -7.506   7.911   7.911
  401   2HG   LYS  44           HG1      LYS  44  -8.697   8.388   8.388
  402   1HD   LYS  44           HD2      LYS  44  -9.203   6.262   6.262
  403   2HD   LYS  44           HD1      LYS  44  -9.679   7.951   7.951
  404   1HE   LYS  44           HE2      LYS  44 -10.501   6.711   6.711
  405   2HE   LYS  44           HE1      LYS  44 -11.269   6.031   6.031
  406   1HZ   LYS  44           HZ2      LYS  44 -11.141   8.930   8.930
  407   2HZ   LYS  44           HZ1      LYS  44 -12.485   7.934   7.934
  408   3HZ   LYS  44           HZ3      LYS  44 -11.980   8.209   8.209
  409    H    ASP  45            HN      ASP  45  -5.221   6.327   6.327
  410    HA   ASP  45            HA      ASP  45  -4.728   3.983   3.983
  411   1HB   ASP  45           HB2      ASP  45  -3.628   4.678   4.678
  412   2HB   ASP  45           HB1      ASP  45  -4.439   6.196   6.196
  413    H    GLY  46            HN      GLY  46  -2.136   3.632   3.632
  414   1HA   GLY  46           HA2      GLY  46  -0.118   4.255   4.255
  415   2HA   GLY  46           HA1      GLY  46  -1.195   4.299   4.299
  416    H    PHE  47            HN      PHE  47   0.776   2.746   2.746
  417    HA   PHE  47            HA      PHE  47   0.847   0.103   0.103
  418   1HB   PHE  47           HB2      PHE  47   1.599   0.902   0.902
  419   2HB   PHE  47           HB1      PHE  47   2.240  -0.445  -0.445
  420    HD1  PHE  47           HD2      PHE  47   2.815   0.669   0.669
  421    HD2  PHE  47           HD1      PHE  47   3.306   2.466   2.466
  422    HE1  PHE  47           HE2      PHE  47   4.572   2.163   2.163
  423    HE2  PHE  47           HE1      PHE  47   5.062   3.958   3.958
  424    HZ   PHE  47            HZ      PHE  47   5.695   3.807   3.807
  425    H    ILE  48            HN      ILE  48   0.152  -1.935  -1.935
  426    HA   ILE  48            HA      ILE  48  -1.922  -1.729  -1.729
  427    HB   ILE  48            HB      ILE  48  -3.400  -3.298  -3.298
  428   1HG1  ILE  48          HG12      ILE  48  -1.935  -1.866  -1.866
  429   2HG1  ILE  48          HG11      ILE  48  -1.575  -3.528  -3.528
  430   1HG2  ILE  48          HG22      ILE  48  -3.583  -0.693  -0.693
  431   2HG2  ILE  48          HG21      ILE  48  -3.371  -0.565  -0.565
  432   3HG2  ILE  48          HG23      ILE  48  -4.718  -1.494  -1.494
  433   1HD1  ILE  48          HD12      ILE  48  -4.446  -3.044  -3.044
  434   2HD1  ILE  48          HD11      ILE  48  -3.505  -2.754  -2.754
  435   3HD1  ILE  48          HD13      ILE  48  -3.427  -4.322  -4.322
  436    HA   PRO  49            HA      PRO  49   0.461  -5.394  -5.394
  437   1HB   PRO  49           HB2      PRO  49  -1.032  -6.399  -6.399
  438   2HB   PRO  49           HB1      PRO  49   0.205  -5.135  -5.135
  439   1HG   PRO  49           HG2      PRO  49  -2.792  -4.863  -4.863
  440   2HG   PRO  49           HG1      PRO  49  -1.581  -3.849  -3.849
  441   1HD   PRO  49           HD2      PRO  49  -2.857  -3.158  -3.158
  442   2HD   PRO  49           HD1      PRO  49  -1.365  -2.453  -2.453
  443    H    LYS  50            HN      LYS  50   0.279  -6.925  -6.925
  444    HA   LYS  50            HA      LYS  50  -2.011  -7.866  -7.866
  445   1HB   LYS  50           HB2      LYS  50   0.277  -8.156  -8.156
  446   2HB   LYS  50           HB1      LYS  50   0.590  -9.275  -9.275
  447   1HG   LYS  50           HG2      LYS  50  -1.158 -10.783 -10.783
  448   2HG   LYS  50           HG1      LYS  50  -1.357  -9.674  -9.674
  449   1HD   LYS  50           HD2      LYS  50   0.648 -10.271 -10.271
  450   2HD   LYS  50           HD1      LYS  50   1.452 -10.454 -10.454
  451   1HE   LYS  50           HE2      LYS  50  -0.393 -12.516 -12.516
  452   2HE   LYS  50           HE1      LYS  50   0.074 -12.471 -12.471
  453   1HZ   LYS  50           HZ2      LYS  50   2.449 -12.320 -12.320
  454   2HZ   LYS  50           HZ1      LYS  50   1.751 -12.945 -12.945
  455   3HZ   LYS  50           HZ3      LYS  50   1.667 -13.828 -13.828
  456    H    ASN  51            HN      ASN  51  -1.016  -8.742  -8.742
  457    HA   ASN  51            HA      ASN  51  -2.035 -11.306 -11.306
  458   1HB   ASN  51           HB2      ASN  51  -1.382  -9.174  -9.174
  459   2HB   ASN  51           HB1      ASN  51  -2.373 -10.452 -10.452
  460   1HD2  ASN  51          HD22      ASN  51   0.231 -12.939 -12.939
  461   2HD2  ASN  51          HD21      ASN  51  -1.452 -12.764 -12.764
  462    H    TYR  52            HN      TYR  52  -3.544  -8.212  -8.212
  463    HA   TYR  52            HA      TYR  52  -6.210  -9.374  -9.374
  464   1HB   TYR  52           HB2      TYR  52  -5.147  -6.540  -6.540
  465   2HB   TYR  52           HB1      TYR  52  -6.858  -6.882  -6.882
  466    HD1  TYR  52           HD1      TYR  52  -3.833  -8.292  -8.292
  467    HD2  TYR  52           HD2      TYR  52  -7.638  -6.381  -6.381
  468    HE1  TYR  52           HE1      TYR  52  -3.663  -8.310  -8.310
  469    HE2  TYR  52           HE2      TYR  52  -7.466  -6.408  -6.408
  470    HH   TYR  52            HH      TYR  52  -6.234  -7.829  -7.829
  471    H    ILE  53            HN      ILE  53  -4.743  -9.810  -9.810
  472    HA   ILE  53            HA      ILE  53  -6.777  -8.910  -8.910
  473    HB   ILE  53            HB      ILE  53  -4.259  -8.217  -8.217
  474   1HG1  ILE  53          HG12      ILE  53  -5.152  -6.488  -6.488
  475   2HG1  ILE  53          HG11      ILE  53  -3.736  -7.535  -7.535
  476   1HG2  ILE  53          HG22      ILE  53  -6.632  -7.660  -7.660
  477   2HG2  ILE  53          HG21      ILE  53  -6.602  -6.408  -6.408
  478   3HG2  ILE  53          HG23      ILE  53  -5.444  -6.370  -6.370
  479   1HD1  ILE  53          HD12      ILE  53  -3.229  -6.240  -6.240
  480   2HD1  ILE  53          HD11      ILE  53  -4.195  -5.004  -5.004
  481   3HD1  ILE  53          HD13      ILE  53  -2.727  -5.606  -5.606
  482    H    GLU  54            HN      GLU  54  -6.103  -9.502  -9.502
  483    HA   GLU  54            HA      GLU  54  -4.340 -11.711 -11.711
  484   1HB   GLU  54           HB2      GLU  54  -7.166 -12.107 -12.107
  485   2HB   GLU  54           HB1      GLU  54  -6.629 -12.589 -12.589
  486   1HG   GLU  54           HG2      GLU  54  -4.685 -13.758 -13.758
  487   2HG   GLU  54           HG1      GLU  54  -5.899 -13.731 -13.731
  488    H    MET  55            HN      MET  55  -3.998 -12.126 -12.126
  489    HA   MET  55            HA      MET  55  -4.253  -9.578  -9.578
  490   1HB   MET  55           HB2      MET  55  -2.134 -11.151 -11.151
  491   2HB   MET  55           HB1      MET  55  -2.797 -11.905 -11.905
  492   1HG   MET  55           HG2      MET  55  -2.953  -9.555  -9.555
  493   2HG   MET  55           HG1      MET  55  -1.961  -9.023  -9.023
  494   1HE   MET  55           HE1      MET  55  -2.485 -10.439 -10.439
  495   2HE   MET  55           HE3      MET  55  -1.109  -9.464  -9.464
  496   3HE   MET  55           HE2      MET  55  -1.031 -11.222 -11.222
  497    H    LYS  56            HN      LYS  56  -6.080  -9.342  -9.342
  498    HA   LYS  56            HA      LYS  56  -7.033 -11.608 -11.608
  499   1HB   LYS  56           HB2      LYS  56  -8.299  -9.236  -9.236
  500   2HB   LYS  56           HB1      LYS  56  -8.947  -9.850  -9.850
  501   1HG   LYS  56           HG2      LYS  56  -9.374 -11.990 -11.990
  502   2HG   LYS  56           HG1      LYS  56  -8.361 -11.646 -11.646
  503   1HD   LYS  56           HD2      LYS  56 -10.734 -11.473 -11.473
  504   2HD   LYS  56           HD1      LYS  56  -9.959  -9.891  -9.891
  505   1HE   LYS  56           HE2      LYS  56 -10.988  -9.122  -9.122
  506   2HE   LYS  56           HE1      LYS  56 -11.313 -10.750 -10.750
  507   1HZ   LYS  56           HZ3      LYS  56 -12.567 -10.029 -10.029
  508   2HZ   LYS  56           HZ2      LYS  56 -13.162  -9.239  -9.239
  509   3HZ   LYS  56           HZ1      LYS  56 -13.178 -10.934 -10.934
  510    HA   PRO  57            HA      PRO  57  -5.738  -9.715  -9.715
  511   1HB   PRO  57           HB2      PRO  57  -7.445 -10.795 -10.795
  512   2HB   PRO  57           HB1      PRO  57  -6.066 -11.655 -11.655
  513   1HG   PRO  57           HG2      PRO  57  -8.950 -11.918 -11.918
  514   2HG   PRO  57           HG1      PRO  57  -7.659 -13.093 -13.093
  515   1HD   PRO  57           HD2      PRO  57  -8.811 -11.589 -11.589
  516   2HD   PRO  57           HD1      PRO  57  -7.300 -12.520 -12.520
  517    H    HIS  58            HN      HIS  58  -9.124  -9.920  -9.920
  518    HA   HIS  58            HA      HIS  58  -9.560  -7.035  -7.035
  519   1HB   HIS  58           HB2      HIS  58  -9.280  -8.325  -8.325
  520   2HB   HIS  58           HB1      HIS  58 -10.281  -6.891  -6.891
  521    HD1  HIS  58           HD1      HIS  58  -7.276  -7.335  -7.335
  522    HD2  HIS  58           HD2      HIS  58  -8.275  -5.225  -5.225
  523    HE1  HIS  58           HE1      HIS  58  -5.419  -5.652  -5.652
  524    HA   PRO  59            HA      PRO  59 -13.468  -9.329  -9.329
  525   1HB   PRO  59           HB2      PRO  59 -14.694  -7.484  -7.484
  526   2HB   PRO  59           HB1      PRO  59 -13.582  -8.731  -8.731
  527   1HG   PRO  59           HG2      PRO  59 -13.104  -5.802  -5.802
  528   2HG   PRO  59           HG1      PRO  59 -12.329  -6.941  -6.941
  529   1HD   PRO  59           HD2      PRO  59 -11.213  -5.975  -5.975
  530   2HD   PRO  59           HD1      PRO  59 -10.614  -7.353  -7.353
  531    H    GLU  60            HN      GLU  60 -12.945  -6.008  -6.008
  532    HA   GLU  60            HA      GLU  60 -15.539  -6.108  -6.108
  533   1HB   GLU  60           HB2      GLU  60 -14.197  -3.888  -3.888
  534   2HB   GLU  60           HB1      GLU  60 -15.156  -3.486  -3.486
  535   1HG   GLU  60           HG2      GLU  60 -16.622  -3.387  -3.387
  536   2HG   GLU  60           HG1      GLU  60 -17.048  -4.826  -4.826
  537    H    PHE  61            HN      PHE  61 -15.428  -4.588  -4.588
  538    HA   PHE  61            HA      PHE  61 -12.759  -4.207  -4.207
  539   1HB   PHE  61           HB2      PHE  61 -13.851  -6.696  -6.696
  540   2HB   PHE  61           HB1      PHE  61 -14.467  -5.845  -5.845
  541    HD1  PHE  61           HD1      PHE  61 -12.439  -4.039  -4.039
  542    HD2  PHE  61           HD2      PHE  61 -11.956  -7.941  -7.941
  543    HE1  PHE  61           HE1      PHE  61 -10.220  -4.246  -4.246
  544    HE2  PHE  61           HE2      PHE  61  -9.736  -8.148  -8.148
  545    HZ   PHE  61            HZ      PHE  61  -8.868  -6.300  -6.300
  546    H    ILE  62            HN      ILE  62 -14.996  -2.484  -2.484
  547    HA   ILE  62            HA      ILE  62 -15.349  -1.234  -1.234
  548    HB   ILE  62            HB      ILE  62 -17.834  -1.046  -1.046
  549   1HG1  ILE  62          HG12      ILE  62 -17.652  -3.340  -3.340
  550   2HG1  ILE  62          HG11      ILE  62 -17.478  -1.695  -1.695
  551   1HG2  ILE  62          HG21      ILE  62 -16.588  -2.871  -2.871
  552   2HG2  ILE  62          HG23      ILE  62 -17.037  -3.954  -3.954
  553   3HG2  ILE  62          HG22      ILE  62 -18.288  -3.142  -3.142
  554   1HD1  ILE  62          HD12      ILE  62 -19.772  -2.475  -2.475
  555   2HD1  ILE  62          HD11      ILE  62 -19.861  -2.672  -2.672
  556   3HD1  ILE  62          HD13      ILE  62 -19.639  -1.066  -1.066
  557    H    VAL  63            HN      VAL  63 -16.937   0.817   0.817
  558    HA   VAL  63            HA      VAL  63 -16.352   1.955   1.955
  559    HB   VAL  63            HB      VAL  63 -15.568   3.378   3.378
  560   1HG1  VAL  63          HG11      VAL  63 -15.105   4.023   4.023
  561   2HG1  VAL  63          HG13      VAL  63 -14.500   4.965   4.965
  562   3HG1  VAL  63          HG12      VAL  63 -16.235   4.854   4.854
  563   1HG2  VAL  63          HG22      VAL  63 -13.859   1.993   1.993
  564   2HG2  VAL  63          HG21      VAL  63 -14.065   1.482   1.482
  565   3HG2  VAL  63          HG23      VAL  63 -13.235   2.995   2.995
  566    H    THR  64            HN      THR  64 -17.878   3.510   3.510
  567    HA   THR  64            HA      THR  64 -20.118   3.935   3.935
  568    HB   THR  64            HB      THR  64 -21.366   4.483   4.483
  569    HG1  THR  64           HG1      THR  64 -20.405   3.824   3.824
  570   1HG2  THR  64          HG22      THR  64 -20.500   1.701   1.701
  571   2HG2  THR  64          HG21      THR  64 -21.801   2.024   2.024
  572   3HG2  THR  64          HG23      THR  64 -21.944   2.565   2.565
  573    H    ASP  65            HN      ASP  65 -18.898   5.790   5.790
  574    HA   ASP  65            HA      ASP  65 -18.447   8.089   8.089
  575   1HB   ASP  65           HB2      ASP  65 -17.099   7.325   7.325
  576   2HB   ASP  65           HB1      ASP  65 -18.312   8.309   8.309
  577   1H    SER   1           HT3      SER   1  -2.892 -17.250 -17.250
  578   2H    SER   1           HT2      SER   1  -1.713 -17.838 -17.838
  579   3H    SER   1           HT1      SER   1  -2.745 -16.574 -16.574
  580    HA   SER   1            HA      SER   1  -0.831 -15.427 -15.427
  581   1HB   SER   1           HB2      SER   1  -0.473 -17.688 -17.688
  582   2HB   SER   1           HB1      SER   1   0.186 -16.144 -16.144
  583    HG   SER   1            HG      SER   1   1.716 -17.248 -17.248
  584    HA   PRO   2            HA      PRO   2  -2.921 -12.744 -12.744
  585   1HB   PRO   2           HB2      PRO   2  -0.884 -11.188 -11.188
  586   2HB   PRO   2           HB1      PRO   2  -1.527 -11.022 -11.022
  587   1HG   PRO   2           HG2      PRO   2   1.053 -12.239 -12.239
  588   2HG   PRO   2           HG1      PRO   2   0.642 -11.496 -11.496
  589   1HD   PRO   2           HD2      PRO   2   0.780 -14.278 -14.278
  590   2HD   PRO   2           HD1      PRO   2   0.056 -13.520 -13.520
  591    H    LEU   3            HN      LEU   3  -3.634 -12.836 -12.836
  592    HA   LEU   3            HA      LEU   3  -1.768 -13.960 -13.960
  593   1HB   LEU   3           HB2      LEU   3  -3.760 -15.473 -15.473
  594   2HB   LEU   3           HB1      LEU   3  -4.616 -14.741 -14.741
  595    HG   LEU   3            HG      LEU   3  -1.943 -16.149 -16.149
  596   1HD1  LEU   3          HD12      LEU   3  -3.923 -17.612 -17.612
  597   2HD1  LEU   3          HD11      LEU   3  -4.652 -17.179 -17.179
  598   3HD1  LEU   3          HD13      LEU   3  -3.123 -18.057 -18.057
  599   1HD2  LEU   3          HD23      LEU   3  -3.957 -15.102 -15.102
  600   2HD2  LEU   3          HD22      LEU   3  -2.318 -14.505 -14.505
  601   3HD2  LEU   3          HD21      LEU   3  -2.574 -16.112 -16.112
  602    H    LEU   4            HN      LEU   4  -5.190 -12.861 -12.861
  603    HA   LEU   4            HA      LEU   4  -4.765 -11.394 -11.394
  604   1HB   LEU   4           HB2      LEU   4  -7.006 -12.452 -12.452
  605   2HB   LEU   4           HB1      LEU   4  -7.235 -10.705 -10.705
  606    HG   LEU   4            HG      LEU   4  -6.372 -11.917 -11.917
  607   1HD1  LEU   4          HD11      LEU   4  -8.984 -12.333 -12.333
  608   2HD1  LEU   4          HD13      LEU   4  -9.044 -11.898 -11.898
  609   3HD1  LEU   4          HD12      LEU   4  -8.168 -13.340 -13.340
  610   1HD2  LEU   4          HD21      LEU   4  -7.715  -9.458  -9.458
  611   2HD2  LEU   4          HD23      LEU   4  -6.550  -9.638  -9.638
  612   3HD2  LEU   4          HD22      LEU   4  -8.247 -10.044 -10.044
  613    HA   PRO   5            HA      PRO   5  -5.308  -7.562  -7.562
  614   1HB   PRO   5           HB2      PRO   5  -5.396  -7.881  -7.881
  615   2HB   PRO   5           HB1      PRO   5  -6.834  -7.875  -7.875
  616   1HG   PRO   5           HG2      PRO   5  -5.491 -10.190 -10.190
  617   2HG   PRO   5           HG1      PRO   5  -7.187 -10.002 -10.002
  618   1HD   PRO   5           HD2      PRO   5  -5.227 -11.484 -11.484
  619   2HD   PRO   5           HD1      PRO   5  -6.816 -11.003 -11.003
  620    H    LYS   6            HN      LYS   6  -3.010  -7.734  -7.734
  621    HA   LYS   6            HA      LYS   6  -1.118  -6.879  -6.879
  622   1HB   LYS   6           HB2      LYS   6  -1.222  -9.304  -9.304
  623   2HB   LYS   6           HB1      LYS   6  -0.642  -9.733  -9.733
  624   1HG   LYS   6           HG2      LYS   6   1.485  -9.016  -9.016
  625   2HG   LYS   6           HG1      LYS   6   0.938  -7.662  -7.662
  626   1HD   LYS   6           HD2      LYS   6   0.243  -9.480  -9.480
  627   2HD   LYS   6           HD1      LYS   6   1.309 -10.542 -10.542
  628   1HE   LYS   6           HE2      LYS   6   2.377  -7.863  -7.863
  629   2HE   LYS   6           HE1      LYS   6   2.213  -9.059  -9.059
  630   1HZ   LYS   6           HZ1      LYS   6   3.649  -9.471  -9.471
  631   2HZ   LYS   6           HZ3      LYS   6   4.381  -9.184  -9.184
  632   3HZ   LYS   6           HZ2      LYS   6   3.498 -10.614 -10.614
  633    H    LEU   7            HN      LEU   7  -0.452  -5.370  -5.370
  634    HA   LEU   7            HA      LEU   7   0.808  -6.493  -6.493
  635   1HB   LEU   7           HB2      LEU   7  -1.280  -4.473  -4.473
  636   2HB   LEU   7           HB1      LEU   7   0.123  -3.814  -3.814
  637    HG   LEU   7            HG      LEU   7  -1.411  -4.797  -4.797
  638   1HD1  LEU   7          HD11      LEU   7   1.250  -5.215  -5.215
  639   2HD1  LEU   7          HD13      LEU   7   0.703  -6.891  -6.891
  640   3HD1  LEU   7          HD12      LEU   7   0.217  -5.834  -5.834
  641   1HD2  LEU   7          HD23      LEU   7  -2.408  -6.422  -6.422
  642   2HD2  LEU   7          HD22      LEU   7  -2.077  -7.105  -7.105
  643   3HD2  LEU   7          HD21      LEU   7  -0.987  -7.436  -7.436
  644    HA   PRO   8            HA      PRO   8   3.882  -3.973  -3.973
  645   1HB   PRO   8           HB2      PRO   8   5.800  -5.928  -5.928
  646   2HB   PRO   8           HB1      PRO   8   4.510  -5.678  -5.678
  647   1HG   PRO   8           HG2      PRO   8   4.778  -7.835  -7.835
  648   2HG   PRO   8           HG1      PRO   8   3.921  -7.862  -7.862
  649   1HD   PRO   8           HD2      PRO   8   2.725  -7.535  -7.535
  650   2HD   PRO   8           HD1      PRO   8   1.947  -7.245  -7.245
  651    HA   PRO   9            HA      PRO   9   6.383  -3.287  -3.287
  652   1HB   PRO   9           HB2      PRO   9   8.750  -2.386  -2.386
  653   2HB   PRO   9           HB1      PRO   9   7.271  -1.409  -1.409
  654   1HG   PRO   9           HG2      PRO   9   8.516  -2.761  -2.761
  655   2HG   PRO   9           HG1      PRO   9   7.470  -1.331  -1.331
  656   1HD   PRO   9           HD2      PRO   9   6.660  -3.953  -3.953
  657   2HD   PRO   9           HD1      PRO   9   5.581  -2.592  -2.592
  658    H    LYS  10            HN      LYS  10   7.793  -5.276  -5.276
  659    HA   LYS  10            HA      LYS  10   9.335  -6.768  -6.768
  660   1HB   LYS  10           HB2      LYS  10  10.079  -6.453  -6.453
  661   2HB   LYS  10           HB1      LYS  10  11.029  -7.260  -7.260
  662   1HG   LYS  10           HG2      LYS  10  11.460  -5.210  -5.210
  663   2HG   LYS  10           HG1      LYS  10  10.231  -4.352  -4.352
  664   1HD   LYS  10           HD2      LYS  10  12.518  -5.652  -5.652
  665   2HD   LYS  10           HD1      LYS  10  12.770  -4.097  -4.097
  666   1HE   LYS  10           HE2      LYS  10  10.540  -3.437  -3.437
  667   2HE   LYS  10           HE1      LYS  10  10.972  -4.775  -4.775
  668   1HZ   LYS  10           HZ1      LYS  10  13.237  -3.690  -3.690
  669   2HZ   LYS  10           HZ3      LYS  10  12.519  -2.319  -2.319
  670   3HZ   LYS  10           HZ2      LYS  10  11.970  -2.893  -2.893
  671    H    THR  11            HN      THR  11   8.527  -8.792  -8.792
  672    HA   THR  11            HA      THR  11   6.477  -9.901  -9.901
  673    HB   THR  11            HB      THR  11   7.331 -12.108 -12.108
  674    HG1  THR  11           HG1      THR  11   8.570 -11.647 -11.647
  675   1HG2  THR  11          HG23      THR  11   5.994  -9.689  -9.689
  676   2HG2  THR  11          HG22      THR  11   6.255 -11.131 -11.131
  677   3HG2  THR  11          HG21      THR  11   5.276 -11.226 -11.226
  678    H    TYR  12            HN      TYR  12   9.574 -11.615 -11.615
  679    HA   TYR  12            HA      TYR  12  10.451 -11.503 -11.503
  680   1HB   TYR  12           HB2      TYR  12   8.154 -12.968 -12.968
  681   2HB   TYR  12           HB1      TYR  12   9.349 -14.232 -14.232
  682    HD1  TYR  12           HD1      TYR  12   8.441 -11.456 -11.456
  683    HD2  TYR  12           HD2      TYR  12  10.682 -15.077 -15.077
  684    HE1  TYR  12           HE1      TYR  12   8.994 -11.483 -11.483
  685    HE2  TYR  12           HE2      TYR  12  11.235 -15.104 -15.104
  686    HH   TYR  12            HH      TYR  12   9.685 -13.621 -13.621
  687    H    LYS  13            HN      LYS  13  11.566 -11.493 -11.493
  688    HA   LYS  13            HA      LYS  13  13.739 -13.373 -13.373
  689   1HB   LYS  13           HB2      LYS  13  11.521 -14.043 -14.043
  690   2HB   LYS  13           HB1      LYS  13  13.155 -14.281 -14.281
  691   1HG   LYS  13           HG2      LYS  13  13.127 -15.301 -15.301
  692   2HG   LYS  13           HG1      LYS  13  11.685 -15.922 -15.922
  693   1HD   LYS  13           HD2      LYS  13  13.333 -17.517 -17.517
  694   2HD   LYS  13           HD1      LYS  13  13.286 -16.483 -16.483
  695   1HE   LYS  13           HE2      LYS  13  15.239 -15.269 -15.269
  696   2HE   LYS  13           HE1      LYS  13  15.215 -16.058 -16.058
  697   1HZ   LYS  13           HZ3      LYS  13  15.541 -17.515 -17.515
  698   2HZ   LYS  13           HZ2      LYS  13  16.845 -16.998 -16.998
  699   3HZ   LYS  13           HZ1      LYS  13  15.737 -18.134 -18.134
  700    H    ARG  14            HN      ARG  14  14.771 -11.245 -11.245
  701    HA   ARG  14            HA      ARG  14  15.606 -10.603 -10.603
  702   1HB   ARG  14           HB2      ARG  14  13.374  -9.281  -9.281
  703   2HB   ARG  14           HB1      ARG  14  14.608  -8.202  -8.202
  704   1HG   ARG  14           HG2      ARG  14  14.597  -7.323  -7.323
  705   2HG   ARG  14           HG1      ARG  14  15.635  -8.698  -8.698
  706   1HD   ARG  14           HD2      ARG  14  14.087  -9.442  -9.442
  707   2HD   ARG  14           HD1      ARG  14  12.944  -9.632  -9.632
  708    HE   ARG  14            HE      ARG  14  12.613  -7.022  -7.022
  709   1HH1  ARG  14          HH11      ARG  14  14.054  -8.454  -8.454
  710   2HH1  ARG  14          HH12      ARG  14  12.746  -8.236  -8.236
  711   1HH2  ARG  14          HH21      ARG  14  10.490  -7.232  -7.232
  712   2HH2  ARG  14          HH22      ARG  14  10.728  -7.543  -7.543
  713    H    GLU  15            HN      GLU  15  15.527  -9.224  -9.224
  714    HA   GLU  15            HA      GLU  15  18.494  -9.277  -9.277
  715   1HB   GLU  15           HB2      GLU  15  17.576  -6.996  -6.996
  716   2HB   GLU  15           HB1      GLU  15  17.026  -6.782  -6.782
  717   1HG   GLU  15           HG2      GLU  15  19.859  -7.636  -7.636
  718   2HG   GLU  15           HG1      GLU  15  19.427  -5.942  -5.942

  Start of MODEL   24
    1   1H    GLY  -8           HT1      GLY  -8   8.568  -9.966  -9.966
    2   2H    GLY  -8           HT3      GLY  -8   9.634  -9.749  -9.749
    3   3H    GLY  -8           HT2      GLY  -8  10.094  -9.266  -9.266
    4   1HA   GLY  -8           HA1      GLY  -8   9.050  -7.345  -7.345
    5   2HA   GLY  -8           HA2      GLY  -8   8.927  -7.668  -7.668
    6    H    SER  -7            HN      SER  -7   7.126  -6.103  -6.103
    7    HA   SER  -7            HA      SER  -7   5.051  -6.923  -6.923
    8   1HB   SER  -7           HB2      SER  -7   6.198  -5.102  -5.102
    9   2HB   SER  -7           HB1      SER  -7   6.187  -4.139  -4.139
   10    HG   SER  -7            HG      SER  -7   4.181  -3.596  -3.596
   11    H    ARG  -6            HN      ARG  -6   2.915  -5.803  -5.803
   12    HA   ARG  -6            HA      ARG  -6   2.632  -5.576  -5.576
   13   1HB   ARG  -6           HB2      ARG  -6   0.711  -6.463  -6.463
   14   2HB   ARG  -6           HB1      ARG  -6   0.178  -6.078  -6.078
   15   1HG   ARG  -6           HG2      ARG  -6   1.620  -7.788  -7.788
   16   2HG   ARG  -6           HG1      ARG  -6   2.340  -8.102  -8.102
   17   1HD   ARG  -6           HD2      ARG  -6   0.251  -8.952  -8.952
   18   2HD   ARG  -6           HD1      ARG  -6  -0.609  -8.451  -8.451
   19    HE   ARG  -6            HE      ARG  -6   0.967 -10.148 -10.148
   20   1HH1  ARG  -6          HH11      ARG  -6   2.352 -11.132 -11.132
   21   2HH1  ARG  -6          HH12      ARG  -6   1.404 -12.507 -12.507
   22   1HH2  ARG  -6          HH21      ARG  -6  -1.332 -11.594 -11.594
   23   2HH2  ARG  -6          HH22      ARG  -6  -0.682 -12.769 -12.769
   24    H    ARG  -5            HN      ARG  -5   0.405  -4.233  -4.233
   25    HA   ARG  -5            HA      ARG  -5   0.797  -1.645  -1.645
   26   1HB   ARG  -5           HB2      ARG  -5  -0.344  -2.145  -2.145
   27   2HB   ARG  -5           HB1      ARG  -5  -0.103  -0.564  -0.564
   28   1HG   ARG  -5           HG2      ARG  -5   2.200  -0.659  -0.659
   29   2HG   ARG  -5           HG1      ARG  -5   2.236  -2.423  -2.423
   30   1HD   ARG  -5           HD2      ARG  -5   1.185  -2.473  -2.473
   31   2HD   ARG  -5           HD1      ARG  -5   1.268  -0.712  -0.712
   32    HE   ARG  -5            HE      ARG  -5   3.859  -1.902  -1.902
   33   1HH1  ARG  -5          HH21      ARG  -5   2.476   0.302   0.302
   34   2HH1  ARG  -5          HH22      ARG  -5   3.212  -0.200  -0.200
   35   1HH2  ARG  -5          HH11      ARG  -5   4.420  -3.180  -3.180
   36   2HH2  ARG  -5          HH12      ARG  -5   4.312  -2.172  -2.172
   37    H    ALA  -4            HN      ALA  -4  -0.688  -2.647  -2.647
   38    HA   ALA  -4            HA      ALA  -4  -3.541  -2.705  -2.705
   39   1HB   ALA  -4           HB2      ALA  -4  -2.707  -4.643  -4.643
   40   2HB   ALA  -4           HB1      ALA  -4  -2.275  -3.559  -3.559
   41   3HB   ALA  -4           HB3      ALA  -4  -3.967  -3.773  -3.773
   42    H    SER  -3            HN      SER  -3  -4.955  -1.886  -1.886
   43    HA   SER  -3            HA      SER  -3  -4.219   0.962   0.962
   44   1HB   SER  -3           HB2      SER  -3  -6.684  -0.373  -0.373
   45   2HB   SER  -3           HB1      SER  -3  -6.463   1.322   1.322
   46    HG   SER  -3            HG      SER  -3  -7.572  -0.333  -0.333
   47    H    VAL  -2            HN      VAL  -2  -4.594   1.965   1.965
   48    HA   VAL  -2            HA      VAL  -2  -2.932   0.563   0.563
   49    HB   VAL  -2            HB      VAL  -2  -4.594   3.067   3.067
   50   1HG1  VAL  -2          HG11      VAL  -2  -3.729   2.012   2.012
   51   2HG1  VAL  -2          HG13      VAL  -2  -2.103   2.014   2.014
   52   3HG1  VAL  -2          HG12      VAL  -2  -2.909   3.541   3.541
   53   1HG2  VAL  -2          HG22      VAL  -2  -1.863   2.618   2.618
   54   2HG2  VAL  -2          HG21      VAL  -2  -3.205   3.562   3.562
   55   3HG2  VAL  -2          HG23      VAL  -2  -2.295   4.159   4.159
   56    H    GLY  -1            HN      GLY  -1  -3.607  -0.264  -0.264
   57   1HA   GLY  -1           HA2      GLY  -1  -6.244  -0.157  -0.157
   58   2HA   GLY  -1           HA1      GLY  -1  -6.114  -1.612  -1.612
   59    H    SER   0            HN      SER   0  -5.630  -0.374  -0.374
   60    HA   SER   0            HA      SER   0  -3.413  -2.155  -2.155
   61   1HB   SER   0           HB2      SER   0  -5.118  -0.136  -0.136
   62   2HB   SER   0           HB1      SER   0  -4.232  -1.326  -1.326
   63    HG   SER   0            HG      SER   0  -3.214   0.553   0.553
   64    H    MET   1            HN      MET   1  -3.961  -3.395  -3.395
   65    HA   MET   1            HA      MET   1  -6.384  -5.042  -5.042
   66   1HB   MET   1           HB2      MET   1  -3.651  -5.720  -5.720
   67   2HB   MET   1           HB1      MET   1  -5.013  -6.664  -6.664
   68   1HG   MET   1           HG2      MET   1  -5.590  -7.462  -7.462
   69   2HG   MET   1           HG1      MET   1  -4.761  -6.153  -6.153
   70   1HE   MET   1           HE3      MET   1  -4.027  -8.173  -8.173
   71   2HE   MET   1           HE2      MET   1  -2.964  -9.486  -9.486
   72   3HE   MET   1           HE1      MET   1  -4.623  -9.435  -9.435
   73    H    GLU   2            HN      GLU   2  -6.854  -6.309  -6.309
   74    HA   GLU   2            HA      GLU   2  -6.986  -4.207  -4.207
   75   1HB   GLU   2           HB2      GLU   2  -9.127  -5.208  -5.208
   76   2HB   GLU   2           HB1      GLU   2  -9.250  -6.020  -6.020
   77   1HG   GLU   2           HG2      GLU   2  -9.526  -4.015  -4.015
   78   2HG   GLU   2           HG1      GLU   2  -8.769  -3.058  -3.058
   79    H    ALA   3            HN      ALA   3  -7.782  -5.442  -5.442
   80    HA   ALA   3            HA      ALA   3  -6.853  -8.195  -8.195
   81   1HB   ALA   3           HB1      ALA   3  -5.444  -5.910  -5.910
   82   2HB   ALA   3           HB3      ALA   3  -5.289  -7.575  -7.575
   83   3HB   ALA   3           HB2      ALA   3  -4.770  -7.131  -7.131
   84    H    ILE   4            HN      ILE   4  -8.399  -9.097  -9.097
   85    HA   ILE   4            HA      ILE   4 -10.399  -7.801  -7.801
   86    HB   ILE   4            HB      ILE   4 -10.704 -10.001 -10.001
   87   1HG1  ILE   4          HG12      ILE   4 -10.944 -10.810 -10.810
   88   2HG1  ILE   4          HG11      ILE   4 -11.534  -9.169  -9.169
   89   1HG2  ILE   4          HG23      ILE   4  -8.328 -10.729 -10.729
   90   2HG2  ILE   4          HG22      ILE   4  -8.879 -11.067 -11.067
   91   3HG2  ILE   4          HG21      ILE   4  -9.581 -11.935 -11.935
   92   1HD1  ILE   4          HD11      ILE   4 -12.297 -11.447 -11.447
   93   2HD1  ILE   4          HD13      ILE   4 -13.196 -11.072 -11.072
   94   3HD1  ILE   4          HD12      ILE   4 -13.075  -9.876  -9.876
   95    H    ALA   5            HN      ALA   5 -10.420  -6.895  -6.895
   96    HA   ALA   5            HA      ALA   5  -8.236  -7.246  -7.246
   97   1HB   ALA   5           HB2      ALA   5 -10.881  -5.760  -5.760
   98   2HB   ALA   5           HB1      ALA   5  -9.805  -5.870  -5.870
   99   3HB   ALA   5           HB3      ALA   5  -9.257  -5.072  -5.072
  100    H    LYS   6            HN      LYS   6  -8.273  -9.371  -9.371
  101    HA   LYS   6            HA      LYS   6 -10.500 -11.019 -11.019
  102   1HB   LYS   6           HB2      LYS   6  -7.844 -11.037 -11.037
  103   2HB   LYS   6           HB1      LYS   6  -8.988 -12.375 -12.375
  104   1HG   LYS   6           HG2      LYS   6  -8.577 -12.768 -12.768
  105   2HG   LYS   6           HG1      LYS   6  -7.939 -11.149 -11.149
  106   1HD   LYS   6           HD2      LYS   6  -6.048 -12.605 -12.605
  107   2HD   LYS   6           HD1      LYS   6  -6.010 -11.787 -11.787
  108   1HE   LYS   6           HE2      LYS   6  -7.244 -13.766 -13.766
  109   2HE   LYS   6           HE1      LYS   6  -7.038 -14.582 -14.582
  110   1HZ   LYS   6           HZ3      LYS   6  -4.778 -13.482 -13.482
  111   2HZ   LYS   6           HZ2      LYS   6  -5.307 -15.092 -15.092
  112   3HZ   LYS   6           HZ1      LYS   6  -4.698 -14.511 -14.511
  113    H    TYR   7            HN      TYR   7  -9.093  -8.512  -8.512
  114    HA   TYR   7            HA      TYR   7 -11.370  -8.850  -8.850
  115   1HB   TYR   7           HB2      TYR   7  -8.542  -8.544  -8.544
  116   2HB   TYR   7           HB1      TYR   7  -9.998  -8.866  -8.866
  117    HD1  TYR   7           HD2      TYR   7  -7.735 -10.287 -10.287
  118    HD2  TYR   7           HD1      TYR   7 -10.751 -11.091 -11.091
  119    HE1  TYR   7           HE2      TYR   7  -7.324 -12.711 -12.711
  120    HE2  TYR   7           HE1      TYR   7 -10.349 -13.528 -13.528
  121    HH   TYR   7            HH      TYR   7  -9.408 -15.046 -15.046
  122    H    ASP   8            HN      ASP   8 -10.875  -7.048  -7.048
  123    HA   ASP   8            HA      ASP   8 -10.891  -4.544  -4.544
  124   1HB   ASP   8           HB2      ASP   8 -12.005  -3.621  -3.621
  125   2HB   ASP   8           HB1      ASP   8 -12.702  -5.219  -5.219
  126    H    PHE   9            HN      PHE   9  -9.791  -2.638  -2.638
  127    HA   PHE   9            HA      PHE   9  -7.668  -2.843  -2.843
  128   1HB   PHE   9           HB2      PHE   9  -7.009  -4.103  -4.103
  129   2HB   PHE   9           HB1      PHE   9  -6.209  -2.536  -2.536
  130    HD1  PHE   9           HD2      PHE   9  -6.942  -4.778  -4.778
  131    HD2  PHE   9           HD1      PHE   9  -3.943  -2.889  -2.889
  132    HE1  PHE   9           HE2      PHE   9  -5.177  -5.615  -5.615
  133    HE2  PHE   9           HE1      PHE   9  -2.178  -3.723  -3.723
  134    HZ   PHE   9            HZ      PHE   9  -2.795  -5.087  -5.087
  135    H    LYS  10            HN      LYS  10  -6.011  -0.911  -0.911
  136    HA   LYS  10            HA      LYS  10  -7.441   1.307   1.307
  137   1HB   LYS  10           HB2      LYS  10  -6.952   1.069   1.069
  138   2HB   LYS  10           HB1      LYS  10  -6.490   2.618   2.618
  139   1HG   LYS  10           HG2      LYS  10  -8.689   3.131   3.131
  140   2HG   LYS  10           HG1      LYS  10  -8.905   2.239   2.239
  141   1HD   LYS  10           HD2      LYS  10 -10.482   1.398   1.398
  142   2HD   LYS  10           HD1      LYS  10  -9.277   0.157   0.157
  143   1HE   LYS  10           HE2      LYS  10  -8.188   0.456   0.456
  144   2HE   LYS  10           HE1      LYS  10  -8.802   2.096   2.096
  145   1HZ   LYS  10           HZ3      LYS  10 -11.075   0.997   0.997
  146   2HZ   LYS  10           HZ2      LYS  10 -10.236  -0.461  -0.461
  147   3HZ   LYS  10           HZ1      LYS  10 -10.049   0.819   0.819
  148    H    ALA  11            HN      ALA  11  -6.098   3.209   3.209
  149    HA   ALA  11            HA      ALA  11  -3.538   2.426   2.426
  150   1HB   ALA  11           HB3      ALA  11  -5.068   4.379   4.379
  151   2HB   ALA  11           HB2      ALA  11  -4.280   5.284   5.284
  152   3HB   ALA  11           HB1      ALA  11  -3.318   4.610   4.610
  153    H    THR  12            HN      THR  12  -1.638   2.385   2.385
  154    HA   THR  12            HA      THR  12  -1.640   3.573   3.573
  155    HB   THR  12            HB      THR  12   0.048   1.937   1.937
  156    HG1  THR  12           HG1      THR  12   1.056   0.740   0.740
  157   1HG2  THR  12          HG23      THR  12  -2.502   1.308   1.308
  158   2HG2  THR  12          HG22      THR  12  -1.813   0.282   0.282
  159   3HG2  THR  12          HG21      THR  12  -1.319   0.067   0.067
  160    H    ALA  13            HN      ALA  13  -1.202   5.263   5.263
  161    HA   ALA  13            HA      ALA  13   1.122   6.689   6.689
  162   1HB   ALA  13           HB1      ALA  13   1.623   4.483   4.483
  163   2HB   ALA  13           HB3      ALA  13   2.292   6.061   6.061
  164   3HB   ALA  13           HB2      ALA  13   2.743   5.296   5.296
  165    H    ASP  14            HN      ASP  14   1.627   8.343   8.343
  166    HA   ASP  14            HA      ASP  14  -0.718   9.525   9.525
  167   1HB   ASP  14           HB2      ASP  14   1.577  10.460  10.460
  168   2HB   ASP  14           HB1      ASP  14   2.039  10.222  10.222
  169    H    ASP  15            HN      ASP  15   1.673   7.345   7.345
  170    HA   ASP  15            HA      ASP  15   0.563   7.652   7.652
  171   1HB   ASP  15           HB2      ASP  15   2.641   6.805   6.805
  172   2HB   ASP  15           HB1      ASP  15   3.012   8.032   8.032
  173    H    GLU  16            HN      GLU  16  -0.664   6.003   6.003
  174    HA   GLU  16            HA      GLU  16  -0.394   3.314   3.314
  175   1HB   GLU  16           HB2      GLU  16   0.117   3.753   3.753
  176   2HB   GLU  16           HB1      GLU  16  -1.634   3.728   3.728
  177   1HG   GLU  16           HG2      GLU  16  -1.791   1.510   1.510
  178   2HG   GLU  16           HG1      GLU  16  -0.470   1.552   1.552
  179    H    LEU  17            HN      LEU  17  -2.610   2.042   2.042
  180    HA   LEU  17            HA      LEU  17  -4.797   3.878   3.878
  181   1HB   LEU  17           HB2      LEU  17  -3.560   2.012   2.012
  182   2HB   LEU  17           HB1      LEU  17  -4.943   1.108   1.108
  183    HG   LEU  17            HG      LEU  17  -5.096   3.816   3.816
  184   1HD1  LEU  17          HD11      LEU  17  -5.224   1.000   1.000
  185   2HD1  LEU  17          HD13      LEU  17  -6.420   2.121   2.121
  186   3HD1  LEU  17          HD12      LEU  17  -4.701   2.460   2.460
  187   1HD2  LEU  17          HD22      LEU  17  -7.123   1.924   1.924
  188   2HD2  LEU  17          HD21      LEU  17  -6.975   3.666   3.666
  189   3HD2  LEU  17          HD23      LEU  17  -7.580   3.028   3.028
  190    H    SER  18            HN      SER  18  -6.707   3.717   3.717
  191    HA   SER  18            HA      SER  18  -7.046   1.708   1.708
  192   1HB   SER  18           HB2      SER  18  -9.040   3.163   3.163
  193   2HB   SER  18           HB1      SER  18  -7.529   3.994   3.994
  194    HG   SER  18            HG      SER  18  -9.193   5.058   5.058
  195    H    PHE  19            HN      PHE  19  -8.993   0.347   0.347
  196    HA   PHE  19            HA      PHE  19 -10.913   0.378   0.378
  197   1HB   PHE  19           HB2      PHE  19 -10.220  -1.729  -1.729
  198   2HB   PHE  19           HB1      PHE  19  -9.041  -0.435  -0.435
  199    HD1  PHE  19           HD1      PHE  19  -9.773  -3.584  -3.584
  200    HD2  PHE  19           HD2      PHE  19  -6.841  -0.547  -0.547
  201    HE1  PHE  19           HE1      PHE  19  -8.017  -5.014  -5.014
  202    HE2  PHE  19           HE2      PHE  19  -5.085  -1.978  -1.978
  203    HZ   PHE  19            HZ      PHE  19  -5.674  -4.211  -4.211
  204    H    LYS  20            HN      LYS  20 -12.179  -1.811  -1.811
  205    HA   LYS  20            HA      LYS  20 -12.217  -2.856  -2.856
  206   1HB   LYS  20           HB2      LYS  20 -14.569  -2.428  -2.428
  207   2HB   LYS  20           HB1      LYS  20 -14.643  -2.991  -2.991
  208   1HG   LYS  20           HG2      LYS  20 -13.238  -0.425  -0.425
  209   2HG   LYS  20           HG1      LYS  20 -14.994  -0.430  -0.430
  210   1HD   LYS  20           HD2      LYS  20 -13.908  -1.850  -1.850
  211   2HD   LYS  20           HD1      LYS  20 -13.532  -0.128  -0.128
  212   1HE   LYS  20           HE2      LYS  20 -15.657  -0.464  -0.464
  213   2HE   LYS  20           HE1      LYS  20 -15.949   0.363   0.363
  214   1HZ   LYS  20           HZ1      LYS  20 -16.322  -1.956  -1.956
  215   2HZ   LYS  20           HZ3      LYS  20 -16.437  -2.472  -2.472
  216   3HZ   LYS  20           HZ2      LYS  20 -17.533  -1.323  -1.323
  217    H    ARG  21            HN      ARG  21 -13.666  -4.942  -4.942
  218    HA   ARG  21            HA      ARG  21 -12.330  -6.867  -6.867
  219   1HB   ARG  21           HB2      ARG  21 -13.010  -7.428  -7.428
  220   2HB   ARG  21           HB1      ARG  21 -14.690  -7.052  -7.052
  221   1HG   ARG  21           HG2      ARG  21 -14.691  -8.896  -8.896
  222   2HG   ARG  21           HG1      ARG  21 -13.041  -9.310  -9.310
  223   1HD   ARG  21           HD2      ARG  21 -13.835 -10.471 -10.471
  224   2HD   ARG  21           HD1      ARG  21 -14.653  -9.023  -9.023
  225    HE   ARG  21            HE      ARG  21 -16.655 -10.004 -10.004
  226   1HH1  ARG  21          HH11      ARG  21 -16.335  -9.793  -9.793
  227   2HH1  ARG  21          HH12      ARG  21 -16.256 -11.435 -11.435
  228   1HH2  ARG  21          HH21      ARG  21 -15.538 -12.718 -12.718
  229   2HH2  ARG  21          HH22      ARG  21 -15.802 -13.091 -13.091
  230    H    GLY  22            HN      GLY  22 -12.859  -6.958  -6.958
  231   1HA   GLY  22           HA2      GLY  22 -14.550  -7.766  -7.766
  232   2HA   GLY  22           HA1      GLY  22 -15.755  -6.836  -6.836
  233    H    ASP  23            HN      ASP  23 -12.972  -4.981  -4.981
  234    HA   ASP  23            HA      ASP  23 -13.970  -3.414  -3.414
  235   1HB   ASP  23           HB2      ASP  23 -13.088  -2.722  -2.722
  236   2HB   ASP  23           HB1      ASP  23 -11.782  -2.233  -2.233
  237    H    ILE  24            HN      ILE  24 -13.034  -4.209  -4.209
  238    HA   ILE  24            HA      ILE  24 -10.323  -5.261  -5.261
  239    HB   ILE  24            HB      ILE  24 -11.908  -4.581  -4.581
  240   1HG1  ILE  24          HG12      ILE  24 -12.187  -6.929  -6.929
  241   2HG1  ILE  24          HG11      ILE  24 -13.458  -5.841  -5.841
  242   1HG2  ILE  24          HG21      ILE  24  -9.386  -5.481  -5.481
  243   2HG2  ILE  24          HG23      ILE  24 -10.233  -7.020  -7.020
  244   3HG2  ILE  24          HG22      ILE  24 -10.400  -5.974  -5.974
  245   1HD1  ILE  24          HD11      ILE  24 -12.608  -6.831  -6.831
  246   2HD1  ILE  24          HD13      ILE  24 -12.295  -8.210  -8.210
  247   3HD1  ILE  24          HD12      ILE  24 -13.922  -7.539  -7.539
  248    H    LEU  25            HN      LEU  25  -8.487  -4.213  -4.213
  249    HA   LEU  25            HA      LEU  25  -8.592  -1.286  -1.286
  250   1HB   LEU  25           HB2      LEU  25  -6.095  -2.981  -2.981
  251   2HB   LEU  25           HB1      LEU  25  -6.274  -1.266  -1.266
  252    HG   LEU  25            HG      LEU  25  -6.292  -2.191  -2.191
  253   1HD1  LEU  25          HD12      LEU  25  -8.609  -1.061  -1.061
  254   2HD1  LEU  25          HD11      LEU  25  -9.208  -2.586  -2.586
  255   3HD1  LEU  25          HD13      LEU  25  -8.289  -1.510  -1.510
  256   1HD2  LEU  25          HD22      LEU  25  -6.677  -4.585  -4.585
  257   2HD2  LEU  25          HD21      LEU  25  -6.817  -4.350  -4.350
  258   3HD2  LEU  25          HD23      LEU  25  -8.267  -4.364  -4.364
  259    H    LYS  26            HN      LYS  26  -7.095  -0.201  -0.201
  260    HA   LYS  26            HA      LYS  26  -7.078  -1.757  -1.757
  261   1HB   LYS  26           HB2      LYS  26  -8.036   0.707   0.707
  262   2HB   LYS  26           HB1      LYS  26  -6.346   1.147   1.147
  263   1HG   LYS  26           HG2      LYS  26  -6.314   0.362   0.362
  264   2HG   LYS  26           HG1      LYS  26  -7.660  -0.744  -0.744
  265   1HD   LYS  26           HD2      LYS  26  -8.911   1.599   1.599
  266   2HD   LYS  26           HD1      LYS  26  -7.696   2.154   2.154
  267   1HE   LYS  26           HE2      LYS  26  -9.625  -0.143  -0.143
  268   2HE   LYS  26           HE1      LYS  26  -9.760   1.461   1.461
  269   1HZ   LYS  26           HZ1      LYS  26  -7.594   1.113   1.113
  270   2HZ   LYS  26           HZ3      LYS  26  -7.523  -0.451  -0.451
  271   3HZ   LYS  26           HZ2      LYS  26  -8.722  -0.060  -0.060
  272    H    VAL  27            HN      VAL  27  -5.119  -2.920  -2.920
  273    HA   VAL  27            HA      VAL  27  -2.783  -2.077  -2.077
  274    HB   VAL  27            HB      VAL  27  -3.375  -4.405  -4.405
  275   1HG1  VAL  27          HG12      VAL  27  -3.509  -3.588  -3.588
  276   2HG1  VAL  27          HG11      VAL  27  -1.776  -3.264  -3.264
  277   3HG1  VAL  27          HG13      VAL  27  -2.370  -4.918  -4.918
  278   1HG2  VAL  27          HG23      VAL  27  -0.574  -3.242  -3.242
  279   2HG2  VAL  27          HG22      VAL  27  -1.377  -4.028  -4.028
  280   3HG2  VAL  27          HG21      VAL  27  -0.926  -4.970  -4.970
  281    H    LEU  28            HN      LEU  28  -1.763  -0.285  -0.285
  282    HA   LEU  28            HA      LEU  28  -1.723   1.195   1.195
  283   1HB   LEU  28           HB2      LEU  28  -1.157   1.708   1.708
  284   2HB   LEU  28           HB1      LEU  28  -0.087   2.562   2.562
  285    HG   LEU  28            HG      LEU  28  -1.942   3.651   3.651
  286   1HD1  LEU  28          HD11      LEU  28  -3.503   1.669   1.669
  287   2HD1  LEU  28          HD13      LEU  28  -3.803   2.042   2.042
  288   3HD1  LEU  28          HD12      LEU  28  -4.272   3.189   3.189
  289   1HD2  LEU  28          HD22      LEU  28  -2.301   3.605   3.605
  290   2HD2  LEU  28          HD21      LEU  28  -1.211   4.654   4.654
  291   3HD2  LEU  28          HD23      LEU  28  -2.953   4.846   4.846
  292    H    ASN  29            HN      ASN  29   0.733  -0.128  -0.128
  293    HA   ASN  29            HA      ASN  29   2.474  -0.753  -0.753
  294   1HB   ASN  29           HB2      ASN  29   2.648   1.803   1.803
  295   2HB   ASN  29           HB1      ASN  29   3.772   1.094   1.094
  296   1HD2  ASN  29          HD22      ASN  29   4.701   0.903   0.903
  297   2HD2  ASN  29          HD21      ASN  29   3.079   1.093   1.093
  298    H    GLU  30            HN      GLU  30   4.630  -1.562  -1.562
  299    HA   GLU  30            HA      GLU  30   4.336  -3.262  -3.262
  300   1HB   GLU  30           HB2      GLU  30   5.109  -3.911  -3.911
  301   2HB   GLU  30           HB1      GLU  30   6.674  -3.576  -3.576
  302   1HG   GLU  30           HG2      GLU  30   6.500  -5.770  -5.770
  303   2HG   GLU  30           HG1      GLU  30   5.568  -5.062  -5.062
  304    H    GLU  31            HN      GLU  31   7.062  -3.686  -3.686
  305    HA   GLU  31            HA      GLU  31   9.035  -2.741  -2.741
  306   1HB   GLU  31           HB2      GLU  31   7.870   0.033   0.033
  307   2HB   GLU  31           HB1      GLU  31   9.564  -0.439  -0.439
  308   1HG   GLU  31           HG2      GLU  31   9.000  -1.786  -1.786
  309   2HG   GLU  31           HG1      GLU  31   7.709  -0.593  -0.593
  310    H    CYS  32            HN      CYS  32   9.373  -0.925  -0.925
  311    HA   CYS  32            HA      CYS  32   8.855  -0.395  -0.395
  312   1HB   CYS  32           HB2      CYS  32   5.999  -1.225  -1.225
  313   2HB   CYS  32           HB1      CYS  32   6.567  -0.152  -0.152
  314    HG   CYS  32            HG      CYS  32   6.436   1.732   1.732
  315    H    ASP  33            HN      ASP  33   7.190  -1.729  -1.729
  316    HA   ASP  33            HA      ASP  33   8.578  -3.830  -3.830
  317   1HB   ASP  33           HB2      ASP  33   6.290  -2.735  -2.735
  318   2HB   ASP  33           HB1      ASP  33   5.639  -4.191  -4.191
  319    H    GLN  34            HN      GLN  34   8.339  -6.133  -6.133
  320    HA   GLN  34            HA      GLN  34   7.904  -7.090  -7.090
  321   1HB   GLN  34           HB2      GLN  34   9.885  -7.676  -7.676
  322   2HB   GLN  34           HB1      GLN  34   8.753  -8.908  -8.908
  323   1HG   GLN  34           HG2      GLN  34   8.482  -9.305  -9.305
  324   2HG   GLN  34           HG1      GLN  34  10.118  -8.645  -8.645
  325   1HE2  GLN  34          HE22      GLN  34   9.518 -12.109 -12.109
  326   2HE2  GLN  34          HE21      GLN  34   8.276 -10.953 -10.953
  327    H    ASN  35            HN      ASN  35   5.713  -6.453  -6.453
  328    HA   ASN  35            HA      ASN  35   4.097  -8.822  -8.822
  329   1HB   ASN  35           HB2      ASN  35   4.921  -7.992  -7.992
  330   2HB   ASN  35           HB1      ASN  35   3.287  -8.609  -8.609
  331   1HD2  ASN  35          HD22      ASN  35   6.360 -11.202 -11.202
  332   2HD2  ASN  35          HD21      ASN  35   6.538  -9.565  -9.565
  333    H    TRP  36            HN      TRP  36   4.222  -5.599  -5.599
  334    HA   TRP  36            HA      TRP  36   1.261  -5.369  -5.369
  335   1HB   TRP  36           HB2      TRP  36   3.150  -3.072  -3.072
  336   2HB   TRP  36           HB1      TRP  36   1.399  -3.092  -3.092
  337    HD1  TRP  36           HD1      TRP  36   4.207  -5.502  -5.502
  338    HE1  TRP  36           HE1      TRP  36   3.916  -5.766  -5.766
  339    HE3  TRP  36           HE3      TRP  36   0.152  -2.407  -2.407
  340    HZ2  TRP  36           HZ2      TRP  36   2.293  -4.810  -4.810
  341    HZ3  TRP  36           HZ3      TRP  36  -0.674  -2.098  -2.098
  342    HH2  TRP  36           HH2      TRP  36   0.376  -3.301  -3.301
  343    H    TYR  37            HN      TYR  37   0.267  -4.411  -4.411
  344    HA   TYR  37            HA      TYR  37   2.005  -3.728  -3.728
  345   1HB   TYR  37           HB2      TYR  37  -1.003  -4.083  -4.083
  346   2HB   TYR  37           HB1      TYR  37  -0.089  -3.775  -3.775
  347    HD1  TYR  37           HD2      TYR  37   2.210  -5.601  -5.601
  348    HD2  TYR  37           HD1      TYR  37  -1.923  -6.161  -6.161
  349    HE1  TYR  37           HE2      TYR  37   2.445  -8.043  -8.043
  350    HE2  TYR  37           HE1      TYR  37  -1.707  -8.587  -8.587
  351    HH   TYR  37            HH      TYR  37  -0.124 -10.095 -10.095
  352    H    LYS  38            HN      LYS  38   1.891  -1.672  -1.672
  353    HA   LYS  38            HA      LYS  38   0.673   0.537   0.537
  354   1HB   LYS  38           HB2      LYS  38   2.730   0.876   0.876
  355   2HB   LYS  38           HB1      LYS  38   1.787   0.489   0.489
  356   1HG   LYS  38           HG2      LYS  38   0.183   2.362   2.362
  357   2HG   LYS  38           HG1      LYS  38   1.542   2.872   2.872
  358   1HD   LYS  38           HD2      LYS  38   2.333   2.297   2.297
  359   2HD   LYS  38           HD1      LYS  38   1.122   3.575   3.575
  360   1HE   LYS  38           HE2      LYS  38   2.682   4.420   4.420
  361   2HE   LYS  38           HE1      LYS  38   3.908   3.515   3.515
  362   1HZ   LYS  38           HZ2      LYS  38   3.222   4.756   4.756
  363   2HZ   LYS  38           HZ1      LYS  38   2.197   5.704   5.704
  364   3HZ   LYS  38           HZ3      LYS  38   3.873   5.752   5.752
  365    H    ALA  39            HN      ALA  39  -1.346   1.603   1.603
  366    HA   ALA  39            HA      ALA  39  -2.757   0.782   0.782
  367   1HB   ALA  39           HB2      ALA  39  -3.578  -0.601  -0.601
  368   2HB   ALA  39           HB1      ALA  39  -4.512  -0.630  -0.630
  369   3HB   ALA  39           HB3      ALA  39  -2.912  -1.381  -1.381
  370    H    GLU  40            HN      GLU  40  -5.282   1.049   1.049
  371    HA   GLU  40            HA      GLU  40  -5.691   3.312   3.312
  372   1HB   GLU  40           HB2      GLU  40  -5.341   4.960   4.960
  373   2HB   GLU  40           HB1      GLU  40  -4.575   3.749   3.749
  374   1HG   GLU  40           HG2      GLU  40  -6.690   3.389   3.389
  375   2HG   GLU  40           HG1      GLU  40  -7.523   4.506   4.506
  376    H    LEU  41            HN      LEU  41  -7.659   3.645   3.645
  377    HA   LEU  41            HA      LEU  41  -9.801   1.986   1.986
  378   1HB   LEU  41           HB2      LEU  41  -9.309   3.022   3.022
  379   2HB   LEU  41           HB1      LEU  41 -10.993   2.855   2.855
  380    HG   LEU  41            HG      LEU  41  -9.037   0.668   0.668
  381   1HD1  LEU  41          HD13      LEU  41 -10.257   1.526   1.526
  382   2HD1  LEU  41          HD12      LEU  41 -10.295  -0.201  -0.201
  383   3HD1  LEU  41          HD11      LEU  41  -8.752   0.652   0.652
  384   1HD2  LEU  41          HD23      LEU  41 -11.308   0.790   0.790
  385   2HD2  LEU  41          HD22      LEU  41 -11.054  -0.655  -0.655
  386   3HD2  LEU  41          HD21      LEU  41 -12.009   0.685   0.685
  387    H    ASN  42            HN      ASN  42 -10.455   3.062   3.062
  388    HA   ASN  42            HA      ASN  42 -11.455   4.791   4.791
  389   1HB   ASN  42           HB2      ASN  42 -13.003   4.198   4.198
  390   2HB   ASN  42           HB1      ASN  42 -13.521   5.581   5.581
  391   1HD2  ASN  42          HD22      ASN  42 -13.570   1.877   1.877
  392   2HD2  ASN  42          HD21      ASN  42 -12.390   2.205   2.205
  393    H    GLY  43            HN      GLY  43  -9.356   5.936   5.936
  394   1HA   GLY  43           HA2      GLY  43  -9.329   8.590   8.590
  395   2HA   GLY  43           HA1      GLY  43 -10.506   8.526   8.526
  396    H    LYS  44            HN      LYS  44  -9.358   6.559   6.559
  397    HA   LYS  44            HA      LYS  44  -7.159   8.018   8.018
  398   1HB   LYS  44           HB2      LYS  44  -8.842   5.697   5.697
  399   2HB   LYS  44           HB1      LYS  44  -7.232   5.870   5.870
  400   1HG   LYS  44           HG2      LYS  44  -7.711   7.980   7.980
  401   2HG   LYS  44           HG1      LYS  44  -9.156   8.177   8.177
  402   1HD   LYS  44           HD2      LYS  44  -8.820   6.115   6.115
  403   2HD   LYS  44           HD1      LYS  44  -9.749   7.607   7.607
  404   1HE   LYS  44           HE2      LYS  44 -10.645   6.283   6.283
  405   2HE   LYS  44           HE1      LYS  44 -10.584   5.075   5.075
  406   1HZ   LYS  44           HZ3      LYS  44 -11.914   7.722   7.722
  407   2HZ   LYS  44           HZ2      LYS  44 -12.712   6.250   6.250
  408   3HZ   LYS  44           HZ1      LYS  44 -11.905   6.508   6.508
  409    H    ASP  45            HN      ASP  45  -5.261   6.695   6.695
  410    HA   ASP  45            HA      ASP  45  -4.651   4.521   4.521
  411   1HB   ASP  45           HB2      ASP  45  -3.312   5.554   5.554
  412   2HB   ASP  45           HB1      ASP  45  -4.465   6.831   6.831
  413    H    GLY  46            HN      GLY  46  -2.089   4.172   4.172
  414   1HA   GLY  46           HA2      GLY  46  -0.132   4.489   4.489
  415   2HA   GLY  46           HA1      GLY  46  -1.255   4.472   4.472
  416    H    PHE  47            HN      PHE  47   0.640   2.763   2.763
  417    HA   PHE  47            HA      PHE  47   0.455   0.209   0.209
  418   1HB   PHE  47           HB2      PHE  47   1.528   0.668   0.668
  419   2HB   PHE  47           HB1      PHE  47   2.026  -0.545  -0.545
  420    HD1  PHE  47           HD1      PHE  47   2.287   1.096   1.096
  421    HD2  PHE  47           HD2      PHE  47   3.460   1.946   1.946
  422    HE1  PHE  47           HE1      PHE  47   4.028   2.654   2.654
  423    HE2  PHE  47           HE2      PHE  47   5.200   3.502   3.502
  424    HZ   PHE  47            HZ      PHE  47   5.485   3.857   3.857
  425    H    ILE  48            HN      ILE  48  -0.251  -1.805  -1.805
  426    HA   ILE  48            HA      ILE  48  -2.116  -1.638  -1.638
  427    HB   ILE  48            HB      ILE  48  -3.778  -3.058  -3.058
  428   1HG1  ILE  48          HG12      ILE  48  -2.247  -2.149  -2.149
  429   2HG1  ILE  48          HG11      ILE  48  -2.067  -3.757  -3.757
  430   1HG2  ILE  48          HG23      ILE  48  -3.892  -0.523  -0.523
  431   2HG2  ILE  48          HG22      ILE  48  -3.283  -0.423  -0.423
  432   3HG2  ILE  48          HG21      ILE  48  -4.828  -1.208  -1.208
  433   1HD1  ILE  48          HD11      ILE  48  -4.796  -3.536  -3.536
  434   2HD1  ILE  48          HD13      ILE  48  -4.291  -2.620  -2.620
  435   3HD1  ILE  48          HD12      ILE  48  -3.791  -4.299  -4.299
  436    HA   PRO  49            HA      PRO  49   0.203  -5.341  -5.341
  437   1HB   PRO  49           HB2      PRO  49  -1.370  -6.439  -6.439
  438   2HB   PRO  49           HB1      PRO  49  -0.178  -5.152  -5.152
  439   1HG   PRO  49           HG2      PRO  49  -3.172  -4.957  -4.957
  440   2HG   PRO  49           HG1      PRO  49  -2.034  -3.934  -3.934
  441   1HD   PRO  49           HD2      PRO  49  -3.206  -3.221  -3.221
  442   2HD   PRO  49           HD1      PRO  49  -1.771  -2.481  -2.481
  443    H    LYS  50            HN      LYS  50   0.052  -6.665  -6.665
  444    HA   LYS  50            HA      LYS  50  -2.123  -7.782  -7.782
  445   1HB   LYS  50           HB2      LYS  50   0.193  -7.730  -7.730
  446   2HB   LYS  50           HB1      LYS  50   0.651  -8.892  -8.892
  447   1HG   LYS  50           HG2      LYS  50  -1.118 -10.432 -10.432
  448   2HG   LYS  50           HG1      LYS  50  -1.054  -9.324  -9.324
  449   1HD   LYS  50           HD2      LYS  50   1.119  -9.889  -9.889
  450   2HD   LYS  50           HD1      LYS  50   1.550 -10.232 -10.232
  451   1HE   LYS  50           HE2      LYS  50  -0.269 -12.195 -12.195
  452   2HE   LYS  50           HE1      LYS  50   0.336 -12.016 -12.016
  453   1HZ   LYS  50           HZ1      LYS  50   2.629 -12.052 -12.052
  454   2HZ   LYS  50           HZ3      LYS  50   1.786 -12.804 -12.804
  455   3HZ   LYS  50           HZ2      LYS  50   1.809 -13.513 -13.513
  456    H    ASN  51            HN      ASN  51  -0.892  -8.755  -8.755
  457    HA   ASN  51            HA      ASN  51  -1.642 -11.418 -11.418
  458   1HB   ASN  51           HB2      ASN  51  -1.058  -9.390  -9.390
  459   2HB   ASN  51           HB1      ASN  51  -1.885 -10.799 -10.799
  460   1HD2  ASN  51          HD22      ASN  51   0.949 -12.920 -12.920
  461   2HD2  ASN  51          HD21      ASN  51  -0.721 -12.854 -12.854
  462    H    TYR  52            HN      TYR  52  -3.439  -8.524  -8.524
  463    HA   TYR  52            HA      TYR  52  -5.925 -10.045 -10.045
  464   1HB   TYR  52           HB2      TYR  52  -5.190  -7.122  -7.122
  465   2HB   TYR  52           HB1      TYR  52  -6.846  -7.655  -7.655
  466    HD1  TYR  52           HD1      TYR  52  -4.239  -9.763  -9.763
  467    HD2  TYR  52           HD2      TYR  52  -7.069  -6.619  -6.619
  468    HE1  TYR  52           HE1      TYR  52  -4.051  -9.996  -9.996
  469    HE2  TYR  52           HE2      TYR  52  -6.893  -6.845  -6.845
  470    HH   TYR  52            HH      TYR  52  -6.238  -8.440  -8.440
  471    H    ILE  53            HN      ILE  53  -4.559 -10.086 -10.086
  472    HA   ILE  53            HA      ILE  53  -6.701  -9.128  -9.128
  473    HB   ILE  53            HB      ILE  53  -4.128  -8.254  -8.254
  474   1HG1  ILE  53          HG12      ILE  53  -5.554  -6.569  -6.569
  475   2HG1  ILE  53          HG11      ILE  53  -4.106  -7.502  -7.502
  476   1HG2  ILE  53          HG23      ILE  53  -6.953  -7.358  -7.358
  477   2HG2  ILE  53          HG22      ILE  53  -5.685  -6.230  -6.230
  478   3HG2  ILE  53          HG21      ILE  53  -5.875  -7.720  -7.720
  479   1HD1  ILE  53          HD13      ILE  53  -3.797  -5.952  -5.952
  480   2HD1  ILE  53          HD12      ILE  53  -4.200  -4.923  -4.923
  481   3HD1  ILE  53          HD11      ILE  53  -2.788  -5.967  -5.967
  482    H    GLU  54            HN      GLU  54  -6.271  -9.591  -9.591
  483    HA   GLU  54            HA      GLU  54  -4.396 -11.675 -11.675
  484   1HB   GLU  54           HB2      GLU  54  -7.230 -12.168 -12.168
  485   2HB   GLU  54           HB1      GLU  54  -6.630 -12.681 -12.681
  486   1HG   GLU  54           HG2      GLU  54  -5.083 -14.185 -14.185
  487   2HG   GLU  54           HG1      GLU  54  -5.164 -13.411 -13.411
  488    H    MET  55            HN      MET  55  -4.082 -11.873 -11.873
  489    HA   MET  55            HA      MET  55  -4.699  -9.334  -9.334
  490   1HB   MET  55           HB2      MET  55  -2.382 -10.360 -10.360
  491   2HB   MET  55           HB1      MET  55  -2.971 -11.582 -11.582
  492   1HG   MET  55           HG2      MET  55  -3.716  -9.650  -9.650
  493   2HG   MET  55           HG1      MET  55  -2.767  -8.599  -8.599
  494   1HE   MET  55           HE1      MET  55  -2.163  -8.294  -8.294
  495   2HE   MET  55           HE3      MET  55  -0.840  -7.763  -7.763
  496   3HE   MET  55           HE2      MET  55  -0.501  -8.728  -8.728
  497    H    LYS  56            HN      LYS  56  -6.593  -9.278  -9.278
  498    HA   LYS  56            HA      LYS  56  -7.344 -11.601 -11.601
  499   1HB   LYS  56           HB2      LYS  56  -8.828  -9.517  -9.517
  500   2HB   LYS  56           HB1      LYS  56  -9.514 -10.147 -10.147
  501   1HG   LYS  56           HG2      LYS  56  -9.475 -12.390 -12.390
  502   2HG   LYS  56           HG1      LYS  56  -8.471 -11.912 -11.912
  503   1HD   LYS  56           HD2      LYS  56 -10.826 -12.226 -12.226
  504   2HD   LYS  56           HD1      LYS  56 -10.320 -10.551 -10.551
  505   1HE   LYS  56           HE2      LYS  56 -11.367  -9.979  -9.979
  506   2HE   LYS  56           HE1      LYS  56 -11.891 -11.654 -11.654
  507   1HZ   LYS  56           HZ2      LYS  56 -12.601 -10.140 -10.140
  508   2HZ   LYS  56           HZ1      LYS  56 -13.512  -9.945  -9.945
  509   3HZ   LYS  56           HZ3      LYS  56 -13.389 -11.473 -11.473
  510    HA   PRO  57            HA      PRO  57  -6.702  -9.331  -9.331
  511   1HB   PRO  57           HB2      PRO  57  -8.316 -10.646 -10.646
  512   2HB   PRO  57           HB1      PRO  57  -6.745 -11.253 -11.253
  513   1HG   PRO  57           HG2      PRO  57  -9.458 -12.116 -12.116
  514   2HG   PRO  57           HG1      PRO  57  -7.946 -13.003 -13.003
  515   1HD   PRO  57           HD2      PRO  57  -9.248 -11.804 -11.804
  516   2HD   PRO  57           HD1      PRO  57  -7.598 -12.464 -12.464
  517    H    HIS  58            HN      HIS  58 -10.086 -10.235 -10.235
  518    HA   HIS  58            HA      HIS  58 -11.029  -7.482  -7.482
  519   1HB   HIS  58           HB2      HIS  58 -11.272  -8.821  -8.821
  520   2HB   HIS  58           HB1      HIS  58 -11.983  -7.272  -7.272
  521    HD1  HIS  58           HD1      HIS  58 -10.396  -5.236  -5.236
  522    HD2  HIS  58           HD2      HIS  58  -8.441  -8.760  -8.760
  523    HE1  HIS  58           HE1      HIS  58  -8.062  -4.569  -4.569
  524    HA   PRO  59            HA      PRO  59 -14.174 -10.618 -10.618
  525   1HB   PRO  59           HB2      PRO  59 -15.281  -9.177  -9.177
  526   2HB   PRO  59           HB1      PRO  59 -13.861 -10.222 -10.222
  527   1HG   PRO  59           HG2      PRO  59 -13.993  -7.239  -7.239
  528   2HG   PRO  59           HG1      PRO  59 -12.796  -8.282  -8.282
  529   1HD   PRO  59           HD2      PRO  59 -12.449  -6.945  -6.945
  530   2HD   PRO  59           HD1      PRO  59 -11.427  -8.257  -8.257
  531    H    GLU  60            HN      GLU  60 -14.512  -7.180  -7.180
  532    HA   GLU  60            HA      GLU  60 -17.338  -7.671  -7.671
  533   1HB   GLU  60           HB2      GLU  60 -16.076  -5.043  -5.043
  534   2HB   GLU  60           HB1      GLU  60 -17.768  -5.299  -5.299
  535   1HG   GLU  60           HG2      GLU  60 -17.499  -7.193  -7.193
  536   2HG   GLU  60           HG1      GLU  60 -16.315  -6.020  -6.020
  537    H    PHE  61            HN      PHE  61 -18.000  -6.592  -6.592
  538    HA   PHE  61            HA      PHE  61 -15.710  -5.807  -5.807
  539   1HB   PHE  61           HB2      PHE  61 -18.210  -7.335  -7.335
  540   2HB   PHE  61           HB1      PHE  61 -16.909  -6.851  -6.851
  541    HD1  PHE  61           HD2      PHE  61 -14.533  -7.701  -7.701
  542    HD2  PHE  61           HD1      PHE  61 -18.076  -9.356  -9.356
  543    HE1  PHE  61           HE2      PHE  61 -13.280  -9.760  -9.760
  544    HE2  PHE  61           HE1      PHE  61 -16.824 -11.416 -11.416
  545    HZ   PHE  61            HZ      PHE  61 -14.425 -11.618 -11.618
  546    H    ILE  62            HN      ILE  62 -19.289  -5.751  -5.751
  547    HA   ILE  62            HA      ILE  62 -19.156  -2.791  -2.791
  548    HB   ILE  62            HB      ILE  62 -20.819  -4.609  -4.609
  549   1HG1  ILE  62          HG12      ILE  62 -19.091  -3.465  -3.465
  550   2HG1  ILE  62          HG11      ILE  62 -18.064  -3.483  -3.483
  551   1HG2  ILE  62          HG21      ILE  62 -20.385  -1.636  -1.636
  552   2HG2  ILE  62          HG23      ILE  62 -20.857  -2.356  -2.356
  553   3HG2  ILE  62          HG22      ILE  62 -21.902  -2.526  -2.526
  554   1HD1  ILE  62          HD13      ILE  62 -19.054  -5.994  -5.994
  555   2HD1  ILE  62          HD12      ILE  62 -19.101  -5.752  -5.752
  556   3HD1  ILE  62          HD11      ILE  62 -17.577  -5.594  -5.594
  557    H    VAL  63            HN      VAL  63 -20.995  -1.710  -1.710
  558    HA   VAL  63            HA      VAL  63 -22.485  -3.072  -3.072
  559    HB   VAL  63            HB      VAL  63 -23.796  -0.934  -0.934
  560   1HG1  VAL  63          HG11      VAL  63 -20.771  -0.791  -0.791
  561   2HG1  VAL  63          HG13      VAL  63 -21.783   0.498   0.498
  562   3HG1  VAL  63          HG12      VAL  63 -21.782  -1.092  -1.092
  563   1HG2  VAL  63          HG23      VAL  63 -22.609  -0.648  -0.648
  564   2HG2  VAL  63          HG22      VAL  63 -23.927   0.262   0.262
  565   3HG2  VAL  63          HG21      VAL  63 -22.257   0.753   0.753
  566    H    THR  64            HN      THR  64 -24.300  -4.278  -4.278
  567    HA   THR  64            HA      THR  64 -25.575  -4.579  -4.579
  568    HB   THR  64            HB      THR  64 -25.385  -6.505  -6.505
  569    HG1  THR  64           HG1      THR  64 -27.123  -6.728  -6.728
  570   1HG2  THR  64          HG23      THR  64 -26.024  -4.681  -4.681
  571   2HG2  THR  64          HG22      THR  64 -27.474  -5.677  -5.677
  572   3HG2  THR  64          HG21      THR  64 -25.913  -6.430  -6.430
  573    H    ASP  65            HN      ASP  65 -26.225  -2.776  -2.776
  574    HA   ASP  65            HA      ASP  65 -28.694  -1.686  -1.686
  575   1HB   ASP  65           HB2      ASP  65 -29.096  -3.134  -3.134
  576   2HB   ASP  65           HB1      ASP  65 -28.236  -1.907  -1.907
  577   1H    SER   1           HT3      SER   1 -10.542 -17.045 -17.045
  578   2H    SER   1           HT2      SER   1 -10.375 -15.421 -15.421
  579   3H    SER   1           HT1      SER   1  -9.260 -16.584 -16.584
  580    HA   SER   1            HA      SER   1  -8.459 -16.923 -16.923
  581   1HB   SER   1           HB2      SER   1  -8.577 -14.053 -14.053
  582   2HB   SER   1           HB1      SER   1  -7.539 -14.591 -14.591
  583    HG   SER   1            HG      SER   1  -6.377 -15.784 -15.784
  584    HA   PRO   2            HA      PRO   2 -11.306 -15.844 -15.844
  585   1HB   PRO   2           HB2      PRO   2  -9.643 -16.049 -16.049
  586   2HB   PRO   2           HB1      PRO   2 -10.297 -17.449 -17.449
  587   1HG   PRO   2           HG2      PRO   2  -7.524 -16.349 -16.349
  588   2HG   PRO   2           HG1      PRO   2  -8.081 -17.997 -17.997
  589   1HD   PRO   2           HD2      PRO   2  -7.365 -16.032 -16.032
  590   2HD   PRO   2           HD1      PRO   2  -8.168 -17.584 -17.584
  591    H    LEU   3            HN      LEU   3  -8.467 -13.937 -13.937
  592    HA   LEU   3            HA      LEU   3  -9.761 -11.536 -11.536
  593   1HB   LEU   3           HB2      LEU   3  -7.918 -10.986 -10.986
  594   2HB   LEU   3           HB1      LEU   3  -8.923 -12.344 -12.344
  595    HG   LEU   3            HG      LEU   3  -7.008 -13.653 -13.653
  596   1HD1  LEU   3          HD12      LEU   3  -5.914 -11.023 -11.023
  597   2HD1  LEU   3          HD11      LEU   3  -4.911 -12.408 -12.408
  598   3HD1  LEU   3          HD13      LEU   3  -5.363 -12.144 -12.144
  599   1HD2  LEU   3          HD21      LEU   3  -7.795 -14.168 -14.168
  600   2HD2  LEU   3          HD23      LEU   3  -6.037 -14.256 -14.256
  601   3HD2  LEU   3          HD22      LEU   3  -6.800 -12.851 -12.851
  602    H    LEU   4            HN      LEU   4  -8.882  -9.703  -9.703
  603    HA   LEU   4            HA      LEU   4  -6.408 -10.091 -10.091
  604   1HB   LEU   4           HB2      LEU   4  -9.087  -8.999  -8.999
  605   2HB   LEU   4           HB1      LEU   4  -7.687  -8.149  -8.149
  606    HG   LEU   4            HG      LEU   4  -6.820 -10.370 -10.370
  607   1HD1  LEU   4          HD11      LEU   4  -9.405 -11.213 -11.213
  608   2HD1  LEU   4          HD13      LEU   4  -8.885 -12.035 -12.035
  609   3HD1  LEU   4          HD12      LEU   4  -7.854 -12.052 -12.052
  610   1HD2  LEU   4          HD22      LEU   4  -8.533  -8.643  -8.643
  611   2HD2  LEU   4          HD21      LEU   4  -7.928 -10.094 -10.094
  612   3HD2  LEU   4          HD23      LEU   4  -9.518 -10.106 -10.106
  613    HA   PRO   5            HA      PRO   5  -5.702  -6.545  -6.545
  614   1HB   PRO   5           HB2      PRO   5  -3.040  -7.072  -7.072
  615   2HB   PRO   5           HB1      PRO   5  -4.358  -7.789  -7.789
  616   1HG   PRO   5           HG2      PRO   5  -2.647  -9.057  -9.057
  617   2HG   PRO   5           HG1      PRO   5  -3.514  -9.812  -9.812
  618   1HD   PRO   5           HD2      PRO   5  -4.349  -9.789  -9.789
  619   2HD   PRO   5           HD1      PRO   5  -5.335 -10.269 -10.269
  620    H    LYS   6            HN      LYS   6  -2.620  -7.270  -7.270
  621    HA   LYS   6            HA      LYS   6  -3.072  -5.101  -5.101
  622   1HB   LYS   6           HB2      LYS   6  -0.767  -5.017  -5.017
  623   2HB   LYS   6           HB1      LYS   6  -1.087  -3.850  -3.850
  624   1HG   LYS   6           HG2      LYS   6  -3.361  -3.466  -3.466
  625   2HG   LYS   6           HG1      LYS   6  -2.734  -4.371  -4.371
  626   1HD   LYS   6           HD2      LYS   6  -1.231  -2.026  -2.026
  627   2HD   LYS   6           HD1      LYS   6  -2.474  -1.808  -1.808
  628   1HE   LYS   6           HE2      LYS   6  -0.460  -3.914  -3.914
  629   2HE   LYS   6           HE1      LYS   6   0.133  -2.253  -2.253
  630   1HZ   LYS   6           HZ1      LYS   6  -2.241  -3.235  -3.235
  631   2HZ   LYS   6           HZ3      LYS   6  -0.703  -3.001  -3.001
  632   3HZ   LYS   6           HZ2      LYS   6  -1.576  -1.673  -1.673
  633    H    LEU   7            HN      LEU   7  -0.491  -4.822  -4.822
  634    HA   LEU   7            HA      LEU   7   0.323  -7.616  -7.616
  635   1HB   LEU   7           HB2      LEU   7  -0.445  -5.341  -5.341
  636   2HB   LEU   7           HB1      LEU   7   1.019  -6.193  -6.193
  637    HG   LEU   7            HG      LEU   7  -1.560  -7.627  -7.627
  638   1HD1  LEU   7          HD12      LEU   7  -0.511  -6.613  -6.613
  639   2HD1  LEU   7          HD11      LEU   7  -1.775  -7.836  -7.836
  640   3HD1  LEU   7          HD13      LEU   7  -2.049  -6.207  -6.207
  641   1HD2  LEU   7          HD22      LEU   7   1.069  -8.366  -8.366
  642   2HD2  LEU   7          HD21      LEU   7   0.299  -9.111  -9.111
  643   3HD2  LEU   7          HD23      LEU   7  -0.380  -9.351  -9.351
  644    HA   PRO   8            HA      PRO   8   4.055  -5.442  -5.442
  645   1HB   PRO   8           HB2      PRO   8   5.214  -7.653  -7.653
  646   2HB   PRO   8           HB1      PRO   8   4.046  -6.613  -6.613
  647   1HG   PRO   8           HG2      PRO   8   3.642  -9.341  -9.341
  648   2HG   PRO   8           HG1      PRO   8   2.778  -8.544  -8.544
  649   1HD   PRO   8           HD2      PRO   8   1.837  -8.826  -8.826
  650   2HD   PRO   8           HD1      PRO   8   1.150  -7.760  -7.760
  651    HA   PRO   9            HA      PRO   9   6.209  -7.079  -7.079
  652   1HB   PRO   9           HB2      PRO   9   8.156  -5.145  -5.145
  653   2HB   PRO   9           HB1      PRO   9   6.509  -4.922  -4.922
  654   1HG   PRO   9           HG2      PRO   9   7.757  -3.800  -3.800
  655   2HG   PRO   9           HG1      PRO   9   6.415  -3.163  -3.163
  656   1HD   PRO   9           HD2      PRO   9   6.175  -4.559  -4.559
  657   2HD   PRO   9           HD1      PRO   9   4.855  -4.199  -4.199
  658    H    LYS  10            HN      LYS  10   8.624  -7.607  -7.607
  659    HA   LYS  10            HA      LYS  10  10.569  -8.767  -8.767
  660   1HB   LYS  10           HB2      LYS  10  10.217  -6.708  -6.708
  661   2HB   LYS  10           HB1      LYS  10  11.333  -8.028  -8.028
  662   1HG   LYS  10           HG2      LYS  10  12.784  -7.448  -7.448
  663   2HG   LYS  10           HG1      LYS  10  11.515  -6.683  -6.683
  664   1HD   LYS  10           HD2      LYS  10  11.407  -4.976  -4.976
  665   2HD   LYS  10           HD1      LYS  10  13.019  -5.585  -5.585
  666   1HE   LYS  10           HE2      LYS  10  12.175  -4.493  -4.493
  667   2HE   LYS  10           HE1      LYS  10  13.089  -3.591  -3.591
  668   1HZ   LYS  10           HZ1      LYS  10  14.741  -5.457  -5.457
  669   2HZ   LYS  10           HZ3      LYS  10  13.922  -6.032  -6.032
  670   3HZ   LYS  10           HZ2      LYS  10  14.653  -4.499  -4.499
  671    H    THR  11            HN      THR  11  11.450 -10.251 -10.251
  672    HA   THR  11            HA      THR  11   9.156 -11.549 -11.549
  673    HB   THR  11            HB      THR  11  10.465 -13.743 -13.743
  674    HG1  THR  11           HG1      THR  11  11.683 -13.626 -13.626
  675   1HG2  THR  11          HG22      THR  11   8.225 -12.934 -12.934
  676   2HG2  THR  11          HG21      THR  11   9.140 -12.400 -12.400
  677   3HG2  THR  11          HG23      THR  11   9.112 -14.108 -14.108
  678    H    TYR  12            HN      TYR  12  12.727 -11.793 -11.793
  679    HA   TYR  12            HA      TYR  12  13.123 -11.064 -11.064
  680   1HB   TYR  12           HB2      TYR  12  12.263 -13.440 -13.440
  681   2HB   TYR  12           HB1      TYR  12  13.700 -13.946 -13.946
  682    HD1  TYR  12           HD1      TYR  12  12.931 -11.613 -11.613
  683    HD2  TYR  12           HD2      TYR  12  15.423 -14.763 -14.763
  684    HE1  TYR  12           HE1      TYR  12  14.242 -11.593 -11.593
  685    HE2  TYR  12           HE2      TYR  12  16.735 -14.742 -14.742
  686    HH   TYR  12            HH      TYR  12  17.225 -13.015 -13.015
  687    H    LYS  13            HN      LYS  13  14.712 -13.226 -13.226
  688    HA   LYS  13            HA      LYS  13  17.347 -12.232 -12.232
  689   1HB   LYS  13           HB2      LYS  13  16.106 -13.807 -13.807
  690   2HB   LYS  13           HB1      LYS  13  17.772 -13.240 -13.240
  691   1HG   LYS  13           HG2      LYS  13  17.845 -14.277 -14.277
  692   2HG   LYS  13           HG1      LYS  13  16.609 -15.315 -15.315
  693   1HD   LYS  13           HD2      LYS  13  18.659 -16.422 -16.422
  694   2HD   LYS  13           HD1      LYS  13  18.240 -15.612 -15.612
  695   1HE   LYS  13           HE2      LYS  13  20.475 -14.991 -14.991
  696   2HE   LYS  13           HE1      LYS  13  19.649 -13.631 -13.631
  697   1HZ   LYS  13           HZ1      LYS  13  19.937 -14.728 -14.728
  698   2HZ   LYS  13           HZ3      LYS  13  20.780 -15.994 -15.994
  699   3HZ   LYS  13           HZ2      LYS  13  21.431 -14.425 -14.425
  700    H    ARG  14            HN      ARG  14  18.654 -11.256 -11.256
  701    HA   ARG  14            HA      ARG  14  19.016  -9.513  -9.513
  702   1HB   ARG  14           HB2      ARG  14  16.435 -10.274 -10.274
  703   2HB   ARG  14           HB1      ARG  14  16.235  -8.570  -8.570
  704   1HG   ARG  14           HG2      ARG  14  17.523  -7.858  -7.858
  705   2HG   ARG  14           HG1      ARG  14  18.581  -9.267  -9.267
  706   1HD   ARG  14           HD2      ARG  14  16.690 -10.648 -10.648
  707   2HD   ARG  14           HD1      ARG  14  15.774  -9.157  -9.157
  708    HE   ARG  14            HE      ARG  14  18.422  -9.139  -9.139
  709   1HH1  ARG  14          HH21      ARG  14  15.299  -8.258  -8.258
  710   2HH1  ARG  14          HH22      ARG  14  15.157  -8.841  -8.841
  711   1HH2  ARG  14          HH11      ARG  14  18.153 -10.585 -10.585
  712   2HH2  ARG  14          HH12      ARG  14  16.774 -10.158 -10.158
  713    H    GLU  15            HN      GLU  15  16.094  -8.206  -8.206
  714    HA   GLU  15            HA      GLU  15  17.510  -6.711  -6.711
  715   1HB   GLU  15           HB2      GLU  15  17.457  -5.564  -5.564
  716   2HB   GLU  15           HB1      GLU  15  16.706  -4.494  -4.494
  717   1HG   GLU  15           HG2      GLU  15  18.667  -4.191  -4.191
  718   2HG   GLU  15           HG1      GLU  15  19.302  -5.776  -5.776

  Start of MODEL   25
    1   1H    GLY  -8           HT1      GLY  -8  10.576  -4.132  -4.132
    2   2H    GLY  -8           HT3      GLY  -8   9.740  -3.279  -3.279
    3   3H    GLY  -8           HT2      GLY  -8   9.702  -4.977  -4.977
    4   1HA   GLY  -8           HA1      GLY  -8   8.531  -4.667  -4.667
    5   2HA   GLY  -8           HA2      GLY  -8   7.508  -4.324  -4.324
    6    H    SER  -7            HN      SER  -7   9.796  -1.967  -1.967
    7    HA   SER  -7            HA      SER  -7   9.827  -0.205  -0.205
    8   1HB   SER  -7           HB2      SER  -7  10.126  -2.403  -2.403
    9   2HB   SER  -7           HB1      SER  -7   8.535  -1.941  -1.941
   10    HG   SER  -7            HG      SER  -7  10.222  -0.982  -0.982
   11    H    ARG  -6            HN      ARG  -6   8.139   0.937   0.937
   12    HA   ARG  -6            HA      ARG  -6   5.338   0.521   0.521
   13   1HB   ARG  -6           HB2      ARG  -6   6.821   2.217   2.217
   14   2HB   ARG  -6           HB1      ARG  -6   5.286   2.855   2.855
   15   1HG   ARG  -6           HG2      ARG  -6   4.299   1.550   1.550
   16   2HG   ARG  -6           HG1      ARG  -6   4.698   0.185   0.185
   17   1HD   ARG  -6           HD2      ARG  -6   6.323  -0.553  -0.553
   18   2HD   ARG  -6           HD1      ARG  -6   6.948   1.074   1.074
   19    HE   ARG  -6            HE      ARG  -6   5.409   1.313   1.313
   20   1HH1  ARG  -6          HH11      ARG  -6   2.937   0.326   0.326
   21   2HH1  ARG  -6          HH12      ARG  -6   2.950  -1.316  -1.316
   22   1HH2  ARG  -6          HH21      ARG  -6   6.383  -1.677  -1.677
   23   2HH2  ARG  -6          HH22      ARG  -6   4.900  -2.450  -2.450
   24    H    ARG  -5            HN      ARG  -5   4.702   1.235   1.235
   25    HA   ARG  -5            HA      ARG  -5   5.884   3.776   3.776
   26   1HB   ARG  -5           HB2      ARG  -5   4.590   1.420   1.420
   27   2HB   ARG  -5           HB1      ARG  -5   4.922   2.946   2.946
   28   1HG   ARG  -5           HG2      ARG  -5   7.086   1.501   1.501
   29   2HG   ARG  -5           HG1      ARG  -5   6.720   1.085   1.085
   30   1HD   ARG  -5           HD2      ARG  -5   7.044   3.979   3.979
   31   2HD   ARG  -5           HD1      ARG  -5   8.505   2.990   2.990
   32    HE   ARG  -5            HE      ARG  -5   6.874   3.593   3.593
   33   1HH1  ARG  -5          HH21      ARG  -5   7.141   1.186   1.186
   34   2HH1  ARG  -5          HH22      ARG  -5   8.808   0.895   0.895
   35   1HH2  ARG  -5          HH11      ARG  -5   9.977   3.446   3.446
   36   2HH2  ARG  -5          HH12      ARG  -5  10.414   2.174   2.174
   37    H    ALA  -4            HN      ALA  -4   3.723   3.624   3.624
   38    HA   ALA  -4            HA      ALA  -4   1.895   5.513   5.513
   39   1HB   ALA  -4           HB1      ALA  -4   1.202   3.046   3.046
   40   2HB   ALA  -4           HB3      ALA  -4   0.443   3.033   3.033
   41   3HB   ALA  -4           HB2      ALA  -4  -0.012   4.258   4.258
   42    H    SER  -3            HN      SER  -3  -0.292   5.161   5.161
   43    HA   SER  -3            HA      SER  -3   0.892   5.012   5.012
   44   1HB   SER  -3           HB2      SER  -3  -0.260   7.177   7.177
   45   2HB   SER  -3           HB1      SER  -3   1.086   7.363   7.363
   46    HG   SER  -3            HG      SER  -3  -1.696   7.390   7.390
   47    H    VAL  -2            HN      VAL  -2  -0.834   3.154   3.154
   48    HA   VAL  -2            HA      VAL  -2  -3.122   3.276   3.276
   49    HB   VAL  -2            HB      VAL  -2  -4.767   2.837   2.837
   50   1HG1  VAL  -2          HG11      VAL  -2  -4.389   5.107   5.107
   51   2HG1  VAL  -2          HG13      VAL  -2  -3.300   5.469   5.469
   52   3HG1  VAL  -2          HG12      VAL  -2  -5.007   5.158   5.158
   53   1HG2  VAL  -2          HG22      VAL  -2  -2.282   3.327   3.327
   54   2HG2  VAL  -2          HG21      VAL  -2  -3.533   2.104   2.104
   55   3HG2  VAL  -2          HG23      VAL  -2  -3.852   3.782   3.782
   56    H    GLY  -1            HN      GLY  -1  -2.682   1.309   1.309
   57   1HA   GLY  -1           HA2      GLY  -1  -3.357  -1.130  -1.130
   58   2HA   GLY  -1           HA1      GLY  -1  -1.625  -0.954  -0.954
   59    H    SER   0            HN      SER   0  -4.053  -0.829  -0.829
   60    HA   SER   0            HA      SER   0  -1.941  -1.901  -1.901
   61   1HB   SER   0           HB2      SER   0  -3.759  -0.903  -0.903
   62   2HB   SER   0           HB1      SER   0  -2.416   0.056   0.056
   63    HG   SER   0            HG      SER   0  -5.112   0.251   0.251
   64    H    MET   1            HN      MET   1  -3.073  -3.091  -3.091
   65    HA   MET   1            HA      MET   1  -5.284  -4.774  -4.774
   66   1HB   MET   1           HB2      MET   1  -2.749  -5.511  -5.511
   67   2HB   MET   1           HB1      MET   1  -4.191  -6.471  -6.471
   68   1HG   MET   1           HG2      MET   1  -3.103  -7.520  -7.520
   69   2HG   MET   1           HG1      MET   1  -4.522  -6.689  -6.689
   70   1HE   MET   1           HE1      MET   1  -4.623  -5.334  -5.334
   71   2HE   MET   1           HE3      MET   1  -3.304  -4.774  -4.774
   72   3HE   MET   1           HE2      MET   1  -3.612  -6.499  -6.499
   73    H    GLU   2            HN      GLU   2  -6.078  -6.129  -6.129
   74    HA   GLU   2            HA      GLU   2  -6.610  -4.041  -4.041
   75   1HB   GLU   2           HB2      GLU   2  -8.438  -5.307  -5.307
   76   2HB   GLU   2           HB1      GLU   2  -8.683  -6.040  -6.040
   77   1HG   GLU   2           HG2      GLU   2  -9.264  -3.998  -3.998
   78   2HG   GLU   2           HG1      GLU   2  -8.486  -3.052  -3.052
   79    H    ALA   3            HN      ALA   3  -7.444  -5.287  -5.287
   80    HA   ALA   3            HA      ALA   3  -6.388  -7.981  -7.981
   81   1HB   ALA   3           HB1      ALA   3  -5.021  -5.608  -5.608
   82   2HB   ALA   3           HB3      ALA   3  -5.151  -7.018  -7.018
   83   3HB   ALA   3           HB2      ALA   3  -4.358  -7.163  -7.163
   84    H    ILE   4            HN      ILE   4  -7.936  -8.961  -8.961
   85    HA   ILE   4            HA      ILE   4 -10.091  -7.782  -7.782
   86    HB   ILE   4            HB      ILE   4 -10.221  -9.978  -9.978
   87   1HG1  ILE   4          HG12      ILE   4 -10.557 -10.825 -10.825
   88   2HG1  ILE   4          HG11      ILE   4 -11.250  -9.234  -9.234
   89   1HG2  ILE   4          HG22      ILE   4  -7.768 -10.446 -10.446
   90   2HG2  ILE   4          HG21      ILE   4  -8.672 -11.216 -11.216
   91   3HG2  ILE   4          HG23      ILE   4  -8.897 -11.750 -11.750
   92   1HD1  ILE   4          HD11      ILE   4 -11.731 -11.509 -11.509
   93   2HD1  ILE   4          HD13      ILE   4 -12.704 -11.316 -11.316
   94   3HD1  ILE   4          HD12      ILE   4 -12.677 -10.041 -10.041
   95    H    ALA   5            HN      ALA   5 -10.209  -6.873  -6.873
   96    HA   ALA   5            HA      ALA   5  -8.113  -7.167  -7.167
   97   1HB   ALA   5           HB3      ALA   5 -10.851  -5.845  -5.845
   98   2HB   ALA   5           HB2      ALA   5  -9.780  -5.891  -5.891
   99   3HB   ALA   5           HB1      ALA   5  -9.277  -5.046  -5.046
  100    H    LYS   6            HN      LYS   6  -8.066  -9.233  -9.233
  101    HA   LYS   6            HA      LYS   6 -10.286 -10.996 -10.996
  102   1HB   LYS   6           HB2      LYS   6  -7.763 -11.007 -11.007
  103   2HB   LYS   6           HB1      LYS   6  -8.853 -12.370 -12.370
  104   1HG   LYS   6           HG2      LYS   6  -8.150 -12.708 -12.708
  105   2HG   LYS   6           HG1      LYS   6  -7.757 -11.009 -11.009
  106   1HD   LYS   6           HD2      LYS   6  -5.687 -12.239 -12.239
  107   2HD   LYS   6           HD1      LYS   6  -5.816 -11.293 -11.293
  108   1HE   LYS   6           HE2      LYS   6  -5.174 -13.426 -13.426
  109   2HE   LYS   6           HE1      LYS   6  -6.923 -13.427 -13.427
  110   1HZ   LYS   6           HZ2      LYS   6  -7.023 -14.428 -14.428
  111   2HZ   LYS   6           HZ1      LYS   6  -5.353 -14.700 -14.700
  112   3HZ   LYS   6           HZ3      LYS   6  -6.426 -15.432 -15.432
  113    H    TYR   7            HN      TYR   7  -9.129  -8.501  -8.501
  114    HA   TYR   7            HA      TYR   7 -11.519  -8.981  -8.981
  115   1HB   TYR   7           HB2      TYR   7  -8.881  -8.559  -8.559
  116   2HB   TYR   7           HB1      TYR   7 -10.364  -9.223  -9.223
  117    HD1  TYR   7           HD1      TYR   7 -11.158 -11.501 -11.501
  118    HD2  TYR   7           HD2      TYR   7  -7.191  -9.954  -9.954
  119    HE1  TYR   7           HE1      TYR   7 -10.325 -13.789 -13.789
  120    HE2  TYR   7           HE2      TYR   7  -6.347 -12.223 -12.223
  121    HH   TYR   7            HH      TYR   7  -7.886 -14.564 -14.564
  122    H    ASP   8            HN      ASP   8 -11.199  -7.259  -7.259
  123    HA   ASP   8            HA      ASP   8 -11.208  -4.694  -4.694
  124   1HB   ASP   8           HB2      ASP   8 -12.379  -3.863  -3.863
  125   2HB   ASP   8           HB1      ASP   8 -13.060  -5.436  -5.436
  126    H    PHE   9            HN      PHE   9 -10.174  -2.804  -2.804
  127    HA   PHE   9            HA      PHE   9  -8.204  -2.864  -2.864
  128   1HB   PHE   9           HB2      PHE   9  -7.315  -4.338  -4.338
  129   2HB   PHE   9           HB1      PHE   9  -6.507  -2.781  -2.781
  130    HD1  PHE   9           HD1      PHE   9  -7.532  -4.689  -4.689
  131    HD2  PHE   9           HD2      PHE   9  -4.292  -3.129  -3.129
  132    HE1  PHE   9           HE1      PHE   9  -5.922  -5.359  -5.359
  133    HE2  PHE   9           HE2      PHE   9  -2.684  -3.795  -3.795
  134    HZ   PHE   9            HZ      PHE   9  -3.500  -4.909  -4.909
  135    H    LYS  10            HN      LYS  10  -6.440  -1.029  -1.029
  136    HA   LYS  10            HA      LYS  10  -7.712   1.092   1.092
  137   1HB   LYS  10           HB2      LYS  10  -7.510   2.738   2.738
  138   2HB   LYS  10           HB1      LYS  10  -8.493   1.390   1.390
  139   1HG   LYS  10           HG2      LYS  10  -6.888   0.646   0.646
  140   2HG   LYS  10           HG1      LYS  10  -5.555   1.248   1.248
  141   1HD   LYS  10           HD2      LYS  10  -5.767   2.589   2.589
  142   2HD   LYS  10           HD1      LYS  10  -6.144   3.570   3.570
  143   1HE   LYS  10           HE2      LYS  10  -8.491   2.186   2.186
  144   2HE   LYS  10           HE1      LYS  10  -7.750   3.322   3.322
  145   1HZ   LYS  10           HZ1      LYS  10  -7.715   4.831   4.831
  146   2HZ   LYS  10           HZ3      LYS  10  -9.003   3.830   3.830
  147   3HZ   LYS  10           HZ2      LYS  10  -9.103   4.721   4.721
  148    H    ALA  11            HN      ALA  11  -6.176   3.122   3.122
  149    HA   ALA  11            HA      ALA  11  -3.697   2.239   2.239
  150   1HB   ALA  11           HB3      ALA  11  -5.094   4.839   4.839
  151   2HB   ALA  11           HB2      ALA  11  -3.341   4.881   4.881
  152   3HB   ALA  11           HB1      ALA  11  -4.395   4.148   4.148
  153    H    THR  12            HN      THR  12  -1.668   2.264   2.264
  154    HA   THR  12            HA      THR  12  -1.729   3.186   3.186
  155    HB   THR  12            HB      THR  12   0.222   1.462   1.462
  156    HG1  THR  12           HG1      THR  12  -0.117  -0.268  -0.268
  157   1HG2  THR  12          HG22      THR  12  -2.695   0.750   0.750
  158   2HG2  THR  12          HG21      THR  12  -1.499  -0.388  -0.388
  159   3HG2  THR  12          HG23      THR  12  -1.837   1.105   1.105
  160    H    ALA  13            HN      ALA  13  -1.121   5.027   5.027
  161    HA   ALA  13            HA      ALA  13   1.375   6.096   6.096
  162   1HB   ALA  13           HB3      ALA  13   1.464   4.601   4.601
  163   2HB   ALA  13           HB2      ALA  13   2.651   5.819   5.819
  164   3HB   ALA  13           HB1      ALA  13   2.486   4.332   4.332
  165    H    ASP  14            HN      ASP  14   2.138   7.767   7.767
  166    HA   ASP  14            HA      ASP  14  -0.183   9.415   9.415
  167   1HB   ASP  14           HB2      ASP  14   2.139  10.039  10.039
  168   2HB   ASP  14           HB1      ASP  14   2.638  10.021  10.021
  169    H    ASP  15            HN      ASP  15   1.199   6.947   6.947
  170    HA   ASP  15            HA      ASP  15   0.171   8.004   8.004
  171   1HB   ASP  15           HB2      ASP  15   2.952   7.134   7.134
  172   2HB   ASP  15           HB1      ASP  15   2.252   6.689   6.689
  173    H    GLU  16            HN      GLU  16  -0.781   6.037   6.037
  174    HA   GLU  16            HA      GLU  16  -0.555   3.511   3.511
  175   1HB   GLU  16           HB2      GLU  16  -0.199   3.812   3.812
  176   2HB   GLU  16           HB1      GLU  16  -1.947   3.699   3.699
  177   1HG   GLU  16           HG2      GLU  16  -1.809   1.474   1.474
  178   2HG   GLU  16           HG1      GLU  16  -1.030   1.659   1.659
  179    H    LEU  17            HN      LEU  17  -2.758   2.222   2.222
  180    HA   LEU  17            HA      LEU  17  -4.994   4.075   4.075
  181   1HB   LEU  17           HB2      LEU  17  -4.069   3.384   3.384
  182   2HB   LEU  17           HB1      LEU  17  -4.074   1.701   1.701
  183    HG   LEU  17            HG      LEU  17  -6.695   2.170   2.170
  184   1HD1  LEU  17          HD13      LEU  17  -5.782   4.149   4.149
  185   2HD1  LEU  17          HD12      LEU  17  -7.459   3.682   3.682
  186   3HD1  LEU  17          HD11      LEU  17  -6.556   4.543   4.543
  187   1HD2  LEU  17          HD23      LEU  17  -5.019   1.378   1.378
  188   2HD2  LEU  17          HD22      LEU  17  -6.240   0.450   0.450
  189   3HD2  LEU  17          HD21      LEU  17  -6.735   1.671   1.671
  190    H    SER  18            HN      SER  18  -6.876   3.559   3.559
  191    HA   SER  18            HA      SER  18  -7.021   1.188   1.188
  192   1HB   SER  18           HB2      SER  18  -9.123   2.369   2.369
  193   2HB   SER  18           HB1      SER  18  -7.677   3.278   3.278
  194    HG   SER  18            HG      SER  18  -9.290   4.525   4.525
  195    H    PHE  19            HN      PHE  19  -9.169   0.004   0.004
  196    HA   PHE  19            HA      PHE  19 -10.999   0.087   0.087
  197   1HB   PHE  19           HB2      PHE  19 -10.305  -1.949  -1.949
  198   2HB   PHE  19           HB1      PHE  19  -9.122  -0.650  -0.650
  199    HD1  PHE  19           HD1      PHE  19  -9.912  -3.764  -3.764
  200    HD2  PHE  19           HD2      PHE  19  -6.882  -0.955  -0.955
  201    HE1  PHE  19           HE1      PHE  19  -8.156  -5.268  -5.268
  202    HE2  PHE  19           HE2      PHE  19  -5.130  -2.452  -2.452
  203    HZ   PHE  19            HZ      PHE  19  -5.767  -4.609  -4.609
  204    H    LYS  20            HN      LYS  20 -12.389  -1.983  -1.983
  205    HA   LYS  20            HA      LYS  20 -12.360  -3.136  -3.136
  206   1HB   LYS  20           HB2      LYS  20 -14.724  -2.766  -2.766
  207   2HB   LYS  20           HB1      LYS  20 -14.776  -3.285  -3.285
  208   1HG   LYS  20           HG2      LYS  20 -13.320  -0.776  -0.776
  209   2HG   LYS  20           HG1      LYS  20 -14.970  -0.661  -0.661
  210   1HD   LYS  20           HD2      LYS  20 -14.517  -1.986  -1.986
  211   2HD   LYS  20           HD1      LYS  20 -14.427  -0.226  -0.226
  212   1HE   LYS  20           HE2      LYS  20 -16.706  -0.716  -0.716
  213   2HE   LYS  20           HE1      LYS  20 -16.671  -0.314  -0.314
  214   1HZ   LYS  20           HZ2      LYS  20 -16.473  -3.089  -3.089
  215   2HZ   LYS  20           HZ1      LYS  20 -17.946  -2.362  -2.362
  216   3HZ   LYS  20           HZ3      LYS  20 -16.735  -2.590  -2.590
  217    H    ARG  21            HN      ARG  21 -13.836  -5.223  -5.223
  218    HA   ARG  21            HA      ARG  21 -12.445  -7.179  -7.179
  219   1HB   ARG  21           HB2      ARG  21 -13.433  -7.560  -7.560
  220   2HB   ARG  21           HB1      ARG  21 -15.035  -7.457  -7.457
  221   1HG   ARG  21           HG2      ARG  21 -14.788  -9.460  -9.460
  222   2HG   ARG  21           HG1      ARG  21 -13.024  -9.350  -9.350
  223   1HD   ARG  21           HD2      ARG  21 -12.805 -10.207 -10.207
  224   2HD   ARG  21           HD1      ARG  21 -14.313  -9.484  -9.484
  225    HE   ARG  21            HE      ARG  21 -14.153 -11.994 -11.994
  226   1HH1  ARG  21          HH21      ARG  21 -16.492  -9.808  -9.808
  227   2HH1  ARG  21          HH22      ARG  21 -17.497 -10.849 -10.849
  228   1HH2  ARG  21          HH11      ARG  21 -15.120 -13.363 -13.363
  229   2HH2  ARG  21          HH12      ARG  21 -16.720 -12.863 -12.863
  230    H    GLY  22            HN      GLY  22 -12.814  -7.214  -7.214
  231   1HA   GLY  22           HA2      GLY  22 -14.353  -8.051  -8.051
  232   2HA   GLY  22           HA1      GLY  22 -15.663  -7.219  -7.219
  233    H    ASP  23            HN      ASP  23 -12.986  -5.203  -5.203
  234    HA   ASP  23            HA      ASP  23 -13.982  -3.652  -3.652
  235   1HB   ASP  23           HB2      ASP  23 -13.192  -2.993  -2.993
  236   2HB   ASP  23           HB1      ASP  23 -11.955  -2.334  -2.334
  237    H    ILE  24            HN      ILE  24 -12.928  -4.355  -4.355
  238    HA   ILE  24            HA      ILE  24 -10.147  -5.220  -5.220
  239    HB   ILE  24            HB      ILE  24 -11.671  -4.618  -4.618
  240   1HG1  ILE  24          HG12      ILE  24 -11.917  -6.997  -6.997
  241   2HG1  ILE  24          HG11      ILE  24 -13.216  -5.972  -5.972
  242   1HG2  ILE  24          HG21      ILE  24  -9.117  -5.385  -5.385
  243   2HG2  ILE  24          HG23      ILE  24  -9.880  -6.970  -6.970
  244   3HG2  ILE  24          HG22      ILE  24 -10.044  -5.921  -5.921
  245   1HD1  ILE  24          HD11      ILE  24 -12.111  -6.931  -6.931
  246   2HD1  ILE  24          HD13      ILE  24 -11.938  -8.305  -8.305
  247   3HD1  ILE  24          HD12      ILE  24 -13.531  -7.608  -7.608
  248    H    LEU  25            HN      LEU  25  -8.356  -4.107  -4.107
  249    HA   LEU  25            HA      LEU  25  -8.741  -1.161  -1.161
  250   1HB   LEU  25           HB2      LEU  25  -6.074  -2.512  -2.512
  251   2HB   LEU  25           HB1      LEU  25  -6.545  -0.867  -0.867
  252    HG   LEU  25            HG      LEU  25  -6.505  -1.955  -1.955
  253   1HD1  LEU  25          HD11      LEU  25  -8.830  -0.918  -0.918
  254   2HD1  LEU  25          HD13      LEU  25  -9.375  -2.564  -2.564
  255   3HD1  LEU  25          HD12      LEU  25  -8.642  -1.675  -1.675
  256   1HD2  LEU  25          HD21      LEU  25  -6.664  -4.285  -4.285
  257   2HD2  LEU  25          HD23      LEU  25  -6.751  -4.186  -4.186
  258   3HD2  LEU  25          HD22      LEU  25  -8.234  -4.266  -4.266
  259    H    LYS  26            HN      LYS  26  -7.230   0.009   0.009
  260    HA   LYS  26            HA      LYS  26  -6.932  -1.566  -1.566
  261   1HB   LYS  26           HB2      LYS  26  -8.178   0.789   0.789
  262   2HB   LYS  26           HB1      LYS  26  -6.541   1.395   1.395
  263   1HG   LYS  26           HG2      LYS  26  -6.359   0.304   0.304
  264   2HG   LYS  26           HG1      LYS  26  -7.854  -0.594  -0.594
  265   1HD   LYS  26           HD2      LYS  26  -7.825   2.423   2.423
  266   2HD   LYS  26           HD1      LYS  26  -7.978   1.510   1.510
  267   1HE   LYS  26           HE2      LYS  26  -9.766   0.938   0.938
  268   2HE   LYS  26           HE1      LYS  26 -10.161   2.207   2.207
  269   1HZ   LYS  26           HZ3      LYS  26  -9.790   0.415   0.415
  270   2HZ   LYS  26           HZ2      LYS  26  -9.895  -0.698  -0.698
  271   3HZ   LYS  26           HZ1      LYS  26 -11.209   0.318   0.318
  272    H    VAL  27            HN      VAL  27  -4.916  -2.565  -2.565
  273    HA   VAL  27            HA      VAL  27  -2.683  -1.235  -1.235
  274    HB   VAL  27            HB      VAL  27  -2.584  -3.571  -3.571
  275   1HG1  VAL  27          HG13      VAL  27  -0.518  -2.141  -2.141
  276   2HG1  VAL  27          HG12      VAL  27  -0.767  -3.322  -3.322
  277   3HG1  VAL  27          HG11      VAL  27  -0.421  -3.865  -3.865
  278   1HG2  VAL  27          HG22      VAL  27  -3.927  -3.373  -3.373
  279   2HG2  VAL  27          HG21      VAL  27  -3.614  -4.834  -4.834
  280   3HG2  VAL  27          HG23      VAL  27  -2.455  -4.304  -4.304
  281    H    LEU  28            HN      LEU  28  -2.134   0.682   0.682
  282    HA   LEU  28            HA      LEU  28  -1.761   0.942   0.942
  283   1HB   LEU  28           HB2      LEU  28  -0.583   3.089   3.089
  284   2HB   LEU  28           HB1      LEU  28  -1.696   3.215   3.215
  285    HG   LEU  28            HG      LEU  28  -3.351   2.187   2.187
  286   1HD1  LEU  28          HD11      LEU  28  -1.509   2.338   2.338
  287   2HD1  LEU  28          HD13      LEU  28  -1.457   4.079   4.079
  288   3HD1  LEU  28          HD12      LEU  28  -2.898   3.330   3.330
  289   1HD2  LEU  28          HD23      LEU  28  -2.688   4.908   4.908
  290   2HD2  LEU  28          HD22      LEU  28  -4.219   4.033   4.033
  291   3HD2  LEU  28          HD21      LEU  28  -3.712   4.826   4.826
  292    H    ASN  29            HN      ASN  29   0.031  -0.258  -0.258
  293    HA   ASN  29            HA      ASN  29   2.423  -0.478  -0.478
  294   1HB   ASN  29           HB2      ASN  29   2.284   1.840   1.840
  295   2HB   ASN  29           HB1      ASN  29   3.099   0.777   0.777
  296   1HD2  ASN  29          HD22      ASN  29   5.672   2.340   2.340
  297   2HD2  ASN  29          HD21      ASN  29   4.472   2.973   2.973
  298    H    GLU  30            HN      GLU  30   3.581  -2.267  -2.267
  299    HA   GLU  30            HA      GLU  30   3.158  -3.423  -3.423
  300   1HB   GLU  30           HB2      GLU  30   2.988  -5.699  -5.699
  301   2HB   GLU  30           HB1      GLU  30   1.614  -4.652  -4.652
  302   1HG   GLU  30           HG2      GLU  30   2.243  -4.367  -4.367
  303   2HG   GLU  30           HG1      GLU  30   3.953  -4.576  -4.576
  304    H    GLU  31            HN      GLU  31   5.320  -2.027  -2.027
  305    HA   GLU  31            HA      GLU  31   7.505  -3.627  -3.627
  306   1HB   GLU  31           HB2      GLU  31   7.661  -1.126  -1.126
  307   2HB   GLU  31           HB1      GLU  31   8.928  -1.782  -1.782
  308   1HG   GLU  31           HG2      GLU  31   7.441  -1.449  -1.449
  309   2HG   GLU  31           HG1      GLU  31   6.251  -0.693  -0.693
  310    H    CYS  32            HN      CYS  32   9.547  -3.620  -3.620
  311    HA   CYS  32            HA      CYS  32   9.036  -5.633  -5.633
  312   1HB   CYS  32           HB2      CYS  32  11.299  -3.633  -3.633
  313   2HB   CYS  32           HB1      CYS  32  11.246  -4.979  -4.979
  314    HG   CYS  32            HG      CYS  32  11.287  -6.638  -6.638
  315    H    ASP  33            HN      ASP  33   8.920  -5.517  -5.517
  316    HA   ASP  33            HA      ASP  33   8.845  -3.207  -3.207
  317   1HB   ASP  33           HB2      ASP  33   6.721  -3.139  -3.139
  318   2HB   ASP  33           HB1      ASP  33   6.113  -4.278  -4.278
  319    H    GLN  34            HN      GLN  34   7.408  -3.783  -3.783
  320    HA   GLN  34            HA      GLN  34   8.474  -6.377  -6.377
  321   1HB   GLN  34           HB2      GLN  34   7.353  -4.008  -4.008
  322   2HB   GLN  34           HB1      GLN  34   7.400  -5.568  -5.568
  323   1HG   GLN  34           HG2      GLN  34   9.836  -5.728  -5.728
  324   2HG   GLN  34           HG1      GLN  34   9.756  -4.104  -4.104
  325   1HE2  GLN  34          HE22      GLN  34   9.990  -4.564  -4.564
  326   2HE2  GLN  34          HE21      GLN  34  10.053  -5.891  -5.891
  327    H    ASN  35            HN      ASN  35   6.472  -6.777  -6.777
  328    HA   ASN  35            HA      ASN  35   4.624  -8.122  -8.122
  329   1HB   ASN  35           HB2      ASN  35   4.999  -8.430  -8.430
  330   2HB   ASN  35           HB1      ASN  35   3.446  -8.874  -8.874
  331   1HD2  ASN  35          HD22      ASN  35   6.355 -11.510 -11.510
  332   2HD2  ASN  35          HD21      ASN  35   6.227 -10.315 -10.315
  333    H    TRP  36            HN      TRP  36   4.405  -5.206  -5.206
  334    HA   TRP  36            HA      TRP  36   1.439  -5.108  -5.108
  335   1HB   TRP  36           HB2      TRP  36   3.283  -2.737  -2.737
  336   2HB   TRP  36           HB1      TRP  36   1.529  -2.754  -2.754
  337    HD1  TRP  36           HD1      TRP  36   4.266  -5.149  -5.149
  338    HE1  TRP  36           HE1      TRP  36   4.017  -5.394  -5.394
  339    HE3  TRP  36           HE3      TRP  36   0.318  -1.983  -1.983
  340    HZ2  TRP  36           HZ2      TRP  36   2.449  -4.382  -4.382
  341    HZ3  TRP  36           HZ3      TRP  36  -0.480  -1.633  -1.633
  342    HH2  TRP  36           HH2      TRP  36   0.562  -2.835  -2.835
  343    H    TYR  37            HN      TYR  37   0.330  -4.343  -4.343
  344    HA   TYR  37            HA      TYR  37   1.788  -3.764  -3.764
  345   1HB   TYR  37           HB2      TYR  37  -1.150  -3.904  -3.904
  346   2HB   TYR  37           HB1      TYR  37  -0.607  -3.392  -3.392
  347    HD1  TYR  37           HD2      TYR  37   1.636  -5.163  -5.163
  348    HD2  TYR  37           HD1      TYR  37  -2.077  -6.016  -6.016
  349    HE1  TYR  37           HE2      TYR  37   1.792  -7.535  -7.535
  350    HE2  TYR  37           HE1      TYR  37  -1.929  -8.379  -8.379
  351    HH   TYR  37            HH      TYR  37   0.392  -9.445  -9.445
  352    H    LYS  38            HN      LYS  38   0.557  -1.862  -1.862
  353    HA   LYS  38            HA      LYS  38   0.278   0.560   0.560
  354   1HB   LYS  38           HB2      LYS  38   2.545   0.433   0.433
  355   2HB   LYS  38           HB1      LYS  38   1.689   0.469   0.469
  356   1HG   LYS  38           HG2      LYS  38   0.864   2.542   2.542
  357   2HG   LYS  38           HG1      LYS  38   2.524   2.682   2.682
  358   1HD   LYS  38           HD2      LYS  38   1.053   2.075   2.075
  359   2HD   LYS  38           HD1      LYS  38   0.039   3.211   3.211
  360   1HE   LYS  38           HE2      LYS  38   1.931   4.769   4.769
  361   2HE   LYS  38           HE1      LYS  38   2.949   3.634   3.634
  362   1HZ   LYS  38           HZ3      LYS  38   0.413   4.474   4.474
  363   2HZ   LYS  38           HZ2      LYS  38   1.710   5.573   5.573
  364   3HZ   LYS  38           HZ1      LYS  38   1.878   4.048   4.048
  365    H    ALA  39            HN      ALA  39  -2.026   0.353   0.353
  366    HA   ALA  39            HA      ALA  39  -3.008   0.575   0.575
  367   1HB   ALA  39           HB2      ALA  39  -3.456  -1.584  -1.584
  368   2HB   ALA  39           HB1      ALA  39  -4.310  -0.766  -0.766
  369   3HB   ALA  39           HB3      ALA  39  -4.948  -0.707  -0.707
  370    H    GLU  40            HN      GLU  40  -5.530   1.079   1.079
  371    HA   GLU  40            HA      GLU  40  -5.838   3.440   3.440
  372   1HB   GLU  40           HB2      GLU  40  -5.417   4.889   4.889
  373   2HB   GLU  40           HB1      GLU  40  -4.814   3.531   3.531
  374   1HG   GLU  40           HG2      GLU  40  -7.045   3.248   3.248
  375   2HG   GLU  40           HG1      GLU  40  -7.701   4.528   4.528
  376    H    LEU  41            HN      LEU  41  -7.769   3.762   3.762
  377    HA   LEU  41            HA      LEU  41  -9.967   2.102   2.102
  378   1HB   LEU  41           HB2      LEU  41  -9.398   3.236   3.236
  379   2HB   LEU  41           HB1      LEU  41 -11.097   3.071   3.071
  380    HG   LEU  41            HG      LEU  41  -9.190   0.838   0.838
  381   1HD1  LEU  41          HD11      LEU  41 -10.107   1.843   1.843
  382   2HD1  LEU  41          HD13      LEU  41 -10.457   0.134   0.134
  383   3HD1  LEU  41          HD12      LEU  41  -8.798   0.723   0.723
  384   1HD2  LEU  41          HD21      LEU  41 -11.572   1.037   1.037
  385   2HD2  LEU  41          HD23      LEU  41 -11.180  -0.460  -0.460
  386   3HD2  LEU  41          HD22      LEU  41 -12.110   0.799   0.799
  387    H    ASN  42            HN      ASN  42 -10.664   3.088   3.088
  388    HA   ASN  42            HA      ASN  42 -11.709   4.721   4.721
  389   1HB   ASN  42           HB2      ASN  42 -13.128   4.392   4.392
  390   2HB   ASN  42           HB1      ASN  42 -13.660   5.707   5.707
  391   1HD2  ASN  42          HD22      ASN  42 -15.240   2.286   2.286
  392   2HD2  ASN  42          HD21      ASN  42 -14.933   2.973   2.973
  393    H    GLY  43            HN      GLY  43  -9.465   5.927   5.927
  394   1HA   GLY  43           HA2      GLY  43  -9.336   8.512   8.512
  395   2HA   GLY  43           HA1      GLY  43 -10.489   8.636   8.636
  396    H    LYS  44            HN      LYS  44  -9.310   6.673   6.673
  397    HA   LYS  44            HA      LYS  44  -7.070   8.192   8.192
  398   1HB   LYS  44           HB2      LYS  44  -8.825   6.014   6.014
  399   2HB   LYS  44           HB1      LYS  44  -7.198   6.199   6.199
  400   1HG   LYS  44           HG2      LYS  44  -8.682   7.543   7.543
  401   2HG   LYS  44           HG1      LYS  44  -7.665   8.613   8.613
  402   1HD   LYS  44           HD2      LYS  44 -10.006   9.374   9.374
  403   2HD   LYS  44           HD1      LYS  44  -9.493   8.817   8.817
  404   1HE   LYS  44           HE2      LYS  44 -10.799   6.904   6.904
  405   2HE   LYS  44           HE1      LYS  44 -10.760   6.837   6.837
  406   1HZ   LYS  44           HZ2      LYS  44 -12.155   8.995   8.995
  407   2HZ   LYS  44           HZ1      LYS  44 -12.926   7.542   7.542
  408   3HZ   LYS  44           HZ3      LYS  44 -12.319   8.564   8.564
  409    H    ASP  45            HN      ASP  45  -5.221   6.850   6.850
  410    HA   ASP  45            HA      ASP  45  -4.685   4.470   4.470
  411   1HB   ASP  45           HB2      ASP  45  -3.469   5.206   5.206
  412   2HB   ASP  45           HB1      ASP  45  -4.530   6.586   6.586
  413    H    GLY  46            HN      GLY  46  -2.147   4.058   4.058
  414   1HA   GLY  46           HA2      GLY  46  -0.144   4.781   4.781
  415   2HA   GLY  46           HA1      GLY  46  -1.252   4.715   4.715
  416    H    PHE  47            HN      PHE  47   0.428   3.164   3.164
  417    HA   PHE  47            HA      PHE  47   0.604   0.592   0.592
  418   1HB   PHE  47           HB2      PHE  47   1.686   1.684   1.684
  419   2HB   PHE  47           HB1      PHE  47   1.852  -0.023  -0.023
  420    HD1  PHE  47           HD1      PHE  47   3.056  -0.691  -0.691
  421    HD2  PHE  47           HD2      PHE  47   3.008   3.361   3.361
  422    HE1  PHE  47           HE1      PHE  47   4.984  -0.154  -0.154
  423    HE2  PHE  47           HE2      PHE  47   4.936   3.898   3.898
  424    HZ   PHE  47            HZ      PHE  47   5.924   2.141   2.141
  425    H    ILE  48            HN      ILE  48   0.158  -1.485  -1.485
  426    HA   ILE  48            HA      ILE  48  -1.954  -1.279  -1.279
  427    HB   ILE  48            HB      ILE  48  -3.502  -2.770  -2.770
  428   1HG1  ILE  48          HG12      ILE  48  -1.727  -1.814  -1.814
  429   2HG1  ILE  48          HG11      ILE  48  -1.772  -3.464  -3.464
  430   1HG2  ILE  48          HG23      ILE  48  -3.660  -0.206  -0.206
  431   2HG2  ILE  48          HG22      ILE  48  -3.072  -0.115  -0.115
  432   3HG2  ILE  48          HG21      ILE  48  -4.590  -0.937  -0.937
  433   1HD1  ILE  48          HD11      ILE  48  -4.463  -2.783  -2.783
  434   2HD1  ILE  48          HD13      ILE  48  -3.557  -2.178  -2.178
  435   3HD1  ILE  48          HD12      ILE  48  -3.454  -3.880  -3.880
  436    HA   PRO  49            HA      PRO  49   0.334  -4.967  -4.967
  437   1HB   PRO  49           HB2      PRO  49  -1.315  -6.013  -6.013
  438   2HB   PRO  49           HB1      PRO  49  -0.110  -4.737  -4.737
  439   1HG   PRO  49           HG2      PRO  49  -3.098  -4.498  -4.498
  440   2HG   PRO  49           HG1      PRO  49  -1.976  -3.484  -3.484
  441   1HD   PRO  49           HD2      PRO  49  -3.042  -2.767  -2.767
  442   2HD   PRO  49           HD1      PRO  49  -1.604  -2.066  -2.066
  443    H    LYS  50            HN      LYS  50   0.328  -6.411  -6.411
  444    HA   LYS  50            HA      LYS  50  -1.778  -7.463  -7.463
  445   1HB   LYS  50           HB2      LYS  50   0.752  -7.543  -7.543
  446   2HB   LYS  50           HB1      LYS  50   0.720  -8.982  -8.982
  447   1HG   LYS  50           HG2      LYS  50  -0.689 -10.134 -10.134
  448   2HG   LYS  50           HG1      LYS  50  -0.986  -8.651  -8.651
  449   1HD   LYS  50           HD2      LYS  50   1.063  -8.736  -8.736
  450   2HD   LYS  50           HD1      LYS  50   1.884  -9.388  -9.388
  451   1HE   LYS  50           HE2      LYS  50   0.236 -11.476 -11.476
  452   2HE   LYS  50           HE1      LYS  50   0.587 -10.809 -10.809
  453   1HZ   LYS  50           HZ3      LYS  50   2.946 -10.910 -10.910
  454   2HZ   LYS  50           HZ2      LYS  50   2.598 -11.577 -11.577
  455   3HZ   LYS  50           HZ1      LYS  50   2.234 -12.445 -12.445
  456    H    ASN  51            HN      ASN  51  -0.955  -8.358  -8.358
  457    HA   ASN  51            HA      ASN  51  -1.803 -10.994 -10.994
  458   1HB   ASN  51           HB2      ASN  51  -1.327  -8.934  -8.934
  459   2HB   ASN  51           HB1      ASN  51  -2.268 -10.293 -10.293
  460   1HD2  ASN  51          HD22      ASN  51   0.884 -11.782 -11.782
  461   2HD2  ASN  51          HD21      ASN  51  -0.506 -11.080 -11.080
  462    H    TYR  52            HN      TYR  52  -3.488  -8.001  -8.001
  463    HA   TYR  52            HA      TYR  52  -6.088  -9.340  -9.340
  464   1HB   TYR  52           HB2      TYR  52  -5.181  -6.463  -6.463
  465   2HB   TYR  52           HB1      TYR  52  -6.878  -6.897  -6.897
  466    HD1  TYR  52           HD1      TYR  52  -3.740  -7.956  -7.956
  467    HD2  TYR  52           HD2      TYR  52  -7.844  -6.828  -6.828
  468    HE1  TYR  52           HE1      TYR  52  -3.649  -8.129  -8.129
  469    HE2  TYR  52           HE2      TYR  52  -7.755  -6.998  -6.998
  470    HH   TYR  52            HH      TYR  52  -6.500  -8.021  -8.021
  471    H    ILE  53            HN      ILE  53  -4.439  -9.467  -9.467
  472    HA   ILE  53            HA      ILE  53  -6.547  -8.742  -8.742
  473    HB   ILE  53            HB      ILE  53  -4.092  -7.718  -7.718
  474   1HG1  ILE  53          HG12      ILE  53  -5.267  -6.204  -6.204
  475   2HG1  ILE  53          HG11      ILE  53  -3.736  -7.071  -7.071
  476   1HG2  ILE  53          HG23      ILE  53  -6.521  -7.424  -7.424
  477   2HG2  ILE  53          HG22      ILE  53  -6.621  -6.187  -6.187
  478   3HG2  ILE  53          HG21      ILE  53  -5.459  -6.028  -6.028
  479   1HD1  ILE  53          HD13      ILE  53  -3.419  -5.591  -5.591
  480   2HD1  ILE  53          HD12      ILE  53  -4.420  -4.514  -4.514
  481   3HD1  ILE  53          HD11      ILE  53  -2.871  -5.079  -5.079
  482    H    GLU  54            HN      GLU  54  -5.865  -9.207  -9.207
  483    HA   GLU  54            HA      GLU  54  -3.826 -11.160 -11.160
  484   1HB   GLU  54           HB2      GLU  54  -6.683 -11.820 -11.820
  485   2HB   GLU  54           HB1      GLU  54  -5.763 -12.455 -12.455
  486   1HG   GLU  54           HG2      GLU  54  -4.571 -12.748 -12.748
  487   2HG   GLU  54           HG1      GLU  54  -5.935 -13.792 -13.792
  488    H    MET  55            HN      MET  55  -3.310 -11.280 -11.280
  489    HA   MET  55            HA      MET  55  -4.230  -8.872  -8.872
  490   1HB   MET  55           HB2      MET  55  -2.390  -9.617  -9.617
  491   2HB   MET  55           HB1      MET  55  -1.898  -8.968  -8.968
  492   1HG   MET  55           HG2      MET  55  -1.321 -11.063 -11.063
  493   2HG   MET  55           HG1      MET  55  -2.323 -11.918 -11.918
  494   1HE   MET  55           HE1      MET  55  -0.760 -13.431 -13.431
  495   2HE   MET  55           HE3      MET  55  -0.280 -13.488 -13.488
  496   3HE   MET  55           HE2      MET  55   0.940 -13.304 -13.304
  497    H    LYS  56            HN      LYS  56  -5.994  -9.076  -9.076
  498    HA   LYS  56            HA      LYS  56  -6.357 -11.463 -11.463
  499   1HB   LYS  56           HB2      LYS  56  -8.156  -9.707  -9.707
  500   2HB   LYS  56           HB1      LYS  56  -8.740 -10.413 -10.413
  501   1HG   LYS  56           HG2      LYS  56  -8.209 -12.642 -12.642
  502   2HG   LYS  56           HG1      LYS  56  -7.422 -11.972 -11.972
  503   1HD   LYS  56           HD2      LYS  56  -9.721 -12.835 -12.835
  504   2HD   LYS  56           HD1      LYS  56  -9.560 -11.112 -11.112
  505   1HE   LYS  56           HE2      LYS  56 -10.585 -10.576 -10.576
  506   2HE   LYS  56           HE1      LYS  56 -10.714 -12.294 -12.294
  507   1HZ   LYS  56           HZ1      LYS  56 -12.031 -12.464 -12.464
  508   2HZ   LYS  56           HZ3      LYS  56 -12.144 -10.773 -10.773
  509   3HZ   LYS  56           HZ2      LYS  56 -12.799 -11.703 -11.703
  510    HA   PRO  57            HA      PRO  57  -6.296  -9.019  -9.019
  511   1HB   PRO  57           HB2      PRO  57  -8.077 -10.273 -10.273
  512   2HB   PRO  57           HB1      PRO  57  -6.445 -10.874 -10.874
  513   1HG   PRO  57           HG2      PRO  57  -9.038 -11.822 -11.822
  514   2HG   PRO  57           HG1      PRO  57  -7.530 -12.696 -12.696
  515   1HD   PRO  57           HD2      PRO  57  -8.531 -11.689 -11.689
  516   2HD   PRO  57           HD1      PRO  57  -6.876 -12.266 -12.266
  517    H    HIS  58            HN      HIS  58  -8.267  -8.302  -8.302
  518    HA   HIS  58            HA      HIS  58 -10.457  -7.118  -7.118
  519   1HB   HIS  58           HB2      HIS  58 -10.185  -4.989  -4.989
  520   2HB   HIS  58           HB1      HIS  58  -8.886  -5.302  -5.302
  521    HD1  HIS  58           HD1      HIS  58  -9.464  -4.580  -4.580
  522    HD2  HIS  58           HD2      HIS  58  -6.557  -6.643  -6.643
  523    HE1  HIS  58           HE1      HIS  58  -7.458  -4.811  -4.811
  524    HA   PRO  59            HA      PRO  59 -12.757  -8.625  -8.625
  525   1HB   PRO  59           HB2      PRO  59 -15.182  -7.446  -7.446
  526   2HB   PRO  59           HB1      PRO  59 -14.575  -8.878  -8.878
  527   1HG   PRO  59           HG2      PRO  59 -14.752  -6.059  -6.059
  528   2HG   PRO  59           HG1      PRO  59 -14.739  -7.566  -7.566
  529   1HD   PRO  59           HD2      PRO  59 -12.537  -5.807  -5.807
  530   2HD   PRO  59           HD1      PRO  59 -12.471  -7.448  -7.448
  531    H    GLU  60            HN      GLU  60 -14.296  -5.449  -5.449
  532    HA   GLU  60            HA      GLU  60 -12.915  -4.191  -4.191
  533   1HB   GLU  60           HB2      GLU  60 -15.512  -5.554  -5.554
  534   2HB   GLU  60           HB1      GLU  60 -15.477  -3.890  -3.890
  535   1HG   GLU  60           HG2      GLU  60 -13.335  -4.459  -4.459
  536   2HG   GLU  60           HG1      GLU  60 -13.624  -6.147  -6.147
  537    H    PHE  61            HN      PHE  61 -16.262  -3.803  -3.803
  538    HA   PHE  61            HA      PHE  61 -15.404  -1.286  -1.286
  539   1HB   PHE  61           HB2      PHE  61 -17.560  -1.640  -1.640
  540   2HB   PHE  61           HB1      PHE  61 -17.689  -0.362  -0.362
  541    HD1  PHE  61           HD2      PHE  61 -15.842   1.343   1.343
  542    HD2  PHE  61           HD1      PHE  61 -16.042  -1.464  -1.464
  543    HE1  PHE  61           HE2      PHE  61 -14.268   2.743   2.743
  544    HE2  PHE  61           HE1      PHE  61 -14.467  -0.065  -0.065
  545    HZ   PHE  61            HZ      PHE  61 -13.580   2.040   2.040
  546    H    ILE  62            HN      ILE  62 -18.740  -2.466  -2.466
  547    HA   ILE  62            HA      ILE  62 -18.813  -3.695  -3.695
  548    HB   ILE  62            HB      ILE  62 -20.701  -2.119  -2.119
  549   1HG1  ILE  62          HG12      ILE  62 -19.421  -0.348  -0.348
  550   2HG1  ILE  62          HG11      ILE  62 -21.037  -1.042  -1.042
  551   1HG2  ILE  62          HG23      ILE  62 -18.204  -2.162  -2.162
  552   2HG2  ILE  62          HG22      ILE  62 -18.056  -0.694  -0.694
  553   3HG2  ILE  62          HG21      ILE  62 -19.171  -0.743  -0.743
  554   1HD1  ILE  62          HD13      ILE  62 -20.117   0.798   0.798
  555   2HD1  ILE  62          HD12      ILE  62 -21.042   1.325   1.325
  556   3HD1  ILE  62          HD11      ILE  62 -21.754   0.192   0.192
  557    H    VAL  63            HN      VAL  63 -20.703  -2.465  -2.465
  558    HA   VAL  63            HA      VAL  63 -22.548  -3.394  -3.394
  559    HB   VAL  63            HB      VAL  63 -21.635  -5.966  -5.966
  560   1HG1  VAL  63          HG12      VAL  63 -23.448  -5.273  -5.273
  561   2HG1  VAL  63          HG11      VAL  63 -22.606  -6.823  -6.823
  562   3HG1  VAL  63          HG13      VAL  63 -23.728  -6.399  -6.399
  563   1HG2  VAL  63          HG23      VAL  63 -19.846  -4.700  -4.700
  564   2HG2  VAL  63          HG22      VAL  63 -20.213  -6.303  -6.303
  565   3HG2  VAL  63          HG21      VAL  63 -20.856  -4.866  -4.866
  566    H    THR  64            HN      THR  64 -23.896  -2.124  -2.124
  567    HA   THR  64            HA      THR  64 -25.002  -3.471  -3.471
  568    HB   THR  64            HB      THR  64 -26.644  -1.429  -1.429
  569    HG1  THR  64           HG1      THR  64 -25.970   0.142   0.142
  570   1HG2  THR  64          HG21      THR  64 -23.673  -1.100  -1.100
  571   2HG2  THR  64          HG23      THR  64 -24.921   0.022   0.022
  572   3HG2  THR  64          HG22      THR  64 -24.871  -1.619  -1.619
  573    H    ASP  65            HN      ASP  65 -26.695  -2.094  -2.094
  574    HA   ASP  65            HA      ASP  65 -28.110  -4.612  -4.612
  575   1HB   ASP  65           HB2      ASP  65 -29.412  -2.289  -2.289
  576   2HB   ASP  65           HB1      ASP  65 -30.364  -3.280  -3.280
  577   1H    SER   1           HT2      SER   1  -4.884 -19.492 -19.492
  578   2H    SER   1           HT1      SER   1  -3.395 -19.959 -19.959
  579   3H    SER   1           HT3      SER   1  -4.708 -19.604 -19.604
  580    HA   SER   1            HA      SER   1  -4.531 -17.356 -17.356
  581   1HB   SER   1           HB2      SER   1  -1.662 -17.969 -17.969
  582   2HB   SER   1           HB1      SER   1  -2.326 -16.836 -16.836
  583    HG   SER   1            HG      SER   1  -1.678 -18.523 -18.523
  584    HA   PRO   2            HA      PRO   2  -4.310 -17.032 -17.032
  585   1HB   PRO   2           HB2      PRO   2  -6.682 -15.676 -15.676
  586   2HB   PRO   2           HB1      PRO   2  -6.557 -17.445 -17.445
  587   1HG   PRO   2           HG2      PRO   2  -7.585 -15.630 -15.630
  588   2HG   PRO   2           HG1      PRO   2  -7.995 -17.323 -17.323
  589   1HD   PRO   2           HD2      PRO   2  -6.240 -16.410 -16.410
  590   2HD   PRO   2           HD1      PRO   2  -6.401 -18.088 -18.088
  591    H    LEU   3            HN      LEU   3  -5.890 -14.443 -14.443
  592    HA   LEU   3            HA      LEU   3  -5.418 -12.146 -12.146
  593   1HB   LEU   3           HB2      LEU   3  -3.060 -13.457 -13.457
  594   2HB   LEU   3           HB1      LEU   3  -2.605 -12.440 -12.440
  595    HG   LEU   3            HG      LEU   3  -4.058 -11.360 -11.360
  596   1HD1  LEU   3          HD11      LEU   3  -1.100 -11.669 -11.669
  597   2HD1  LEU   3          HD13      LEU   3  -1.723 -10.446 -10.446
  598   3HD1  LEU   3          HD12      LEU   3  -2.001 -12.156 -12.156
  599   1HD2  LEU   3          HD22      LEU   3  -3.986 -10.151 -10.151
  600   2HD2  LEU   3          HD21      LEU   3  -3.501  -9.228  -9.228
  601   3HD2  LEU   3          HD23      LEU   3  -2.275  -9.896  -9.896
  602    H    LEU   4            HN      LEU   4  -6.622 -11.402 -11.402
  603    HA   LEU   4            HA      LEU   4  -5.566 -11.589 -11.589
  604   1HB   LEU   4           HB2      LEU   4  -8.082 -10.989 -10.989
  605   2HB   LEU   4           HB1      LEU   4  -7.617  -9.561  -9.561
  606    HG   LEU   4            HG      LEU   4  -7.672 -12.401 -12.401
  607   1HD1  LEU   4          HD11      LEU   4  -9.658 -10.202 -10.202
  608   2HD1  LEU   4          HD13      LEU   4  -9.462 -10.960 -10.960
  609   3HD1  LEU   4          HD12      LEU   4  -9.909 -11.939 -11.939
  610   1HD2  LEU   4          HD21      LEU   4  -6.690  -9.784  -9.784
  611   2HD2  LEU   4          HD23      LEU   4  -6.113 -11.415 -11.415
  612   3HD2  LEU   4          HD22      LEU   4  -7.568 -10.813 -10.813
  613    HA   PRO   5            HA      PRO   5  -4.718  -6.910  -6.910
  614   1HB   PRO   5           HB2      PRO   5  -5.061  -5.780  -5.780
  615   2HB   PRO   5           HB1      PRO   5  -6.327  -5.836  -5.836
  616   1HG   PRO   5           HG2      PRO   5  -6.054  -7.479  -7.479
  617   2HG   PRO   5           HG1      PRO   5  -7.519  -7.011  -7.011
  618   1HD   PRO   5           HD2      PRO   5  -6.271  -9.533  -9.533
  619   2HD   PRO   5           HD1      PRO   5  -7.485  -8.920  -8.920
  620    H    LYS   6            HN      LYS   6  -3.206  -5.496  -5.496
  621    HA   LYS   6            HA      LYS   6  -1.137  -5.434  -5.434
  622   1HB   LYS   6           HB2      LYS   6  -2.328  -7.707  -7.707
  623   2HB   LYS   6           HB1      LYS   6  -0.820  -8.341  -8.341
  624   1HG   LYS   6           HG2      LYS   6  -0.888  -5.866  -5.866
  625   2HG   LYS   6           HG1      LYS   6  -0.749  -7.483  -7.483
  626   1HD   LYS   6           HD2      LYS   6   1.259  -7.889  -7.889
  627   2HD   LYS   6           HD1      LYS   6   1.139  -6.240  -6.240
  628   1HE   LYS   6           HE2      LYS   6   2.696  -6.055  -6.055
  629   2HE   LYS   6           HE1      LYS   6   1.180  -5.522  -5.522
  630   1HZ   LYS   6           HZ3      LYS   6   2.159  -8.317  -8.317
  631   2HZ   LYS   6           HZ2      LYS   6   2.473  -7.158  -7.158
  632   3HZ   LYS   6           HZ1      LYS   6   0.875  -7.629  -7.629
  633    H    LEU   7            HN      LEU   7  -0.105  -4.865  -4.865
  634    HA   LEU   7            HA      LEU   7   1.408  -7.114  -7.114
  635   1HB   LEU   7           HB2      LEU   7  -0.368  -5.166  -5.166
  636   2HB   LEU   7           HB1      LEU   7   1.259  -4.998  -4.998
  637    HG   LEU   7            HG      LEU   7   1.314  -7.369  -7.369
  638   1HD1  LEU   7          HD11      LEU   7  -1.415  -7.466  -7.466
  639   2HD1  LEU   7          HD13      LEU   7  -0.776  -8.753  -8.753
  640   3HD1  LEU   7          HD12      LEU   7   0.037  -8.345  -8.345
  641   1HD2  LEU   7          HD21      LEU   7  -0.852  -5.572  -5.572
  642   2HD2  LEU   7          HD23      LEU   7   0.393  -6.412  -6.412
  643   3HD2  LEU   7          HD22      LEU   7  -1.063  -7.274  -7.274
  644    HA   PRO   8            HA      PRO   8   4.352  -4.032  -4.032
  645   1HB   PRO   8           HB2      PRO   8   5.884  -5.836  -5.836
  646   2HB   PRO   8           HB1      PRO   8   4.439  -5.061  -5.061
  647   1HG   PRO   8           HG2      PRO   8   4.787  -7.872  -7.872
  648   2HG   PRO   8           HG1      PRO   8   3.628  -7.217  -7.217
  649   1HD   PRO   8           HD2      PRO   8   3.090  -7.877  -7.877
  650   2HD   PRO   8           HD1      PRO   8   2.017  -7.004  -7.004
  651    HA   PRO   9            HA      PRO   9   7.090  -5.531  -5.531
  652   1HB   PRO   9           HB2      PRO   9   8.112  -3.070  -3.070
  653   2HB   PRO   9           HB1      PRO   9   6.564  -3.680  -3.680
  654   1HG   PRO   9           HG2      PRO   9   7.066  -1.592  -1.592
  655   2HG   PRO   9           HG1      PRO   9   5.656  -1.810  -1.810
  656   1HD   PRO   9           HD2      PRO   9   5.836  -2.551  -2.551
  657   2HD   PRO   9           HD1      PRO   9   4.549  -3.013  -3.013
  658    H    LYS  10            HN      LYS  10   8.723  -6.594  -6.594
  659    HA   LYS  10            HA      LYS  10  11.060  -4.965  -4.965
  660   1HB   LYS  10           HB2      LYS  10   9.283  -6.313  -6.313
  661   2HB   LYS  10           HB1      LYS  10  11.023  -6.342  -6.342
  662   1HG   LYS  10           HG2      LYS  10  11.017  -3.830  -3.830
  663   2HG   LYS  10           HG1      LYS  10   9.256  -3.908  -3.908
  664   1HD   LYS  10           HD2      LYS  10   9.520  -3.600  -3.600
  665   2HD   LYS  10           HD1      LYS  10   9.865  -5.329  -5.329
  666   1HE   LYS  10           HE2      LYS  10  12.236  -4.941  -4.941
  667   2HE   LYS  10           HE1      LYS  10  12.003  -3.222  -3.222
  668   1HZ   LYS  10           HZ1      LYS  10  10.702  -3.322  -3.322
  669   2HZ   LYS  10           HZ3      LYS  10  11.629  -4.716  -4.716
  670   3HZ   LYS  10           HZ2      LYS  10  12.398  -3.223  -3.223
  671    H    THR  11            HN      THR  11  12.971  -6.318  -6.318
  672    HA   THR  11            HA      THR  11  12.778  -9.210  -9.210
  673    HB   THR  11            HB      THR  11  14.119  -7.556  -7.556
  674    HG1  THR  11           HG1      THR  11  12.285  -7.618  -7.618
  675   1HG2  THR  11          HG23      THR  11  13.922 -10.466 -10.466
  676   2HG2  THR  11          HG22      THR  11  13.901  -9.989  -9.989
  677   3HG2  THR  11          HG21      THR  11  15.273  -9.557  -9.557
  678    H    TYR  12            HN      TYR  12  15.302  -6.780  -6.780
  679    HA   TYR  12            HA      TYR  12  16.811  -7.494  -7.494
  680   1HB   TYR  12           HB2      TYR  12  17.388  -9.255  -9.255
  681   2HB   TYR  12           HB1      TYR  12  18.061  -7.962  -7.962
  682    HD1  TYR  12           HD1      TYR  12  18.171  -8.916  -8.916
  683    HD2  TYR  12           HD2      TYR  12  20.375  -7.778  -7.778
  684    HE1  TYR  12           HE1      TYR  12  20.286  -9.023  -9.023
  685    HE2  TYR  12           HE2      TYR  12  22.490  -7.884  -7.884
  686    HH   TYR  12            HH      TYR  12  23.326  -9.055  -9.055
  687    H    LYS  13            HN      LYS  13  17.597  -6.098  -6.098
  688    HA   LYS  13            HA      LYS  13  18.372  -3.970  -3.970
  689   1HB   LYS  13           HB2      LYS  13  16.415  -3.548  -3.548
  690   2HB   LYS  13           HB1      LYS  13  17.739  -2.418  -2.418
  691   1HG   LYS  13           HG2      LYS  13  16.415  -2.807  -2.807
  692   2HG   LYS  13           HG1      LYS  13  15.928  -1.561  -1.561
  693   1HD   LYS  13           HD2      LYS  13  17.799  -0.297  -0.297
  694   2HD   LYS  13           HD1      LYS  13  18.836  -1.709  -1.709
  695   1HE   LYS  13           HE2      LYS  13  18.787  -1.214  -1.214
  696   2HE   LYS  13           HE1      LYS  13  17.152  -1.873  -1.873
  697   1HZ   LYS  13           HZ1      LYS  13  16.346   0.371   0.371
  698   2HZ   LYS  13           HZ3      LYS  13  17.924   0.967   0.967
  699   3HZ   LYS  13           HZ2      LYS  13  17.110   0.307   0.307
  700    H    ARG  14            HN      ARG  14  20.377  -3.047  -3.047
  701    HA   ARG  14            HA      ARG  14  22.227  -3.994  -3.994
  702   1HB   ARG  14           HB2      ARG  14  22.803  -3.524  -3.524
  703   2HB   ARG  14           HB1      ARG  14  22.719  -1.808  -1.808
  704   1HG   ARG  14           HG2      ARG  14  24.348  -2.453  -2.453
  705   2HG   ARG  14           HG1      ARG  14  24.676  -3.878  -3.878
  706   1HD   ARG  14           HD2      ARG  14  24.989  -2.167  -2.167
  707   2HD   ARG  14           HD1      ARG  14  25.173  -0.981  -0.981
  708    HE   ARG  14            HE      ARG  14  26.866  -3.281  -3.281
  709   1HH1  ARG  14          HH11      ARG  14  26.996  -0.027  -0.027
  710   2HH1  ARG  14          HH12      ARG  14  28.458   0.059   0.059
  711   1HH2  ARG  14          HH21      ARG  14  28.543  -3.339  -3.339
  712   2HH2  ARG  14          HH22      ARG  14  29.333  -1.815  -1.815
  713    H    GLU  15            HN      GLU  15  23.237  -2.711  -2.711
  714    HA   GLU  15            HA      GLU  15  22.502   0.108   0.108
  715   1HB   GLU  15           HB2      GLU  15  21.470  -0.275  -0.275
  716   2HB   GLU  15           HB1      GLU  15  20.500  -0.916  -0.916
  717   1HG   GLU  15           HG2      GLU  15  21.148  -3.149  -3.149
  718   2HG   GLU  15           HG1      GLU  15  22.509  -2.639  -2.639

  Start of MODEL   26
    1   1H    GLY  -8           HT3      GLY  -8  16.221 -12.249 -12.249
    2   2H    GLY  -8           HT2      GLY  -8  14.927 -13.062 -13.062
    3   3H    GLY  -8           HT1      GLY  -8  16.360 -13.900 -13.900
    4   1HA   GLY  -8           HA1      GLY  -8  17.332 -12.261 -12.261
    5   2HA   GLY  -8           HA2      GLY  -8  16.568 -13.655 -13.655
    6    H    SER  -7            HN      SER  -7  14.681 -11.069 -11.069
    7    HA   SER  -7            HA      SER  -7  15.542  -8.773  -8.773
    8   1HB   SER  -7           HB2      SER  -7  14.655 -10.082 -10.082
    9   2HB   SER  -7           HB1      SER  -7  13.158 -10.378 -10.378
   10    HG   SER  -7            HG      SER  -7  13.713  -8.366  -8.366
   11    H    ARG  -6            HN      ARG  -6  14.867  -7.083  -7.083
   12    HA   ARG  -6            HA      ARG  -6  12.377  -7.432  -7.432
   13   1HB   ARG  -6           HB2      ARG  -6  14.988  -6.057  -6.057
   14   2HB   ARG  -6           HB1      ARG  -6  13.527  -5.404  -5.404
   15   1HG   ARG  -6           HG2      ARG  -6  13.205  -7.258  -7.258
   16   2HG   ARG  -6           HG1      ARG  -6  13.964  -8.352  -8.352
   17   1HD   ARG  -6           HD2      ARG  -6  16.177  -7.391  -7.391
   18   2HD   ARG  -6           HD1      ARG  -6  15.411  -6.328  -6.328
   19    HE   ARG  -6            HE      ARG  -6  14.903  -9.198  -9.198
   20   1HH1  ARG  -6          HH11      ARG  -6  14.597  -7.933  -7.933
   21   2HH1  ARG  -6          HH12      ARG  -6  16.159  -7.875  -7.875
   22   1HH2  ARG  -6          HH21      ARG  -6  17.883  -8.473  -8.473
   23   2HH2  ARG  -6          HH22      ARG  -6  18.019  -8.180  -8.180
   24    H    ARG  -5            HN      ARG  -5  10.717  -6.373  -6.373
   25    HA   ARG  -5            HA      ARG  -5  11.192  -3.580  -3.580
   26   1HB   ARG  -5           HB2      ARG  -5   9.739  -5.723  -5.723
   27   2HB   ARG  -5           HB1      ARG  -5   9.791  -4.012  -4.012
   28   1HG   ARG  -5           HG2      ARG  -5  12.266  -4.134  -4.134
   29   2HG   ARG  -5           HG1      ARG  -5  12.186  -5.857  -5.857
   30   1HD   ARG  -5           HD2      ARG  -5  11.070  -6.354  -6.354
   31   2HD   ARG  -5           HD1      ARG  -5  10.684  -4.658  -4.658
   32    HE   ARG  -5            HE      ARG  -5  13.505  -5.651  -5.651
   33   1HH1  ARG  -5          HH11      ARG  -5  14.002  -3.093  -3.093
   34   2HH1  ARG  -5          HH12      ARG  -5  13.506  -2.747  -2.747
   35   1HH2  ARG  -5          HH21      ARG  -5  11.484  -5.552  -5.552
   36   2HH2  ARG  -5          HH22      ARG  -5  12.077  -4.136  -4.136
   37    H    ALA  -4            HN      ALA  -4  10.011  -2.713  -2.713
   38    HA   ALA  -4            HA      ALA  -4   7.364  -3.785  -3.785
   39   1HB   ALA  -4           HB1      ALA  -4   8.835  -1.305  -1.305
   40   2HB   ALA  -4           HB3      ALA  -4   7.316  -1.897  -1.897
   41   3HB   ALA  -4           HB2      ALA  -4   8.784  -2.863  -2.863
   42    H    SER  -3            HN      SER  -3   5.383  -2.587  -2.587
   43    HA   SER  -3            HA      SER  -3   5.458  -0.197  -0.197
   44   1HB   SER  -3           HB2      SER  -3   5.257  -2.553  -2.553
   45   2HB   SER  -3           HB1      SER  -3   3.562  -2.342  -2.342
   46    HG   SER  -3            HG      SER  -3   4.781  -1.272  -1.272
   47    H    VAL  -2            HN      VAL  -2   2.806   0.091   0.091
   48    HA   VAL  -2            HA      VAL  -2   1.695   0.665   0.665
   49    HB   VAL  -2            HB      VAL  -2  -0.203   1.630   1.630
   50   1HG1  VAL  -2          HG13      VAL  -2   2.087   2.777   2.777
   51   2HG1  VAL  -2          HG12      VAL  -2   2.384   2.572   2.572
   52   3HG1  VAL  -2          HG11      VAL  -2   1.008   3.527   3.527
   53   1HG2  VAL  -2          HG23      VAL  -2   0.419  -0.134  -0.134
   54   2HG2  VAL  -2          HG22      VAL  -2  -0.365   1.401   1.401
   55   3HG2  VAL  -2          HG21      VAL  -2   1.377   1.226   1.226
   56    H    GLY  -1            HN      GLY  -1  -0.963   0.209   0.209
   57   1HA   GLY  -1           HA2      GLY  -1  -2.630  -1.521  -1.521
   58   2HA   GLY  -1           HA1      GLY  -1  -1.314  -2.671  -2.671
   59    H    SER   0            HN      SER   0  -2.829  -0.653  -0.653
   60    HA   SER   0            HA      SER   0  -1.524  -2.031  -2.031
   61   1HB   SER   0           HB2      SER   0  -3.783  -0.075  -0.075
   62   2HB   SER   0           HB1      SER   0  -3.568  -0.947  -0.947
   63    HG   SER   0            HG      SER   0  -1.313  -0.218  -0.218
   64    H    MET   1            HN      MET   1  -2.703  -3.298  -3.298
   65    HA   MET   1            HA      MET   1  -4.901  -4.926  -4.926
   66   1HB   MET   1           HB2      MET   1  -2.409  -5.737  -5.737
   67   2HB   MET   1           HB1      MET   1  -3.873  -6.678  -6.678
   68   1HG   MET   1           HG2      MET   1  -4.037  -7.396  -7.396
   69   2HG   MET   1           HG1      MET   1  -3.161  -6.006  -6.006
   70   1HE   MET   1           HE3      MET   1  -1.328  -5.924  -5.924
   71   2HE   MET   1           HE2      MET   1   0.181  -6.749  -6.749
   72   3HE   MET   1           HE1      MET   1  -0.981  -7.511  -7.511
   73    H    GLU   2            HN      GLU   2  -5.727  -6.310  -6.310
   74    HA   GLU   2            HA      GLU   2  -6.324  -4.191  -4.191
   75   1HB   GLU   2           HB2      GLU   2  -8.083  -5.547  -5.547
   76   2HB   GLU   2           HB1      GLU   2  -8.332  -6.268  -6.268
   77   1HG   GLU   2           HG2      GLU   2  -9.002  -4.242  -4.242
   78   2HG   GLU   2           HG1      GLU   2  -8.203  -3.280  -3.280
   79    H    ALA   3            HN      ALA   3  -7.211  -5.439  -5.439
   80    HA   ALA   3            HA      ALA   3  -6.073  -8.070  -8.070
   81   1HB   ALA   3           HB3      ALA   3  -4.511  -5.837  -5.837
   82   2HB   ALA   3           HB2      ALA   3  -5.032  -6.436  -6.436
   83   3HB   ALA   3           HB1      ALA   3  -4.190  -7.510  -7.510
   84    H    ILE   4            HN      ILE   4  -7.629  -9.050  -9.050
   85    HA   ILE   4            HA      ILE   4  -9.839  -7.908  -7.908
   86    HB   ILE   4            HB      ILE   4  -9.964 -10.098 -10.098
   87   1HG1  ILE   4          HG12      ILE   4 -10.068 -11.030 -11.030
   88   2HG1  ILE   4          HG11      ILE   4 -10.837  -9.455  -9.455
   89   1HG2  ILE   4          HG23      ILE   4  -7.493 -10.484 -10.484
   90   2HG2  ILE   4          HG22      ILE   4  -8.606 -11.849 -11.849
   91   3HG2  ILE   4          HG21      ILE   4  -8.035 -11.250 -11.250
   92   1HD1  ILE   4          HD13      ILE   4 -11.383 -11.891 -11.891
   93   2HD1  ILE   4          HD12      ILE   4 -12.407 -11.303 -11.303
   94   3HD1  ILE   4          HD11      ILE   4 -12.176 -10.324 -10.324
   95    H    ALA   5            HN      ALA   5 -10.002  -6.912  -6.912
   96    HA   ALA   5            HA      ALA   5  -7.970  -7.068  -7.068
   97   1HB   ALA   5           HB1      ALA   5 -10.705  -5.764  -5.764
   98   2HB   ALA   5           HB3      ALA   5  -9.725  -5.734  -5.734
   99   3HB   ALA   5           HB2      ALA   5  -9.129  -4.972  -4.972
  100    H    LYS   6            HN      LYS   6  -7.896  -9.048  -9.048
  101    HA   LYS   6            HA      LYS   6 -10.076 -10.864 -10.864
  102   1HB   LYS   6           HB2      LYS   6  -7.520 -10.729 -10.729
  103   2HB   LYS   6           HB1      LYS   6  -8.577 -12.131 -12.131
  104   1HG   LYS   6           HG2      LYS   6  -8.045 -12.392 -12.392
  105   2HG   LYS   6           HG1      LYS   6  -7.335 -10.785 -10.785
  106   1HD   LYS   6           HD2      LYS   6  -5.541 -12.401 -12.401
  107   2HD   LYS   6           HD1      LYS   6  -5.560 -11.523 -11.523
  108   1HE   LYS   6           HE2      LYS   6  -6.871 -13.373 -13.373
  109   2HE   LYS   6           HE1      LYS   6  -6.792 -14.251 -14.251
  110   1HZ   LYS   6           HZ3      LYS   6  -4.413 -13.363 -13.363
  111   2HZ   LYS   6           HZ2      LYS   6  -5.079 -14.924 -14.924
  112   3HZ   LYS   6           HZ1      LYS   6  -4.428 -14.359 -14.359
  113    H    TYR   7            HN      TYR   7  -9.013  -8.165  -8.165
  114    HA   TYR   7            HA      TYR   7 -11.308  -8.596  -8.596
  115   1HB   TYR   7           HB2      TYR   7  -8.547  -8.153  -8.153
  116   2HB   TYR   7           HB1      TYR   7 -10.032  -8.527  -8.527
  117    HD1  TYR   7           HD2      TYR   7  -7.447  -9.873  -9.873
  118    HD2  TYR   7           HD1      TYR   7 -10.837 -10.799 -10.799
  119    HE1  TYR   7           HE2      TYR   7  -6.909 -12.282 -12.282
  120    HE2  TYR   7           HE1      TYR   7 -10.307 -13.218 -13.218
  121    HH   TYR   7            HH      TYR   7  -9.101 -14.734 -14.734
  122    H    ASP   8            HN      ASP   8 -10.964  -6.731  -6.731
  123    HA   ASP   8            HA      ASP   8 -11.008  -4.262  -4.262
  124   1HB   ASP   8           HB2      ASP   8 -12.210  -3.335  -3.335
  125   2HB   ASP   8           HB1      ASP   8 -12.839  -4.963  -4.963
  126    H    PHE   9            HN      PHE   9 -10.015  -2.282  -2.282
  127    HA   PHE   9            HA      PHE   9  -7.949  -2.424  -2.424
  128   1HB   PHE   9           HB2      PHE   9  -7.131  -3.709  -3.709
  129   2HB   PHE   9           HB1      PHE   9  -6.419  -2.103  -2.103
  130    HD1  PHE   9           HD1      PHE   9  -7.110  -4.368  -4.368
  131    HD2  PHE   9           HD2      PHE   9  -4.191  -2.137  -2.137
  132    HE1  PHE   9           HE1      PHE   9  -5.365  -5.003  -5.003
  133    HE2  PHE   9           HE2      PHE   9  -2.446  -2.765  -2.765
  134    HZ   PHE   9            HZ      PHE   9  -3.034  -4.199  -4.199
  135    H    LYS  10            HN      LYS  10  -6.296  -0.503  -0.503
  136    HA   LYS  10            HA      LYS  10  -7.504   1.723   1.723
  137   1HB   LYS  10           HB2      LYS  10  -8.080   1.464   1.464
  138   2HB   LYS  10           HB1      LYS  10  -6.761   2.633   2.633
  139   1HG   LYS  10           HG2      LYS  10  -7.980   4.083   4.083
  140   2HG   LYS  10           HG1      LYS  10  -9.202   2.848   2.848
  141   1HD   LYS  10           HD2      LYS  10 -10.136   4.409   4.409
  142   2HD   LYS  10           HD1      LYS  10  -9.781   2.913   2.913
  143   1HE   LYS  10           HE2      LYS  10  -7.556   3.931   3.931
  144   2HE   LYS  10           HE1      LYS  10  -8.141   5.457   5.457
  145   1HZ   LYS  10           HZ3      LYS  10 -10.171   4.970   4.970
  146   2HZ   LYS  10           HZ2      LYS  10  -9.081   3.974   3.974
  147   3HZ   LYS  10           HZ1      LYS  10  -8.761   5.633   5.633
  148    H    ALA  11            HN      ALA  11  -6.050   3.518   3.518
  149    HA   ALA  11            HA      ALA  11  -3.413   2.647   2.647
  150   1HB   ALA  11           HB2      ALA  11  -4.453   5.464   5.464
  151   2HB   ALA  11           HB1      ALA  11  -2.876   5.027   5.027
  152   3HB   ALA  11           HB3      ALA  11  -4.367   4.538   4.538
  153    H    THR  12            HN      THR  12  -1.617   2.612   2.612
  154    HA   THR  12            HA      THR  12  -2.046   3.614   3.614
  155    HB   THR  12            HB      THR  12   0.092   2.252   2.252
  156    HG1  THR  12           HG1      THR  12   0.375   0.613   0.613
  157   1HG2  THR  12          HG22      THR  12  -2.620   1.255   1.255
  158   2HG2  THR  12          HG21      THR  12  -1.357   0.037   0.037
  159   3HG2  THR  12          HG23      THR  12  -1.722   1.119   1.119
  160    H    ALA  13            HN      ALA  13   0.659   3.446   3.446
  161    HA   ALA  13            HA      ALA  13   2.111   5.636   5.636
  162   1HB   ALA  13           HB2      ALA  13   2.249   4.387   4.387
  163   2HB   ALA  13           HB1      ALA  13   3.366   5.622   5.622
  164   3HB   ALA  13           HB3      ALA  13   3.309   4.047   4.047
  165    H    ASP  14            HN      ASP  14   2.699   7.424   7.424
  166    HA   ASP  14            HA      ASP  14   0.187   8.883   8.883
  167   1HB   ASP  14           HB2      ASP  14   2.399   9.705   9.705
  168   2HB   ASP  14           HB1      ASP  14   2.936   9.855   9.855
  169    H    ASP  15            HN      ASP  15   1.236   6.599   6.599
  170    HA   ASP  15            HA      ASP  15   0.440   7.944   7.944
  171   1HB   ASP  15           HB2      ASP  15   3.156   6.962   6.962
  172   2HB   ASP  15           HB1      ASP  15   2.506   6.586   6.586
  173    H    GLU  16            HN      GLU  16  -0.440   5.654   5.654
  174    HA   GLU  16            HA      GLU  16  -0.379   3.369   3.369
  175   1HB   GLU  16           HB2      GLU  16  -1.756   3.438   3.438
  176   2HB   GLU  16           HB1      GLU  16  -1.250   2.024   2.024
  177   1HG   GLU  16           HG2      GLU  16   1.117   3.259   3.259
  178   2HG   GLU  16           HG1      GLU  16   0.342   3.882   3.882
  179    H    LEU  17            HN      LEU  17  -2.722   2.150   2.150
  180    HA   LEU  17            HA      LEU  17  -4.808   4.112   4.112
  181   1HB   LEU  17           HB2      LEU  17  -3.885   3.298   3.298
  182   2HB   LEU  17           HB1      LEU  17  -4.025   1.638   1.638
  183    HG   LEU  17            HG      LEU  17  -6.574   2.124   2.124
  184   1HD1  LEU  17          HD12      LEU  17  -5.652   4.684   4.684
  185   2HD1  LEU  17          HD11      LEU  17  -6.535   4.010   4.010
  186   3HD1  LEU  17          HD13      LEU  17  -7.322   4.155   4.155
  187   1HD2  LEU  17          HD21      LEU  17  -4.879   1.566   1.566
  188   2HD2  LEU  17          HD23      LEU  17  -6.247   0.658   0.658
  189   3HD2  LEU  17          HD22      LEU  17  -6.530   2.068   2.068
  190    H    SER  18            HN      SER  18  -6.817   3.651   3.651
  191    HA   SER  18            HA      SER  18  -7.110   1.387   1.387
  192   1HB   SER  18           HB2      SER  18  -9.233   2.630   2.630
  193   2HB   SER  18           HB1      SER  18  -7.798   3.541   3.541
  194    HG   SER  18            HG      SER  18  -9.009   4.877   4.877
  195    H    PHE  19            HN      PHE  19  -9.377   0.342   0.342
  196    HA   PHE  19            HA      PHE  19 -10.983   0.284   0.284
  197   1HB   PHE  19           HB2      PHE  19 -10.229  -1.896  -1.896
  198   2HB   PHE  19           HB1      PHE  19  -9.070  -0.585  -0.585
  199    HD1  PHE  19           HD2      PHE  19  -9.860  -3.586  -3.586
  200    HD2  PHE  19           HD1      PHE  19  -6.892  -0.660  -0.660
  201    HE1  PHE  19           HE2      PHE  19  -8.119  -4.930  -4.930
  202    HE2  PHE  19           HE1      PHE  19  -5.157  -2.001  -2.001
  203    HZ   PHE  19            HZ      PHE  19  -5.771  -4.137  -4.137
  204    H    LYS  20            HN      LYS  20 -12.305  -1.856  -1.856
  205    HA   LYS  20            HA      LYS  20 -12.621  -2.784  -2.784
  206   1HB   LYS  20           HB2      LYS  20 -14.723  -2.643  -2.643
  207   2HB   LYS  20           HB1      LYS  20 -14.989  -3.028  -3.028
  208   1HG   LYS  20           HG2      LYS  20 -13.560  -0.519  -0.519
  209   2HG   LYS  20           HG1      LYS  20 -15.058  -0.483  -0.483
  210   1HD   LYS  20           HD2      LYS  20 -15.814  -1.685  -1.685
  211   2HD   LYS  20           HD1      LYS  20 -14.664  -0.449  -0.449
  212   1HE   LYS  20           HE2      LYS  20 -17.004   0.415   0.415
  213   2HE   LYS  20           HE1      LYS  20 -15.925   1.269   1.269
  214   1HZ   LYS  20           HZ3      LYS  20 -17.352  -1.086  -1.086
  215   2HZ   LYS  20           HZ2      LYS  20 -18.231   0.353   0.353
  216   3HZ   LYS  20           HZ1      LYS  20 -16.877   0.320   0.320
  217    H    ARG  21            HN      ARG  21 -13.915  -4.946  -4.946
  218    HA   ARG  21            HA      ARG  21 -12.300  -6.917  -6.917
  219   1HB   ARG  21           HB2      ARG  21 -13.321  -7.230  -7.230
  220   2HB   ARG  21           HB1      ARG  21 -14.920  -7.186  -7.186
  221   1HG   ARG  21           HG2      ARG  21 -14.587  -9.233  -9.233
  222   2HG   ARG  21           HG1      ARG  21 -12.831  -9.160  -9.160
  223   1HD   ARG  21           HD2      ARG  21 -12.916 -10.058 -10.058
  224   2HD   ARG  21           HD1      ARG  21 -14.275  -9.035  -9.035
  225    HE   ARG  21            HE      ARG  21 -15.788 -10.709 -10.709
  226   1HH1  ARG  21          HH21      ARG  21 -14.885 -12.204 -12.204
  227   2HH1  ARG  21          HH22      ARG  21 -14.077 -13.588 -13.588
  228   1HH2  ARG  21          HH11      ARG  21 -13.688 -12.198 -12.198
  229   2HH2  ARG  21          HH12      ARG  21 -13.401 -13.586 -13.586
  230    H    GLY  22            HN      GLY  22 -12.537  -7.039  -7.039
  231   1HA   GLY  22           HA2      GLY  22 -13.872  -8.130  -8.130
  232   2HA   GLY  22           HA1      GLY  22 -15.304  -7.383  -7.383
  233    H    ASP  23            HN      ASP  23 -12.766  -5.156  -5.156
  234    HA   ASP  23            HA      ASP  23 -13.825  -3.771  -3.771
  235   1HB   ASP  23           HB2      ASP  23 -13.069  -2.950  -2.950
  236   2HB   ASP  23           HB1      ASP  23 -11.861  -2.290  -2.290
  237    H    ILE  24            HN      ILE  24 -12.737  -4.722  -4.722
  238    HA   ILE  24            HA      ILE  24  -9.944  -5.380  -5.380
  239    HB   ILE  24            HB      ILE  24 -11.425  -4.826  -4.826
  240   1HG1  ILE  24          HG12      ILE  24 -11.746  -7.151  -7.151
  241   2HG1  ILE  24          HG11      ILE  24 -13.015  -6.193  -6.193
  242   1HG2  ILE  24          HG22      ILE  24  -8.877  -5.549  -5.549
  243   2HG2  ILE  24          HG21      ILE  24  -9.610  -7.147  -7.147
  244   3HG2  ILE  24          HG23      ILE  24  -9.758  -6.129  -6.129
  245   1HD1  ILE  24          HD11      ILE  24 -11.804  -7.206  -7.206
  246   2HD1  ILE  24          HD13      ILE  24 -11.511  -8.512  -8.512
  247   3HD1  ILE  24          HD12      ILE  24 -13.161  -7.989  -7.989
  248    H    LEU  25            HN      LEU  25  -8.185  -4.215  -4.215
  249    HA   LEU  25            HA      LEU  25  -8.606  -1.295  -1.295
  250   1HB   LEU  25           HB2      LEU  25  -5.973  -2.747  -2.747
  251   2HB   LEU  25           HB1      LEU  25  -6.304  -1.041  -1.041
  252    HG   LEU  25            HG      LEU  25  -6.276  -1.975  -1.975
  253   1HD1  LEU  25          HD11      LEU  25  -9.172  -1.915  -1.915
  254   2HD1  LEU  25          HD13      LEU  25  -8.626  -1.885  -1.885
  255   3HD1  LEU  25          HD12      LEU  25  -8.220  -0.557  -0.557
  256   1HD2  LEU  25          HD22      LEU  25  -6.700  -4.375  -4.375
  257   2HD2  LEU  25          HD21      LEU  25  -6.854  -4.111  -4.111
  258   3HD2  LEU  25          HD23      LEU  25  -8.292  -4.106  -4.106
  259    H    LYS  26            HN      LYS  26  -7.228  -0.090  -0.090
  260    HA   LYS  26            HA      LYS  26  -6.850  -1.681  -1.681
  261   1HB   LYS  26           HB2      LYS  26  -7.095   1.323   1.323
  262   2HB   LYS  26           HB1      LYS  26  -6.935   0.521   0.521
  263   1HG   LYS  26           HG2      LYS  26  -9.034  -0.861  -0.861
  264   2HG   LYS  26           HG1      LYS  26  -9.284   0.674   0.674
  265   1HD   LYS  26           HD2      LYS  26 -10.463   0.945   0.945
  266   2HD   LYS  26           HD1      LYS  26  -8.926   1.757   1.757
  267   1HE   LYS  26           HE2      LYS  26  -8.110  -0.501  -0.501
  268   2HE   LYS  26           HE1      LYS  26  -9.809  -0.973  -0.973
  269   1HZ   LYS  26           HZ2      LYS  26  -8.986   1.577   1.577
  270   2HZ   LYS  26           HZ1      LYS  26  -8.774   0.127   0.127
  271   3HZ   LYS  26           HZ3      LYS  26 -10.326   0.596   0.596
  272    H    VAL  27            HN      VAL  27  -4.767  -2.490  -2.490
  273    HA   VAL  27            HA      VAL  27  -2.652  -1.183  -1.183
  274    HB   VAL  27            HB      VAL  27  -2.338  -3.107  -3.107
  275   1HG1  VAL  27          HG11      VAL  27  -0.406  -1.707  -1.707
  276   2HG1  VAL  27          HG13      VAL  27  -0.561  -3.084  -3.084
  277   3HG1  VAL  27          HG12      VAL  27  -0.159  -3.350  -3.350
  278   1HG2  VAL  27          HG22      VAL  27  -3.336  -3.438  -3.438
  279   2HG2  VAL  27          HG21      VAL  27  -3.614  -4.447  -4.447
  280   3HG2  VAL  27          HG23      VAL  27  -2.112  -4.605  -4.605
  281    H    LEU  28            HN      LEU  28  -1.764   0.687   0.687
  282    HA   LEU  28            HA      LEU  28  -1.613   1.709   1.709
  283   1HB   LEU  28           HB2      LEU  28  -0.532   3.099   3.099
  284   2HB   LEU  28           HB1      LEU  28  -1.062   3.822   3.822
  285    HG   LEU  28            HG      LEU  28  -3.051   2.318   2.318
  286   1HD1  LEU  28          HD13      LEU  28  -1.722   4.890   4.890
  287   2HD1  LEU  28          HD12      LEU  28  -3.468   4.808   4.808
  288   3HD1  LEU  28          HD11      LEU  28  -2.422   3.674   3.674
  289   1HD2  LEU  28          HD22      LEU  28  -3.002   4.260   4.260
  290   2HD2  LEU  28          HD21      LEU  28  -4.203   3.031   3.031
  291   3HD2  LEU  28          HD23      LEU  28  -4.223   4.585   4.585
  292    H    ASN  29            HN      ASN  29   0.328   0.556   0.556
  293    HA   ASN  29            HA      ASN  29   2.717   0.597   0.597
  294   1HB   ASN  29           HB2      ASN  29   2.670   2.021   2.021
  295   2HB   ASN  29           HB1      ASN  29   3.069   0.459   0.459
  296   1HD2  ASN  29          HD21      ASN  29   4.303   3.083   3.083
  297   2HD2  ASN  29          HD22      ASN  29   5.870   2.460   2.460
  298    H    GLU  30            HN      GLU  30   3.354  -1.371  -1.371
  299    HA   GLU  30            HA      GLU  30   2.173  -3.803  -3.803
  300   1HB   GLU  30           HB2      GLU  30   4.766  -3.068  -3.068
  301   2HB   GLU  30           HB1      GLU  30   4.473  -4.746  -4.746
  302   1HG   GLU  30           HG2      GLU  30   2.732  -4.992  -4.992
  303   2HG   GLU  30           HG1      GLU  30   2.307  -3.281  -3.281
  304    H    GLU  31            HN      GLU  31   3.916  -5.627  -5.627
  305    HA   GLU  31            HA      GLU  31   3.990  -5.655  -5.655
  306   1HB   GLU  31           HB2      GLU  31   6.043  -6.811  -6.811
  307   2HB   GLU  31           HB1      GLU  31   5.995  -7.166  -7.166
  308   1HG   GLU  31           HG2      GLU  31   3.367  -7.578  -7.578
  309   2HG   GLU  31           HG1      GLU  31   4.254  -8.152  -8.152
  310    H    CYS  32            HN      CYS  32   5.523  -5.250  -5.250
  311    HA   CYS  32            HA      CYS  32   8.015  -3.900  -3.900
  312   1HB   CYS  32           HB2      CYS  32   5.589  -2.212  -2.212
  313   2HB   CYS  32           HB1      CYS  32   6.769  -1.747  -1.747
  314    HG   CYS  32            HG      CYS  32   7.085  -0.842  -0.842
  315    H    ASP  33            HN      ASP  33   8.725  -3.064  -3.064
  316    HA   ASP  33            HA      ASP  33   9.109  -3.571  -3.571
  317   1HB   ASP  33           HB2      ASP  33   7.023  -2.179  -2.179
  318   2HB   ASP  33           HB1      ASP  33   6.125  -3.671  -3.671
  319    H    GLN  34            HN      GLN  34   8.402  -5.337  -5.337
  320    HA   GLN  34            HA      GLN  34   8.698  -7.815  -7.815
  321   1HB   GLN  34           HB2      GLN  34   9.733  -6.929  -6.929
  322   2HB   GLN  34           HB1      GLN  34   8.432  -7.974  -7.974
  323   1HG   GLN  34           HG2      GLN  34   9.331  -9.880  -9.880
  324   2HG   GLN  34           HG1      GLN  34  10.355  -8.911  -8.911
  325   1HE2  GLN  34          HE22      GLN  34  13.015  -8.723  -8.723
  326   2HE2  GLN  34          HE21      GLN  34  12.431  -8.297  -8.297
  327    H    ASN  35            HN      ASN  35   6.006  -6.169  -6.169
  328    HA   ASN  35            HA      ASN  35   4.261  -8.448  -8.448
  329   1HB   ASN  35           HB2      ASN  35   4.836  -7.591  -7.591
  330   2HB   ASN  35           HB1      ASN  35   3.181  -8.023  -8.023
  331   1HD2  ASN  35          HD22      ASN  35   4.163 -11.450 -11.450
  332   2HD2  ASN  35          HD21      ASN  35   3.242 -10.188 -10.188
  333    H    TRP  36            HN      TRP  36   4.593  -5.359  -5.359
  334    HA   TRP  36            HA      TRP  36   1.661  -4.845  -4.845
  335   1HB   TRP  36           HB2      TRP  36   3.599  -2.625  -2.625
  336   2HB   TRP  36           HB1      TRP  36   1.841  -2.594  -2.594
  337    HD1  TRP  36           HD1      TRP  36   4.571  -4.971  -4.971
  338    HE1  TRP  36           HE1      TRP  36   4.131  -5.183  -5.183
  339    HE3  TRP  36           HE3      TRP  36   0.411  -1.932  -1.932
  340    HZ2  TRP  36           HZ2      TRP  36   2.355  -4.205  -4.205
  341    HZ3  TRP  36           HZ3      TRP  36  -0.555  -1.582  -1.582
  342    HH2  TRP  36           HH2      TRP  36   0.395  -2.719  -2.719
  343    H    TYR  37            HN      TYR  37   0.874  -3.744  -3.744
  344    HA   TYR  37            HA      TYR  37   2.838  -3.045  -3.045
  345   1HB   TYR  37           HB2      TYR  37  -0.151  -3.468  -3.468
  346   2HB   TYR  37           HB1      TYR  37   1.046  -3.411  -3.411
  347    HD1  TYR  37           HD1      TYR  37   3.153  -5.227  -5.227
  348    HD2  TYR  37           HD2      TYR  37  -1.128  -5.538  -5.538
  349    HE1  TYR  37           HE1      TYR  37   3.330  -7.702  -7.702
  350    HE2  TYR  37           HE2      TYR  37  -0.978  -7.997  -7.997
  351    HH   TYR  37            HH      TYR  37   0.441  -9.784  -9.784
  352    H    LYS  38            HN      LYS  38   1.031  -1.461  -1.461
  353    HA   LYS  38            HA      LYS  38   0.202   0.782   0.782
  354   1HB   LYS  38           HB2      LYS  38   2.349   1.098   1.098
  355   2HB   LYS  38           HB1      LYS  38   1.114   1.339   1.339
  356   1HG   LYS  38           HG2      LYS  38   0.094   2.863   2.863
  357   2HG   LYS  38           HG1      LYS  38   1.816   3.033   3.033
  358   1HD   LYS  38           HD2      LYS  38   1.324   3.262   3.262
  359   2HD   LYS  38           HD1      LYS  38   0.308   4.400   4.400
  360   1HE   LYS  38           HE2      LYS  38   2.075   5.687   5.687
  361   2HE   LYS  38           HE1      LYS  38   3.062   4.287   4.287
  362   1HZ   LYS  38           HZ3      LYS  38   2.508   4.823   4.823
  363   2HZ   LYS  38           HZ2      LYS  38   3.666   5.778   5.778
  364   3HZ   LYS  38           HZ1      LYS  38   3.861   4.093   4.093
  365    H    ALA  39            HN      ALA  39  -1.893   1.653   1.653
  366    HA   ALA  39            HA      ALA  39  -3.093   0.873   0.873
  367   1HB   ALA  39           HB1      ALA  39  -3.155  -1.262  -1.262
  368   2HB   ALA  39           HB3      ALA  39  -4.125  -0.475  -0.475
  369   3HB   ALA  39           HB2      ALA  39  -4.767  -0.643  -0.643
  370    H    GLU  40            HN      GLU  40  -5.631   1.070   1.070
  371    HA   GLU  40            HA      GLU  40  -6.181   3.374   3.374
  372   1HB   GLU  40           HB2      GLU  40  -5.791   4.905   4.905
  373   2HB   GLU  40           HB1      GLU  40  -5.145   3.637   3.637
  374   1HG   GLU  40           HG2      GLU  40  -7.346   3.345   3.345
  375   2HG   GLU  40           HG1      GLU  40  -8.084   4.464   4.464
  376    H    LEU  41            HN      LEU  41  -8.135   3.523   3.523
  377    HA   LEU  41            HA      LEU  41 -10.213   1.760   1.760
  378   1HB   LEU  41           HB2      LEU  41  -9.789   2.913   2.913
  379   2HB   LEU  41           HB1      LEU  41 -11.459   2.653   2.653
  380    HG   LEU  41            HG      LEU  41  -9.398   0.540   0.540
  381   1HD1  LEU  41          HD12      LEU  41 -10.894   1.281   1.281
  382   2HD1  LEU  41          HD11      LEU  41 -10.422  -0.391  -0.391
  383   3HD1  LEU  41          HD13      LEU  41  -9.190   0.865   0.865
  384   1HD2  LEU  41          HD22      LEU  41 -11.697   0.566   0.566
  385   2HD2  LEU  41          HD21      LEU  41 -11.321  -0.877  -0.877
  386   3HD2  LEU  41          HD23      LEU  41 -12.364   0.376   0.376
  387    H    ASN  42            HN      ASN  42 -10.905   2.746   2.746
  388    HA   ASN  42            HA      ASN  42 -11.998   4.347   4.347
  389   1HB   ASN  42           HB2      ASN  42 -13.470   3.918   3.918
  390   2HB   ASN  42           HB1      ASN  42 -14.030   5.225   5.225
  391   1HD2  ASN  42          HD22      ASN  42 -15.194   1.578   1.578
  392   2HD2  ASN  42          HD21      ASN  42 -14.776   2.126   2.126
  393    H    GLY  43            HN      GLY  43  -9.858   5.627   5.627
  394   1HA   GLY  43           HA2      GLY  43  -9.792   8.219   8.219
  395   2HA   GLY  43           HA1      GLY  43 -11.021   8.288   8.288
  396    H    LYS  44            HN      LYS  44  -9.811   6.325   6.325
  397    HA   LYS  44            HA      LYS  44  -7.730   7.946   7.946
  398   1HB   LYS  44           HB2      LYS  44  -9.453   5.704   5.704
  399   2HB   LYS  44           HB1      LYS  44  -7.882   5.940   5.940
  400   1HG   LYS  44           HG2      LYS  44  -8.480   7.890   7.890
  401   2HG   LYS  44           HG1      LYS  44  -9.457   8.404   8.404
  402   1HD   LYS  44           HD2      LYS  44 -10.919   7.981   7.981
  403   2HD   LYS  44           HD1      LYS  44 -11.211   6.764   6.764
  404   1HE   LYS  44           HE2      LYS  44  -9.509   5.312   5.312
  405   2HE   LYS  44           HE1      LYS  44  -9.632   6.462   6.462
  406   1HZ   LYS  44           HZ1      LYS  44 -11.906   4.974   4.974
  407   2HZ   LYS  44           HZ3      LYS  44 -11.166   4.604   4.604
  408   3HZ   LYS  44           HZ2      LYS  44 -12.009   6.067   6.067
  409    H    ASP  45            HN      ASP  45  -5.860   6.657   6.657
  410    HA   ASP  45            HA      ASP  45  -5.132   4.319   4.319
  411   1HB   ASP  45           HB2      ASP  45  -3.798   5.123   5.123
  412   2HB   ASP  45           HB1      ASP  45  -5.039   6.355   6.355
  413    H    GLY  46            HN      GLY  46  -2.597   3.985   3.985
  414   1HA   GLY  46           HA2      GLY  46  -0.678   4.869   4.869
  415   2HA   GLY  46           HA1      GLY  46  -1.820   4.690   4.690
  416    H    PHE  47            HN      PHE  47   0.348   3.344   3.344
  417    HA   PHE  47            HA      PHE  47   0.606   0.795   0.795
  418   1HB   PHE  47           HB2      PHE  47   1.705   2.114   2.114
  419   2HB   PHE  47           HB1      PHE  47   1.878   0.366   0.366
  420    HD1  PHE  47           HD2      PHE  47   2.758   3.628   3.628
  421    HD2  PHE  47           HD1      PHE  47   3.253  -0.631  -0.631
  422    HE1  PHE  47           HE2      PHE  47   4.637   3.946   3.946
  423    HE2  PHE  47           HE1      PHE  47   5.132  -0.313  -0.313
  424    HZ   PHE  47            HZ      PHE  47   5.824   1.975   1.975
  425    H    ILE  48            HN      ILE  48  -0.163  -1.275  -1.275
  426    HA   ILE  48            HA      ILE  48  -2.002  -1.286  -1.286
  427    HB   ILE  48            HB      ILE  48  -3.495  -2.808  -2.808
  428   1HG1  ILE  48          HG12      ILE  48  -1.732  -1.853  -1.853
  429   2HG1  ILE  48          HG11      ILE  48  -1.784  -3.501  -3.501
  430   1HG2  ILE  48          HG22      ILE  48  -3.784  -0.279  -0.279
  431   2HG2  ILE  48          HG21      ILE  48  -3.120  -0.139  -0.139
  432   3HG2  ILE  48          HG23      ILE  48  -4.624  -1.021  -1.021
  433   1HD1  ILE  48          HD13      ILE  48  -4.165  -2.032  -2.032
  434   2HD1  ILE  48          HD12      ILE  48  -3.182  -3.209  -3.209
  435   3HD1  ILE  48          HD11      ILE  48  -4.130  -3.715  -3.715
  436    HA   PRO  49            HA      PRO  49   0.527  -4.843  -4.843
  437   1HB   PRO  49           HB2      PRO  49  -1.038  -5.967  -5.967
  438   2HB   PRO  49           HB1      PRO  49   0.087  -4.629  -4.629
  439   1HG   PRO  49           HG2      PRO  49  -2.906  -4.563  -4.563
  440   2HG   PRO  49           HG1      PRO  49  -1.841  -3.490  -3.490
  441   1HD   PRO  49           HD2      PRO  49  -2.957  -2.819  -2.819
  442   2HD   PRO  49           HD1      PRO  49  -1.553  -2.047  -2.047
  443    H    LYS  50            HN      LYS  50   0.352  -6.145  -6.145
  444    HA   LYS  50            HA      LYS  50  -1.789  -7.365  -7.365
  445   1HB   LYS  50           HB2      LYS  50   0.366  -7.446  -7.446
  446   2HB   LYS  50           HB1      LYS  50   1.073  -8.224  -8.224
  447   1HG   LYS  50           HG2      LYS  50  -1.119  -9.789  -9.789
  448   2HG   LYS  50           HG1      LYS  50   0.197  -9.518  -9.518
  449   1HD   LYS  50           HD2      LYS  50   1.739 -10.158 -10.158
  450   2HD   LYS  50           HD1      LYS  50   0.266 -10.918 -10.918
  451   1HE   LYS  50           HE2      LYS  50   0.078 -12.347 -12.347
  452   2HE   LYS  50           HE1      LYS  50   1.328 -11.451 -11.451
  453   1HZ   LYS  50           HZ2      LYS  50   1.759 -12.969 -12.969
  454   2HZ   LYS  50           HZ1      LYS  50   2.150 -13.535 -13.535
  455   3HZ   LYS  50           HZ3      LYS  50   2.951 -12.182 -12.182
  456    H    ASN  51            HN      ASN  51  -0.519  -8.295  -8.295
  457    HA   ASN  51            HA      ASN  51  -1.296 -10.937 -10.937
  458   1HB   ASN  51           HB2      ASN  51  -0.782  -8.829  -8.829
  459   2HB   ASN  51           HB1      ASN  51  -1.607 -10.227 -10.227
  460   1HD2  ASN  51          HD22      ASN  51   1.389 -12.045 -12.045
  461   2HD2  ASN  51          HD21      ASN  51  -0.182 -11.775 -11.775
  462    H    TYR  52            HN      TYR  52  -3.153  -8.059  -8.059
  463    HA   TYR  52            HA      TYR  52  -5.635  -9.571  -9.571
  464   1HB   TYR  52           HB2      TYR  52  -4.932  -6.630  -6.630
  465   2HB   TYR  52           HB1      TYR  52  -6.585  -7.176  -7.176
  466    HD1  TYR  52           HD1      TYR  52  -3.652  -8.770  -8.770
  467    HD2  TYR  52           HD2      TYR  52  -7.177  -6.378  -6.378
  468    HE1  TYR  52           HE1      TYR  52  -3.495  -8.848  -8.848
  469    HE2  TYR  52           HE2      TYR  52  -7.025  -6.451  -6.451
  470    HH   TYR  52            HH      TYR  52  -6.034  -7.963  -7.963
  471    H    ILE  53            HN      ILE  53  -4.245  -9.750  -9.750
  472    HA   ILE  53            HA      ILE  53  -6.327  -8.893  -8.893
  473    HB   ILE  53            HB      ILE  53  -3.723  -7.996  -7.996
  474   1HG1  ILE  53          HG12      ILE  53  -5.269  -6.271  -6.271
  475   2HG1  ILE  53          HG11      ILE  53  -3.800  -7.142  -7.142
  476   1HG2  ILE  53          HG21      ILE  53  -6.553  -7.229  -7.229
  477   2HG2  ILE  53          HG23      ILE  53  -5.332  -6.010  -6.010
  478   3HG2  ILE  53          HG22      ILE  53  -5.326  -7.507  -7.507
  479   1HD1  ILE  53          HD12      ILE  53  -3.418  -5.697  -5.697
  480   2HD1  ILE  53          HD11      ILE  53  -3.986  -4.616  -4.616
  481   3HD1  ILE  53          HD13      ILE  53  -2.528  -5.564  -5.564
  482    H    GLU  54            HN      GLU  54  -5.721  -9.393  -9.393
  483    HA   GLU  54            HA      GLU  54  -3.762 -11.412 -11.412
  484   1HB   GLU  54           HB2      GLU  54  -6.548 -12.053 -12.053
  485   2HB   GLU  54           HB1      GLU  54  -5.995 -12.413 -12.413
  486   1HG   GLU  54           HG2      GLU  54  -3.936 -13.472 -13.472
  487   2HG   GLU  54           HG1      GLU  54  -5.136 -13.615 -13.615
  488    H    MET  55            HN      MET  55  -3.479 -11.661 -11.661
  489    HA   MET  55            HA      MET  55  -4.220  -9.058  -9.058
  490   1HB   MET  55           HB2      MET  55  -2.372  -9.855  -9.855
  491   2HB   MET  55           HB1      MET  55  -1.927  -9.108  -9.108
  492   1HG   MET  55           HG2      MET  55  -1.515 -11.264 -11.264
  493   2HG   MET  55           HG1      MET  55  -2.149 -12.098 -12.098
  494   1HE   MET  55           HE1      MET  55  -0.621 -13.325 -13.325
  495   2HE   MET  55           HE3      MET  55  -1.062 -12.020 -12.020
  496   3HE   MET  55           HE2      MET  55   0.608 -12.571 -12.571
  497    H    LYS  56            HN      LYS  56  -5.900  -9.090  -9.090
  498    HA   LYS  56            HA      LYS  56  -6.509 -11.431 -11.431
  499   1HB   LYS  56           HB2      LYS  56  -7.999  -9.113  -9.113
  500   2HB   LYS  56           HB1      LYS  56  -8.520  -9.812  -9.812
  501   1HG   LYS  56           HG2      LYS  56  -8.917 -11.931 -11.931
  502   2HG   LYS  56           HG1      LYS  56  -7.956 -11.532 -11.532
  503   1HD   LYS  56           HD2      LYS  56 -10.381 -11.476 -11.476
  504   2HD   LYS  56           HD1      LYS  56  -9.650  -9.884  -9.884
  505   1HE   LYS  56           HE2      LYS  56 -11.754  -9.636  -9.636
  506   2HE   LYS  56           HE1      LYS  56 -10.426  -9.310  -9.310
  507   1HZ   LYS  56           HZ3      LYS  56 -11.834 -11.913 -11.913
  508   2HZ   LYS  56           HZ2      LYS  56 -12.118 -10.769 -10.769
  509   3HZ   LYS  56           HZ1      LYS  56 -10.609 -11.543 -11.543
  510    HA   PRO  57            HA      PRO  57  -5.126  -9.571  -9.571
  511   1HB   PRO  57           HB2      PRO  57  -6.823 -10.553 -10.553
  512   2HB   PRO  57           HB1      PRO  57  -5.496 -11.470 -11.470
  513   1HG   PRO  57           HG2      PRO  57  -8.404 -11.619 -11.619
  514   2HG   PRO  57           HG1      PRO  57  -7.175 -12.866 -12.866
  515   1HD   PRO  57           HD2      PRO  57  -8.256 -11.435 -11.435
  516   2HD   PRO  57           HD1      PRO  57  -6.737 -12.358 -12.358
  517    H    HIS  58            HN      HIS  58  -8.401  -9.546  -9.546
  518    HA   HIS  58            HA      HIS  58  -9.237  -6.959  -6.959
  519   1HB   HIS  58           HB2      HIS  58  -8.709  -5.690  -5.690
  520   2HB   HIS  58           HB1      HIS  58  -7.293  -6.056  -6.056
  521    HD1  HIS  58           HD1      HIS  58  -8.730  -6.571  -6.571
  522    HD2  HIS  58           HD2      HIS  58  -5.762  -8.365  -8.365
  523    HE1  HIS  58           HE1      HIS  58  -7.346  -7.987  -7.987
  524    HA   PRO  59            HA      PRO  59 -12.365  -9.242  -9.242
  525   1HB   PRO  59           HB2      PRO  59 -14.534  -8.351  -8.351
  526   2HB   PRO  59           HB1      PRO  59 -13.544  -9.738  -9.738
  527   1HG   PRO  59           HG2      PRO  59 -13.601  -6.979  -6.979
  528   2HG   PRO  59           HG1      PRO  59 -13.168  -8.511  -8.511
  529   1HD   PRO  59           HD2      PRO  59 -11.342  -6.564  -6.564
  530   2HD   PRO  59           HD1      PRO  59 -10.940  -8.234  -8.234
  531    H    GLU  60            HN      GLU  60 -13.895  -8.471  -8.471
  532    HA   GLU  60            HA      GLU  60 -14.936  -5.821  -5.821
  533   1HB   GLU  60           HB2      GLU  60 -12.230  -5.760  -5.760
  534   2HB   GLU  60           HB1      GLU  60 -12.851  -5.933  -5.933
  535   1HG   GLU  60           HG2      GLU  60 -14.557  -4.045  -4.045
  536   2HG   GLU  60           HG1      GLU  60 -13.093  -3.657  -3.657
  537    H    PHE  61            HN      PHE  61 -13.711  -8.588  -8.588
  538    HA   PHE  61            HA      PHE  61 -15.291  -8.182  -8.182
  539   1HB   PHE  61           HB2      PHE  61 -14.122 -10.677 -10.677
  540   2HB   PHE  61           HB1      PHE  61 -14.965 -10.691 -10.691
  541    HD1  PHE  61           HD2      PHE  61 -14.151  -8.363  -8.363
  542    HD2  PHE  61           HD1      PHE  61 -11.820 -10.800 -10.800
  543    HE1  PHE  61           HE2      PHE  61 -12.076  -7.620  -7.620
  544    HE2  PHE  61           HE1      PHE  61  -9.746 -10.058 -10.058
  545    HZ   PHE  61            HZ      PHE  61  -9.873  -8.467  -8.467
  546    H    ILE  62            HN      ILE  62 -17.466  -8.327  -8.327
  547    HA   ILE  62            HA      ILE  62 -18.968 -10.127 -10.127
  548    HB   ILE  62            HB      ILE  62 -19.855  -7.361  -7.361
  549   1HG1  ILE  62          HG12      ILE  62 -19.237  -8.185  -8.185
  550   2HG1  ILE  62          HG11      ILE  62 -17.942  -7.636  -7.636
  551   1HG2  ILE  62          HG22      ILE  62 -21.135  -9.615  -9.615
  552   2HG2  ILE  62          HG21      ILE  62 -21.485  -7.973  -7.973
  553   3HG2  ILE  62          HG23      ILE  62 -21.857  -8.454  -8.454
  554   1HD1  ILE  62          HD12      ILE  62 -20.470  -6.087  -6.087
  555   2HD1  ILE  62          HD11      ILE  62 -18.870  -5.753  -5.753
  556   3HD1  ILE  62          HD13      ILE  62 -19.173  -5.541  -5.541
  557    H    VAL  63            HN      VAL  63 -18.180 -11.004 -11.004
  558    HA   VAL  63            HA      VAL  63 -20.771 -11.078 -11.078
  559    HB   VAL  63            HB      VAL  63 -19.308  -9.442  -9.442
  560   1HG1  VAL  63          HG11      VAL  63 -17.405 -11.796 -11.796
  561   2HG1  VAL  63          HG13      VAL  63 -17.252 -10.397 -10.397
  562   3HG1  VAL  63          HG12      VAL  63 -17.111 -10.198 -10.198
  563   1HG2  VAL  63          HG23      VAL  63 -20.807 -11.330 -11.330
  564   2HG2  VAL  63          HG22      VAL  63 -19.838 -10.211 -10.211
  565   3HG2  VAL  63          HG21      VAL  63 -19.241 -11.838 -11.838
  566    H    THR  64            HN      THR  64 -19.859 -13.035 -13.035
  567    HA   THR  64            HA      THR  64 -18.773 -15.196 -15.196
  568    HB   THR  64            HB      THR  64 -19.206 -15.537 -15.537
  569    HG1  THR  64           HG1      THR  64 -17.117 -14.080 -14.080
  570   1HG2  THR  64          HG21      THR  64 -18.385 -17.357 -17.357
  571   2HG2  THR  64          HG23      THR  64 -16.933 -16.387 -16.387
  572   3HG2  THR  64          HG22      THR  64 -17.316 -17.005 -17.005
  573    H    ASP  65            HN      ASP  65 -21.566 -14.219 -14.219
  574    HA   ASP  65            HA      ASP  65 -22.944 -16.748 -16.748
  575   1HB   ASP  65           HB2      ASP  65 -23.849 -13.879 -13.879
  576   2HB   ASP  65           HB1      ASP  65 -25.035 -15.176 -15.176
  577   1H    SER   1           HT1      SER   1 -11.703 -11.654 -11.654
  578   2H    SER   1           HT3      SER   1 -12.635 -12.723 -12.723
  579   3H    SER   1           HT2      SER   1 -10.941 -12.824 -12.824
  580    HA   SER   1            HA      SER   1 -10.798 -13.989 -13.989
  581   1HB   SER   1           HB2      SER   1 -12.192 -15.567 -15.567
  582   2HB   SER   1           HB1      SER   1 -13.500 -14.427 -14.427
  583    HG   SER   1            HG      SER   1 -12.700 -15.377 -15.377
  584    HA   PRO   2            HA      PRO   2 -13.772 -12.067 -12.067
  585   1HB   PRO   2           HB2      PRO   2 -15.616 -10.203 -10.203
  586   2HB   PRO   2           HB1      PRO   2 -15.951 -11.942 -11.942
  587   1HG   PRO   2           HG2      PRO   2 -15.472 -10.228 -10.228
  588   2HG   PRO   2           HG1      PRO   2 -16.375 -11.747 -11.747
  589   1HD   PRO   2           HD2      PRO   2 -13.742 -11.452 -11.452
  590   2HD   PRO   2           HD1      PRO   2 -14.544 -12.979 -12.979
  591    H    LEU   3            HN      LEU   3 -11.622 -11.046 -11.046
  592    HA   LEU   3            HA      LEU   3 -11.763  -8.220  -8.220
  593   1HB   LEU   3           HB2      LEU   3 -10.340  -7.351  -7.351
  594   2HB   LEU   3           HB1      LEU   3 -11.559  -8.324  -8.324
  595    HG   LEU   3            HG      LEU   3  -8.744  -9.256  -9.256
  596   1HD1  LEU   3          HD13      LEU   3 -10.028  -8.230  -8.230
  597   2HD1  LEU   3          HD12      LEU   3  -8.612  -9.280  -9.280
  598   3HD1  LEU   3          HD11      LEU   3  -8.521  -7.711  -7.711
  599   1HD2  LEU   3          HD23      LEU   3 -11.163 -10.584 -10.584
  600   2HD2  LEU   3          HD22      LEU   3  -9.940 -11.242 -11.242
  601   3HD2  LEU   3          HD21      LEU   3  -9.576 -11.037 -11.037
  602    H    LEU   4            HN      LEU   4  -9.530  -7.344  -7.344
  603    HA   LEU   4            HA      LEU   4  -7.788  -9.557  -9.557
  604   1HB   LEU   4           HB2      LEU   4  -9.377  -7.807  -7.807
  605   2HB   LEU   4           HB1      LEU   4  -7.701  -7.309  -7.309
  606    HG   LEU   4            HG      LEU   4  -7.095  -9.684  -9.684
  607   1HD1  LEU   4          HD12      LEU   4  -9.595 -10.222 -10.222
  608   2HD1  LEU   4          HD11      LEU   4  -9.825 -10.561 -10.561
  609   3HD1  LEU   4          HD13      LEU   4  -8.550 -11.384 -11.384
  610   1HD2  LEU   4          HD22      LEU   4  -8.340  -7.829  -7.829
  611   2HD2  LEU   4          HD21      LEU   4  -7.492  -9.280  -9.280
  612   3HD2  LEU   4          HD23      LEU   4  -9.239  -9.315  -9.315
  613    HA   PRO   5            HA      PRO   5  -4.814  -6.882  -6.882
  614   1HB   PRO   5           HB2      PRO   5  -2.573  -8.391  -8.391
  615   2HB   PRO   5           HB1      PRO   5  -3.758  -8.773  -8.773
  616   1HG   PRO   5           HG2      PRO   5  -3.313 -10.125 -10.125
  617   2HG   PRO   5           HG1      PRO   5  -4.025 -10.773 -10.773
  618   1HD   PRO   5           HD2      PRO   5  -5.451  -9.899  -9.899
  619   2HD   PRO   5           HD1      PRO   5  -6.149 -10.306 -10.306
  620    H    LYS   6            HN      LYS   6  -2.317  -6.297  -6.297
  621    HA   LYS   6            HA      LYS   6  -2.570  -4.924  -4.924
  622   1HB   LYS   6           HB2      LYS   6  -1.506  -4.175  -4.175
  623   2HB   LYS   6           HB1      LYS   6  -0.056  -4.680  -4.680
  624   1HG   LYS   6           HG2      LYS   6  -0.456  -3.123  -3.123
  625   2HG   LYS   6           HG1      LYS   6  -2.096  -2.799  -2.799
  626   1HD   LYS   6           HD2      LYS   6  -0.685  -0.949  -0.949
  627   2HD   LYS   6           HD1      LYS   6  -1.108  -1.881  -1.881
  628   1HE   LYS   6           HE2      LYS   6   1.355  -2.760  -2.760
  629   2HE   LYS   6           HE1      LYS   6   1.443  -1.171  -1.171
  630   1HZ   LYS   6           HZ1      LYS   6   0.310  -3.451  -3.451
  631   2HZ   LYS   6           HZ3      LYS   6   1.991  -3.264  -3.264
  632   3HZ   LYS   6           HZ2      LYS   6   1.043  -2.041  -2.041
  633    H    LEU   7            HN      LEU   7   0.445  -4.969  -4.969
  634    HA   LEU   7            HA      LEU   7   0.683  -7.780  -7.780
  635   1HB   LEU   7           HB2      LEU   7   1.749  -5.177  -5.177
  636   2HB   LEU   7           HB1      LEU   7   2.343  -6.748  -6.748
  637    HG   LEU   7            HG      LEU   7   0.614  -5.998  -5.998
  638   1HD1  LEU   7          HD12      LEU   7   0.702  -8.440  -8.440
  639   2HD1  LEU   7          HD11      LEU   7  -0.654  -8.095  -8.095
  640   3HD1  LEU   7          HD13      LEU   7  -0.839  -7.906  -7.906
  641   1HD2  LEU   7          HD23      LEU   7  -0.468  -4.643  -4.643
  642   2HD2  LEU   7          HD22      LEU   7  -1.417  -5.116  -5.116
  643   3HD2  LEU   7          HD21      LEU   7  -1.502  -6.070  -6.070
  644    HA   PRO   8            HA      PRO   8   4.016  -7.097  -7.097
  645   1HB   PRO   8           HB2      PRO   8   3.656  -9.460  -9.460
  646   2HB   PRO   8           HB1      PRO   8   2.774  -7.971  -7.971
  647   1HG   PRO   8           HG2      PRO   8   1.794 -10.421 -10.421
  648   2HG   PRO   8           HG1      PRO   8   0.883  -9.225  -9.225
  649   1HD   PRO   8           HD2      PRO   8   1.008  -9.371  -9.371
  650   2HD   PRO   8           HD1      PRO   8   0.377  -8.021  -8.021
  651    HA   PRO   9            HA      PRO   9   6.836  -9.806  -9.806
  652   1HB   PRO   9           HB2      PRO   9   8.999  -9.634  -9.634
  653   2HB   PRO   9           HB1      PRO   9   8.529  -8.336  -8.336
  654   1HG   PRO   9           HG2      PRO   9   8.208  -8.473  -8.473
  655   2HG   PRO   9           HG1      PRO   9   8.319  -7.051  -7.051
  656   1HD   PRO   9           HD2      PRO   9   5.935  -8.132  -8.132
  657   2HD   PRO   9           HD1      PRO   9   6.039  -6.882  -6.882
  658    H    LYS  10            HN      LYS  10   8.740 -11.517 -11.517
  659    HA   LYS  10            HA      LYS  10   7.127 -13.283 -13.283
  660   1HB   LYS  10           HB2      LYS  10   8.579 -13.916 -13.916
  661   2HB   LYS  10           HB1      LYS  10   8.516 -15.143 -15.143
  662   1HG   LYS  10           HG2      LYS  10   5.965 -13.756 -13.756
  663   2HG   LYS  10           HG1      LYS  10   6.585 -14.908 -14.908
  664   1HD   LYS  10           HD2      LYS  10   6.823 -16.573 -16.573
  665   2HD   LYS  10           HD1      LYS  10   5.931 -15.433 -15.433
  666   1HE   LYS  10           HE2      LYS  10   4.254 -15.485 -15.485
  667   2HE   LYS  10           HE1      LYS  10   4.975 -17.080 -17.080
  668   1HZ   LYS  10           HZ2      LYS  10   4.068 -16.255 -16.255
  669   2HZ   LYS  10           HZ1      LYS  10   2.923 -16.785 -16.785
  670   3HZ   LYS  10           HZ3      LYS  10   4.184 -17.814 -17.814
  671    H    THR  11            HN      THR  11   8.578 -11.855 -11.855
  672    HA   THR  11            HA      THR  11  10.888 -13.511 -13.511
  673    HB   THR  11            HB      THR  11  12.147 -11.138 -11.138
  674    HG1  THR  11           HG1      THR  11  10.627 -10.942 -10.942
  675   1HG2  THR  11          HG21      THR  11  12.948 -13.213 -13.213
  676   2HG2  THR  11          HG23      THR  11  12.025 -12.748 -12.748
  677   3HG2  THR  11          HG22      THR  11  13.368 -11.745 -11.745
  678    H    TYR  12            HN      TYR  12  10.050 -10.126 -10.126
  679    HA   TYR  12            HA      TYR  12   8.752 -10.851 -10.851
  680   1HB   TYR  12           HB2      TYR  12  11.640 -10.084 -10.084
  681   2HB   TYR  12           HB1      TYR  12  10.654  -9.410  -9.410
  682    HD1  TYR  12           HD2      TYR  12   8.809 -11.423 -11.423
  683    HD2  TYR  12           HD1      TYR  12  12.857 -11.921 -11.921
  684    HE1  TYR  12           HE2      TYR  12   8.951 -13.577 -13.577
  685    HE2  TYR  12           HE1      TYR  12  12.999 -14.075 -14.075
  686    HH   TYR  12            HH      TYR  12  11.897 -15.180 -15.180
  687    H    LYS  13            HN      LYS  13   8.862  -8.564  -8.564
  688    HA   LYS  13            HA      LYS  13   7.761  -6.562  -6.562
  689   1HB   LYS  13           HB2      LYS  13   7.470  -7.044  -7.044
  690   2HB   LYS  13           HB1      LYS  13   7.068  -5.470  -5.470
  691   1HG   LYS  13           HG2      LYS  13   5.547  -6.611  -6.611
  692   2HG   LYS  13           HG1      LYS  13   5.884  -8.140  -8.140
  693   1HD   LYS  13           HD2      LYS  13   4.023  -7.564  -7.564
  694   2HD   LYS  13           HD1      LYS  13   5.203  -6.646  -6.646
  695   1HE   LYS  13           HE2      LYS  13   4.688  -4.619  -4.619
  696   2HE   LYS  13           HE1      LYS  13   3.759  -5.479  -5.479
  697   1HZ   LYS  13           HZ1      LYS  13   2.340  -6.233  -6.233
  698   2HZ   LYS  13           HZ3      LYS  13   3.053  -4.935  -4.935
  699   3HZ   LYS  13           HZ2      LYS  13   2.143  -4.647  -4.647
  700    H    ARG  14            HN      ARG  14   9.660  -5.573  -5.573
  701    HA   ARG  14            HA      ARG  14  11.857  -4.757  -4.757
  702   1HB   ARG  14           HB2      ARG  14  10.914  -3.924  -3.924
  703   2HB   ARG  14           HB1      ARG  14  12.329  -3.190  -3.190
  704   1HG   ARG  14           HG2      ARG  14  12.990  -5.733  -5.733
  705   2HG   ARG  14           HG1      ARG  14  11.943  -5.988  -5.988
  706   1HD   ARG  14           HD2      ARG  14  14.333  -4.127  -4.127
  707   2HD   ARG  14           HD1      ARG  14  14.247  -5.654  -5.654
  708    HE   ARG  14            HE      ARG  14  12.369  -3.443  -3.443
  709   1HH1  ARG  14          HH21      ARG  14  12.210  -5.799  -5.799
  710   2HH1  ARG  14          HH22      ARG  14  13.316  -5.460  -5.460
  711   1HH2  ARG  14          HH11      ARG  14  14.961  -2.937  -2.937
  712   2HH2  ARG  14          HH12      ARG  14  14.874  -3.840  -3.840
  713    H    GLU  15            HN      GLU  15  11.704  -3.252  -3.252
  714    HA   GLU  15            HA      GLU  15  11.086  -1.305  -1.305
  715   1HB   GLU  15           HB2      GLU  15  10.967  -0.490  -0.490
  716   2HB   GLU  15           HB1      GLU  15  10.349   0.619   0.619
  717   1HG   GLU  15           HG2      GLU  15  12.559   1.278   1.278
  718   2HG   GLU  15           HG1      GLU  15  12.655  -0.011  -0.011

  Start of MODEL   27
    1   1H    GLY  -8           HT2      GLY  -8   9.505  -5.983  -5.983
    2   2H    GLY  -8           HT1      GLY  -8  10.867  -6.357  -6.357
    3   3H    GLY  -8           HT3      GLY  -8  10.825  -6.793  -6.793
    4   1HA   GLY  -8           HA1      GLY  -8  11.407  -4.697  -4.697
    5   2HA   GLY  -8           HA2      GLY  -8  12.146  -4.562  -4.562
    6    H    SER  -7            HN      SER  -7   9.029  -4.734  -4.734
    7    HA   SER  -7            HA      SER  -7   7.480  -3.108  -3.108
    8   1HB   SER  -7           HB2      SER  -7   9.688  -2.172  -2.172
    9   2HB   SER  -7           HB1      SER  -7   9.654  -1.046  -1.046
   10    HG   SER  -7            HG      SER  -7   8.225  -1.035  -1.035
   11    H    ARG  -6            HN      ARG  -6   6.077  -3.096  -3.096
   12    HA   ARG  -6            HA      ARG  -6   6.649  -1.933  -1.933
   13   1HB   ARG  -6           HB2      ARG  -6   4.519  -3.348  -3.348
   14   2HB   ARG  -6           HB1      ARG  -6   3.819  -1.797  -1.797
   15   1HG   ARG  -6           HG2      ARG  -6   3.681  -2.566  -2.566
   16   2HG   ARG  -6           HG1      ARG  -6   5.442  -2.533  -2.533
   17   1HD   ARG  -6           HD2      ARG  -6   3.693  -4.860  -4.860
   18   2HD   ARG  -6           HD1      ARG  -6   4.725  -4.768  -4.768
   19    HE   ARG  -6            HE      ARG  -6   6.369  -4.358  -4.358
   20   1HH1  ARG  -6          HH21      ARG  -6   6.523  -6.486  -6.486
   21   2HH1  ARG  -6          HH22      ARG  -6   6.510  -7.934  -7.934
   22   1HH2  ARG  -6          HH11      ARG  -6   5.428  -6.349  -6.349
   23   2HH2  ARG  -6          HH12      ARG  -6   5.890  -7.858  -7.858
   24    H    ARG  -5            HN      ARG  -5   5.367   0.021   0.021
   25    HA   ARG  -5            HA      ARG  -5   5.766   2.269   2.269
   26   1HB   ARG  -5           HB2      ARG  -5   6.459   2.077   2.077
   27   2HB   ARG  -5           HB1      ARG  -5   4.831   2.721   2.721
   28   1HG   ARG  -5           HG2      ARG  -5   6.587   4.010   4.010
   29   2HG   ARG  -5           HG1      ARG  -5   6.918   4.343   4.343
   30   1HD   ARG  -5           HD2      ARG  -5   5.349   5.982   5.982
   31   2HD   ARG  -5           HD1      ARG  -5   4.233   4.656   4.656
   32    HE   ARG  -5            HE      ARG  -5   4.655   4.519   4.519
   33   1HH1  ARG  -5          HH21      ARG  -5   5.072   7.361   7.361
   34   2HH1  ARG  -5          HH22      ARG  -5   3.474   8.027   8.027
   35   1HH2  ARG  -5          HH11      ARG  -5   1.975   5.188   5.188
   36   2HH2  ARG  -5          HH12      ARG  -5   1.720   6.798   6.798
   37    H    ALA  -4            HN      ALA  -4   3.876   1.788   1.788
   38    HA   ALA  -4            HA      ALA  -4   1.357   2.780   2.780
   39   1HB   ALA  -4           HB1      ALA  -4   1.520   0.194   0.194
   40   2HB   ALA  -4           HB3      ALA  -4   1.296   0.580   0.580
   41   3HB   ALA  -4           HB2      ALA  -4   0.061   1.031   1.031
   42    H    SER  -3            HN      SER  -3   3.034   2.011   2.011
   43    HA   SER  -3            HA      SER  -3   3.021   3.123   3.123
   44   1HB   SER  -3           HB2      SER  -3   2.526   5.271   5.271
   45   2HB   SER  -3           HB1      SER  -3   2.199   5.663   5.663
   46    HG   SER  -3            HG      SER  -3   4.336   4.885   4.885
   47    H    VAL  -2            HN      VAL  -2   0.555   1.764   1.764
   48    HA   VAL  -2            HA      VAL  -2  -1.263   2.663   2.663
   49    HB   VAL  -2            HB      VAL  -2  -1.793   4.301   4.301
   50   1HG1  VAL  -2          HG13      VAL  -2  -1.104   2.448   2.448
   51   2HG1  VAL  -2          HG12      VAL  -2  -2.839   2.130   2.130
   52   3HG1  VAL  -2          HG11      VAL  -2  -2.240   3.735   3.735
   53   1HG2  VAL  -2          HG22      VAL  -2  -3.613   3.399   3.399
   54   2HG2  VAL  -2          HG21      VAL  -2  -4.198   3.880   3.880
   55   3HG2  VAL  -2          HG23      VAL  -2  -3.949   2.174   2.174
   56    H    GLY  -1            HN      GLY  -1  -1.807   0.702   0.702
   57   1HA   GLY  -1           HA2      GLY  -1  -3.421  -1.211  -1.211
   58   2HA   GLY  -1           HA1      GLY  -1  -1.805  -1.710  -1.710
   59    H    SER   0            HN      SER   0  -3.641  -0.772  -0.772
   60    HA   SER   0            HA      SER   0  -1.811  -2.474  -2.474
   61   1HB   SER   0           HB2      SER   0  -3.767  -0.286  -0.286
   62   2HB   SER   0           HB1      SER   0  -3.076  -1.354  -1.354
   63    HG   SER   0            HG      SER   0  -2.007   0.809   0.809
   64    H    MET   1            HN      MET   1  -3.100  -3.489  -3.489
   65    HA   MET   1            HA      MET   1  -5.585  -4.756  -4.756
   66   1HB   MET   1           HB2      MET   1  -3.133  -5.987  -5.987
   67   2HB   MET   1           HB1      MET   1  -4.690  -6.714  -6.714
   68   1HG   MET   1           HG2      MET   1  -5.118  -7.362  -7.362
   69   2HG   MET   1           HG1      MET   1  -4.194  -6.035  -6.035
   70   1HE   MET   1           HE1      MET   1  -3.551  -7.353  -7.353
   71   2HE   MET   1           HE3      MET   1  -1.807  -7.097  -7.097
   72   3HE   MET   1           HE2      MET   1  -2.450  -8.728  -8.728
   73    H    GLU   2            HN      GLU   2  -6.427  -6.117  -6.117
   74    HA   GLU   2            HA      GLU   2  -6.654  -4.007  -4.007
   75   1HB   GLU   2           HB2      GLU   2  -8.629  -5.211  -5.211
   76   2HB   GLU   2           HB1      GLU   2  -8.784  -5.982  -5.982
   77   1HG   GLU   2           HG2      GLU   2  -9.352  -3.999  -3.999
   78   2HG   GLU   2           HG1      GLU   2  -8.469  -3.013  -3.013
   79    H    ALA   3            HN      ALA   3  -7.489  -5.278  -5.278
   80    HA   ALA   3            HA      ALA   3  -6.319  -7.921  -7.921
   81   1HB   ALA   3           HB1      ALA   3  -5.154  -5.480  -5.480
   82   2HB   ALA   3           HB3      ALA   3  -4.864  -7.108  -7.108
   83   3HB   ALA   3           HB2      ALA   3  -4.350  -6.665  -6.665
   84    H    ILE   4            HN      ILE   4  -7.759  -8.942  -8.942
   85    HA   ILE   4            HA      ILE   4  -9.907  -7.763  -7.763
   86    HB   ILE   4            HB      ILE   4 -10.039  -9.964  -9.964
   87   1HG1  ILE   4          HG12      ILE   4 -10.274 -10.788 -10.788
   88   2HG1  ILE   4          HG11      ILE   4 -10.996  -9.210  -9.210
   89   1HG2  ILE   4          HG23      ILE   4  -7.542 -10.384 -10.384
   90   2HG2  ILE   4          HG22      ILE   4  -8.435 -11.211 -11.211
   91   3HG2  ILE   4          HG21      ILE   4  -8.649 -11.692 -11.692
   92   1HD1  ILE   4          HD13      ILE   4 -11.504 -11.495 -11.495
   93   2HD1  ILE   4          HD12      ILE   4 -12.426 -11.332 -11.332
   94   3HD1  ILE   4          HD11      ILE   4 -12.473 -10.051 -10.051
   95    H    ALA   5            HN      ALA   5  -9.997  -6.861  -6.861
   96    HA   ALA   5            HA      ALA   5  -7.805  -7.095  -7.095
   97   1HB   ALA   5           HB2      ALA   5 -10.484  -5.699  -5.699
   98   2HB   ALA   5           HB1      ALA   5  -9.653  -5.916  -5.916
   99   3HB   ALA   5           HB3      ALA   5  -8.880  -5.006  -5.006
  100    H    LYS   6            HN      LYS   6  -7.701  -9.212  -9.212
  101    HA   LYS   6            HA      LYS   6  -9.836 -11.027 -11.027
  102   1HB   LYS   6           HB2      LYS   6  -7.253 -10.916 -10.916
  103   2HB   LYS   6           HB1      LYS   6  -8.311 -12.319 -12.319
  104   1HG   LYS   6           HG2      LYS   6  -7.838 -12.575 -12.575
  105   2HG   LYS   6           HG1      LYS   6  -7.189 -10.944 -10.944
  106   1HD   LYS   6           HD2      LYS   6  -5.288 -12.342 -12.342
  107   2HD   LYS   6           HD1      LYS   6  -5.371 -11.707 -11.707
  108   1HE   LYS   6           HE2      LYS   6  -6.800 -14.268 -14.268
  109   2HE   LYS   6           HE1      LYS   6  -5.049 -14.309 -14.309
  110   1HZ   LYS   6           HZ2      LYS   6  -5.664 -12.890 -12.890
  111   2HZ   LYS   6           HZ1      LYS   6  -7.128 -13.736 -13.736
  112   3HZ   LYS   6           HZ3      LYS   6  -5.675 -14.589 -14.589
  113    H    TYR   7            HN      TYR   7  -8.753  -8.458  -8.458
  114    HA   TYR   7            HA      TYR   7 -11.073  -9.061  -9.061
  115   1HB   TYR   7           HB2      TYR   7  -8.392  -8.446  -8.446
  116   2HB   TYR   7           HB1      TYR   7  -9.839  -9.031  -9.031
  117    HD1  TYR   7           HD1      TYR   7 -10.730 -11.370 -11.370
  118    HD2  TYR   7           HD2      TYR   7  -6.726  -9.934  -9.934
  119    HE1  TYR   7           HE1      TYR   7  -9.938 -13.701 -13.701
  120    HE2  TYR   7           HE2      TYR   7  -5.929 -12.255 -12.255
  121    HH   TYR   7            HH      TYR   7  -8.072 -14.886 -14.886
  122    H    ASP   8            HN      ASP   8 -10.852  -7.228  -7.228
  123    HA   ASP   8            HA      ASP   8 -11.015  -4.731  -4.731
  124   1HB   ASP   8           HB2      ASP   8 -12.428  -3.952  -3.952
  125   2HB   ASP   8           HB1      ASP   8 -12.910  -5.626  -5.626
  126    H    PHE   9            HN      PHE   9 -10.224  -2.717  -2.717
  127    HA   PHE   9            HA      PHE   9  -8.348  -2.621  -2.621
  128   1HB   PHE   9           HB2      PHE   9  -7.239  -4.011  -4.011
  129   2HB   PHE   9           HB1      PHE   9  -6.503  -2.413  -2.413
  130    HD1  PHE   9           HD1      PHE   9  -7.658  -4.475  -4.475
  131    HD2  PHE   9           HD2      PHE   9  -4.329  -2.699  -2.699
  132    HE1  PHE   9           HE1      PHE   9  -6.152  -5.138  -5.138
  133    HE2  PHE   9           HE2      PHE   9  -2.827  -3.359  -3.359
  134    HZ   PHE   9            HZ      PHE   9  -3.738  -4.578  -4.578
  135    H    LYS  10            HN      LYS  10  -6.704  -0.664  -0.664
  136    HA   LYS  10            HA      LYS  10  -7.972   1.353   1.353
  137   1HB   LYS  10           HB2      LYS  10  -8.159   2.992   2.992
  138   2HB   LYS  10           HB1      LYS  10  -9.006   1.535   1.535
  139   1HG   LYS  10           HG2      LYS  10  -6.322   1.204   1.204
  140   2HG   LYS  10           HG1      LYS  10  -6.761   2.860   2.860
  141   1HD   LYS  10           HD2      LYS  10  -8.450   0.440   0.440
  142   2HD   LYS  10           HD1      LYS  10  -7.307   1.195   1.195
  143   1HE   LYS  10           HE2      LYS  10  -8.544   3.369   3.369
  144   2HE   LYS  10           HE1      LYS  10  -9.760   2.467   2.467
  145   1HZ   LYS  10           HZ1      LYS  10  -8.953   1.927   1.927
  146   2HZ   LYS  10           HZ3      LYS  10 -10.371   2.723   2.723
  147   3HZ   LYS  10           HZ2      LYS  10 -10.144   1.086   1.086
  148    H    ALA  11            HN      ALA  11  -6.649   3.490   3.490
  149    HA   ALA  11            HA      ALA  11  -3.955   2.743   2.743
  150   1HB   ALA  11           HB3      ALA  11  -5.393   4.585   4.585
  151   2HB   ALA  11           HB2      ALA  11  -4.961   5.561   5.561
  152   3HB   ALA  11           HB1      ALA  11  -3.697   4.971   4.971
  153    H    THR  12            HN      THR  12  -2.143   2.958   2.958
  154    HA   THR  12            HA      THR  12  -2.624   4.194   4.194
  155    HB   THR  12            HB      THR  12  -0.683   2.671   2.671
  156    HG1  THR  12           HG1      THR  12  -0.484   0.828   0.828
  157   1HG2  THR  12          HG22      THR  12  -3.072   2.257   2.257
  158   2HG2  THR  12          HG21      THR  12  -3.239   1.356   1.356
  159   3HG2  THR  12          HG23      THR  12  -2.172   0.758   0.758
  160    H    ALA  13            HN      ALA  13  -1.855   5.779   5.779
  161    HA   ALA  13            HA      ALA  13   0.398   7.186   7.186
  162   1HB   ALA  13           HB2      ALA  13   0.977   5.174   5.174
  163   2HB   ALA  13           HB1      ALA  13   1.903   6.676   6.676
  164   3HB   ALA  13           HB3      ALA  13   1.914   5.538   5.538
  165    H    ASP  14            HN      ASP  14   1.276   8.694   8.694
  166    HA   ASP  14            HA      ASP  14  -1.015   9.988   9.988
  167   1HB   ASP  14           HB2      ASP  14   1.055  10.968  10.968
  168   2HB   ASP  14           HB1      ASP  14   1.844  10.764  10.764
  169    H    ASP  15            HN      ASP  15   0.874   7.451   7.451
  170    HA   ASP  15            HA      ASP  15   0.286   8.052   8.052
  171   1HB   ASP  15           HB2      ASP  15   2.930   7.546   7.546
  172   2HB   ASP  15           HB1      ASP  15   2.592   6.664   6.664
  173    H    GLU  16            HN      GLU  16  -0.929   6.316   6.316
  174    HA   GLU  16            HA      GLU  16  -0.467   3.647   3.647
  175   1HB   GLU  16           HB2      GLU  16  -0.194   4.028   4.028
  176   2HB   GLU  16           HB1      GLU  16  -1.949   4.165   4.165
  177   1HG   GLU  16           HG2      GLU  16  -2.272   1.950   1.950
  178   2HG   GLU  16           HG1      GLU  16  -0.878   1.847   1.847
  179    H    LEU  17            HN      LEU  17  -2.625   2.313   2.313
  180    HA   LEU  17            HA      LEU  17  -4.814   4.145   4.145
  181   1HB   LEU  17           HB2      LEU  17  -3.678   3.065   3.065
  182   2HB   LEU  17           HB1      LEU  17  -4.074   1.491   1.491
  183    HG   LEU  17            HG      LEU  17  -6.481   2.021   2.021
  184   1HD1  LEU  17          HD11      LEU  17  -5.407   4.690   4.690
  185   2HD1  LEU  17          HD13      LEU  17  -6.639   4.186   4.186
  186   3HD1  LEU  17          HD12      LEU  17  -7.006   4.226   4.226
  187   1HD2  LEU  17          HD21      LEU  17  -5.233   0.940   0.940
  188   2HD2  LEU  17          HD23      LEU  17  -6.653   1.847   1.847
  189   3HD2  LEU  17          HD22      LEU  17  -5.045   2.536   2.536
  190    H    SER  18            HN      SER  18  -6.883   3.635   3.635
  191    HA   SER  18            HA      SER  18  -7.235   1.522   1.522
  192   1HB   SER  18           HB2      SER  18  -9.245   3.524   3.524
  193   2HB   SER  18           HB1      SER  18  -8.945   2.782   2.782
  194    HG   SER  18            HG      SER  18  -8.229   5.002   5.002
  195    H    PHE  19            HN      PHE  19  -9.192   0.185   0.185
  196    HA   PHE  19            HA      PHE  19 -10.905   0.185   0.185
  197   1HB   PHE  19           HB2      PHE  19 -10.037  -1.793  -1.793
  198   2HB   PHE  19           HB1      PHE  19  -8.848  -0.492  -0.492
  199    HD1  PHE  19           HD1      PHE  19  -9.806  -3.677  -3.677
  200    HD2  PHE  19           HD2      PHE  19  -6.712  -0.766  -0.766
  201    HE1  PHE  19           HE1      PHE  19  -8.159  -5.185  -5.185
  202    HE2  PHE  19           HE2      PHE  19  -5.068  -2.271  -2.271
  203    HZ   PHE  19            HZ      PHE  19  -5.792  -4.481  -4.481
  204    H    LYS  20            HN      LYS  20 -12.243  -1.884  -1.884
  205    HA   LYS  20            HA      LYS  20 -12.371  -2.990  -2.990
  206   1HB   LYS  20           HB2      LYS  20 -14.556  -2.754  -2.754
  207   2HB   LYS  20           HB1      LYS  20 -14.754  -3.375  -3.375
  208   1HG   LYS  20           HG2      LYS  20 -13.530  -0.682  -0.682
  209   2HG   LYS  20           HG1      LYS  20 -15.275  -0.847  -0.847
  210   1HD   LYS  20           HD2      LYS  20 -15.509  -1.724  -1.724
  211   2HD   LYS  20           HD1      LYS  20 -13.763  -1.896  -1.896
  212   1HE   LYS  20           HE2      LYS  20 -13.440   0.348   0.348
  213   2HE   LYS  20           HE1      LYS  20 -14.792   0.825   0.825
  214   1HZ   LYS  20           HZ2      LYS  20 -15.295  -0.633  -0.633
  215   2HZ   LYS  20           HZ1      LYS  20 -14.998   1.040   1.040
  216   3HZ   LYS  20           HZ3      LYS  20 -16.312   0.436   0.436
  217    H    ARG  21            HN      ARG  21 -13.637  -5.172  -5.172
  218    HA   ARG  21            HA      ARG  21 -11.997  -7.026  -7.026
  219   1HB   ARG  21           HB2      ARG  21 -12.631  -7.663  -7.663
  220   2HB   ARG  21           HB1      ARG  21 -14.331  -7.374  -7.374
  221   1HG   ARG  21           HG2      ARG  21 -13.321  -9.265  -9.265
  222   2HG   ARG  21           HG1      ARG  21 -12.866  -9.806  -9.806
  223   1HD   ARG  21           HD2      ARG  21 -15.399  -9.045  -9.045
  224   2HD   ARG  21           HD1      ARG  21 -15.570  -9.506  -9.506
  225    HE   ARG  21            HE      ARG  21 -15.105 -11.772 -11.772
  226   1HH1  ARG  21          HH11      ARG  21 -12.837 -11.569 -11.569
  227   2HH1  ARG  21          HH12      ARG  21 -13.514 -11.902 -11.902
  228   1HH2  ARG  21          HH21      ARG  21 -16.784 -11.333 -11.333
  229   2HH2  ARG  21          HH22      ARG  21 -15.749 -11.769 -11.769
  230    H    GLY  22            HN      GLY  22 -12.426  -7.095  -7.095
  231   1HA   GLY  22           HA2      GLY  22 -13.905  -8.185  -8.185
  232   2HA   GLY  22           HA1      GLY  22 -15.270  -7.436  -7.436
  233    H    ASP  23            HN      ASP  23 -12.927  -5.111  -5.111
  234    HA   ASP  23            HA      ASP  23 -14.035  -3.702  -3.702
  235   1HB   ASP  23           HB2      ASP  23 -12.685  -3.092  -3.092
  236   2HB   ASP  23           HB1      ASP  23 -12.216  -2.070  -2.070
  237    H    ILE  24            HN      ILE  24 -12.989  -4.753  -4.753
  238    HA   ILE  24            HA      ILE  24 -10.172  -5.302  -5.302
  239    HB   ILE  24            HB      ILE  24 -11.746  -4.894  -4.894
  240   1HG1  ILE  24          HG12      ILE  24 -11.951  -7.110  -7.110
  241   2HG1  ILE  24          HG11      ILE  24 -13.259  -6.271  -6.271
  242   1HG2  ILE  24          HG23      ILE  24  -9.161  -5.493  -5.493
  243   2HG2  ILE  24          HG22      ILE  24  -9.824  -7.113  -7.113
  244   3HG2  ILE  24          HG21      ILE  24 -10.066  -6.190  -6.190
  245   1HD1  ILE  24          HD11      ILE  24 -12.127  -7.362  -7.362
  246   2HD1  ILE  24          HD13      ILE  24 -11.536  -8.518  -8.518
  247   3HD1  ILE  24          HD12      ILE  24 -13.271  -8.273  -8.273
  248    H    LEU  25            HN      LEU  25  -8.526  -4.006  -4.006
  249    HA   LEU  25            HA      LEU  25  -8.995  -1.150  -1.150
  250   1HB   LEU  25           HB2      LEU  25  -6.431  -2.548  -2.548
  251   2HB   LEU  25           HB1      LEU  25  -6.769  -0.817  -0.817
  252    HG   LEU  25            HG      LEU  25  -8.847  -1.714  -1.714
  253   1HD1  LEU  25          HD13      LEU  25  -7.203  -4.030  -4.030
  254   2HD1  LEU  25          HD12      LEU  25  -7.055  -3.491  -3.491
  255   3HD1  LEU  25          HD11      LEU  25  -8.648  -3.849  -3.849
  256   1HD2  LEU  25          HD21      LEU  25  -6.007  -1.187  -1.187
  257   2HD2  LEU  25          HD23      LEU  25  -7.337  -0.035  -0.035
  258   3HD2  LEU  25          HD22      LEU  25  -7.361  -1.317  -1.317
  259    H    LYS  26            HN      LYS  26  -7.234  -0.035  -0.035
  260    HA   LYS  26            HA      LYS  26  -6.819  -1.807  -1.807
  261   1HB   LYS  26           HB2      LYS  26  -7.324   1.127   1.127
  262   2HB   LYS  26           HB1      LYS  26  -6.382   0.597   0.597
  263   1HG   LYS  26           HG2      LYS  26  -8.207  -0.994  -0.994
  264   2HG   LYS  26           HG1      LYS  26  -9.161  -0.352  -0.352
  265   1HD   LYS  26           HD2      LYS  26  -9.458   1.724   1.724
  266   2HD   LYS  26           HD1      LYS  26  -8.039   1.525   1.525
  267   1HE   LYS  26           HE2      LYS  26  -9.272  -0.384  -0.384
  268   2HE   LYS  26           HE1      LYS  26 -10.713   0.132   0.132
  269   1HZ   LYS  26           HZ2      LYS  26 -10.479   2.330   2.330
  270   2HZ   LYS  26           HZ1      LYS  26  -9.111   1.811   1.811
  271   3HZ   LYS  26           HZ3      LYS  26 -10.630   1.135   1.135
  272    H    VAL  27            HN      VAL  27  -4.760  -2.658  -2.658
  273    HA   VAL  27            HA      VAL  27  -2.639  -1.600  -1.600
  274    HB   VAL  27            HB      VAL  27  -2.328  -3.191  -3.191
  275   1HG1  VAL  27          HG13      VAL  27  -0.289  -2.096  -2.096
  276   2HG1  VAL  27          HG12      VAL  27  -0.584  -3.137  -3.137
  277   3HG1  VAL  27          HG11      VAL  27  -0.207  -3.851  -3.851
  278   1HG2  VAL  27          HG22      VAL  27  -3.797  -3.913  -3.913
  279   2HG2  VAL  27          HG21      VAL  27  -3.085  -5.036  -5.036
  280   3HG2  VAL  27          HG23      VAL  27  -2.212  -4.617  -4.617
  281    H    LEU  28            HN      LEU  28  -1.591   0.196   0.196
  282    HA   LEU  28            HA      LEU  28  -1.471   1.764   1.764
  283   1HB   LEU  28           HB2      LEU  28  -1.505   2.313   2.313
  284   2HB   LEU  28           HB1      LEU  28  -0.093   3.069   3.069
  285    HG   LEU  28            HG      LEU  28  -1.483   4.248   4.248
  286   1HD1  LEU  28          HD11      LEU  28  -3.674   2.519   2.519
  287   2HD1  LEU  28          HD13      LEU  28  -4.043   4.030   4.030
  288   3HD1  LEU  28          HD12      LEU  28  -3.224   2.724   2.724
  289   1HD2  LEU  28          HD21      LEU  28  -2.039   4.396   4.396
  290   2HD2  LEU  28          HD23      LEU  28  -1.455   5.647   5.647
  291   3HD2  LEU  28          HD22      LEU  28  -3.171   5.257   5.257
  292    H    ASN  29            HN      ASN  29   0.545   0.024   0.024
  293    HA   ASN  29            HA      ASN  29   2.797   0.201   0.201
  294   1HB   ASN  29           HB2      ASN  29   2.953   1.873   1.873
  295   2HB   ASN  29           HB1      ASN  29   3.390   0.431   0.431
  296   1HD2  ASN  29          HD22      ASN  29   6.622   0.198   0.198
  297   2HD2  ASN  29          HD21      ASN  29   5.484  -0.466  -0.466
  298    H    GLU  30            HN      GLU  30   3.558  -1.763  -1.763
  299    HA   GLU  30            HA      GLU  30   2.989  -3.981  -3.981
  300   1HB   GLU  30           HB2      GLU  30   2.353  -3.751  -3.751
  301   2HB   GLU  30           HB1      GLU  30   3.846  -4.688  -4.688
  302   1HG   GLU  30           HG2      GLU  30   2.691  -6.058  -6.058
  303   2HG   GLU  30           HG1      GLU  30   1.210  -5.381  -5.381
  304    H    GLU  31            HN      GLU  31   4.760  -5.791  -5.791
  305    HA   GLU  31            HA      GLU  31   7.062  -6.359  -6.359
  306   1HB   GLU  31           HB2      GLU  31   7.835  -3.663  -3.663
  307   2HB   GLU  31           HB1      GLU  31   8.880  -4.814  -4.814
  308   1HG   GLU  31           HG2      GLU  31   6.897  -4.426  -4.426
  309   2HG   GLU  31           HG1      GLU  31   7.020  -2.828  -2.828
  310    H    CYS  32            HN      CYS  32   8.955  -6.639  -6.639
  311    HA   CYS  32            HA      CYS  32   7.949  -8.000  -8.000
  312   1HB   CYS  32           HB2      CYS  32  10.710  -6.828  -6.828
  313   2HB   CYS  32           HB1      CYS  32  10.286  -8.037  -8.037
  314    HG   CYS  32            HG      CYS  32  11.171  -9.261  -9.261
  315    H    ASP  33            HN      ASP  33   8.224  -7.526  -7.526
  316    HA   ASP  33            HA      ASP  33   8.855  -5.010  -5.010
  317   1HB   ASP  33           HB2      ASP  33   6.552  -4.680  -4.680
  318   2HB   ASP  33           HB1      ASP  33   5.950  -5.643  -5.643
  319    H    GLN  34            HN      GLN  34   8.199  -4.922  -4.922
  320    HA   GLN  34            HA      GLN  34   8.934  -7.338  -7.338
  321   1HB   GLN  34           HB2      GLN  34   7.864  -4.756  -4.756
  322   2HB   GLN  34           HB1      GLN  34   7.820  -6.127  -6.127
  323   1HG   GLN  34           HG2      GLN  34  10.341  -6.404  -6.404
  324   2HG   GLN  34           HG1      GLN  34  10.169  -4.668  -4.668
  325   1HE2  GLN  34          HE22      GLN  34   9.317  -4.248  -4.248
  326   2HE2  GLN  34          HE21      GLN  34   8.508  -3.943  -3.943
  327    H    ASN  35            HN      ASN  35   5.886  -5.731  -5.731
  328    HA   ASN  35            HA      ASN  35   4.320  -8.118  -8.118
  329   1HB   ASN  35           HB2      ASN  35   4.759  -7.196  -7.196
  330   2HB   ASN  35           HB1      ASN  35   3.156  -7.748  -7.748
  331   1HD2  ASN  35          HD22      ASN  35   4.472 -11.082 -11.082
  332   2HD2  ASN  35          HD21      ASN  35   3.536  -9.877  -9.877
  333    H    TRP  36            HN      TRP  36   4.564  -5.140  -5.140
  334    HA   TRP  36            HA      TRP  36   1.655  -4.618  -4.618
  335   1HB   TRP  36           HB2      TRP  36   3.526  -2.363  -2.363
  336   2HB   TRP  36           HB1      TRP  36   1.768  -2.370  -2.370
  337    HD1  TRP  36           HD1      TRP  36   4.550  -4.565  -4.565
  338    HE1  TRP  36           HE1      TRP  36   4.024  -4.708  -4.708
  339    HE3  TRP  36           HE3      TRP  36   0.218  -1.746  -1.746
  340    HZ2  TRP  36           HZ2      TRP  36   2.143  -3.760  -3.760
  341    HZ3  TRP  36           HZ3      TRP  36  -0.847  -1.374  -1.374
  342    HH2  TRP  36           HH2      TRP  36   0.093  -2.381  -2.381
  343    H    TYR  37            HN      TYR  37   0.983  -3.634  -3.634
  344    HA   TYR  37            HA      TYR  37   3.072  -2.848  -2.848
  345   1HB   TYR  37           HB2      TYR  37   0.117  -3.301  -3.301
  346   2HB   TYR  37           HB1      TYR  37   1.423  -3.257  -3.257
  347    HD1  TYR  37           HD2      TYR  37   3.425  -5.092  -5.092
  348    HD2  TYR  37           HD1      TYR  37  -0.860  -5.346  -5.346
  349    HE1  TYR  37           HE2      TYR  37   3.567  -7.569  -7.569
  350    HE2  TYR  37           HE1      TYR  37  -0.740  -7.809  -7.809
  351    HH   TYR  37            HH      TYR  37   1.894  -9.524  -9.524
  352    H    LYS  38            HN      LYS  38   1.181  -1.310  -1.310
  353    HA   LYS  38            HA      LYS  38   0.401   0.941   0.941
  354   1HB   LYS  38           HB2      LYS  38   1.406   1.045   1.045
  355   2HB   LYS  38           HB1      LYS  38   0.680   2.402   2.402
  356   1HG   LYS  38           HG2      LYS  38   2.465   2.087   2.087
  357   2HG   LYS  38           HG1      LYS  38   3.275   1.019   1.019
  358   1HD   LYS  38           HD2      LYS  38   3.933   2.746   2.746
  359   2HD   LYS  38           HD1      LYS  38   2.343   3.522   3.522
  360   1HE   LYS  38           HE2      LYS  38   2.947   4.236   4.236
  361   2HE   LYS  38           HE1      LYS  38   4.594   3.699   3.699
  362   1HZ   LYS  38           HZ2      LYS  38   3.130   5.644   5.644
  363   2HZ   LYS  38           HZ1      LYS  38   4.175   6.100   6.100
  364   3HZ   LYS  38           HZ3      LYS  38   4.779   5.247   5.247
  365    H    ALA  39            HN      ALA  39  -1.509   2.150   2.150
  366    HA   ALA  39            HA      ALA  39  -3.004   1.020   1.020
  367   1HB   ALA  39           HB3      ALA  39  -3.656  -0.267  -0.267
  368   2HB   ALA  39           HB2      ALA  39  -4.820  -0.226  -0.226
  369   3HB   ALA  39           HB1      ALA  39  -3.281  -1.065  -1.065
  370    H    GLU  40            HN      GLU  40  -5.469   1.284   1.284
  371    HA   GLU  40            HA      GLU  40  -6.026   3.618   3.618
  372   1HB   GLU  40           HB2      GLU  40  -5.681   5.154   5.154
  373   2HB   GLU  40           HB1      GLU  40  -4.931   3.901   3.901
  374   1HG   GLU  40           HG2      GLU  40  -7.067   3.475   3.475
  375   2HG   GLU  40           HG1      GLU  40  -7.895   4.605   4.605
  376    H    LEU  41            HN      LEU  41  -7.974   3.701   3.701
  377    HA   LEU  41            HA      LEU  41  -9.980   1.904   1.904
  378   1HB   LEU  41           HB2      LEU  41  -9.558   2.929   2.929
  379   2HB   LEU  41           HB1      LEU  41 -11.225   2.628   2.628
  380    HG   LEU  41            HG      LEU  41  -9.094   0.617   0.617
  381   1HD1  LEU  41          HD11      LEU  41 -10.656   1.012   1.012
  382   2HD1  LEU  41          HD13      LEU  41  -9.791  -0.470  -0.470
  383   3HD1  LEU  41          HD12      LEU  41  -8.903   1.038   1.038
  384   1HD2  LEU  41          HD22      LEU  41 -11.446   0.624   0.624
  385   2HD2  LEU  41          HD21      LEU  41 -10.958  -0.861  -0.861
  386   3HD2  LEU  41          HD23      LEU  41 -12.028   0.289   0.289
  387    H    ASN  42            HN      ASN  42 -10.743   2.937   2.937
  388    HA   ASN  42            HA      ASN  42 -11.913   4.555   4.555
  389   1HB   ASN  42           HB2      ASN  42 -13.309   3.987   3.987
  390   2HB   ASN  42           HB1      ASN  42 -13.930   5.319   5.319
  391   1HD2  ASN  42          HD22      ASN  42 -15.677   2.997   2.997
  392   2HD2  ASN  42          HD21      ASN  42 -15.709   4.451   4.451
  393    H    GLY  43            HN      GLY  43  -9.764   5.812   5.812
  394   1HA   GLY  43           HA2      GLY  43  -9.775   8.431   8.431
  395   2HA   GLY  43           HA1      GLY  43 -10.978   8.419   8.419
  396    H    LYS  44            HN      LYS  44  -9.710   6.444   6.444
  397    HA   LYS  44            HA      LYS  44  -7.630   8.069   8.069
  398   1HB   LYS  44           HB2      LYS  44  -9.258   5.725   5.725
  399   2HB   LYS  44           HB1      LYS  44  -7.674   5.994   5.994
  400   1HG   LYS  44           HG2      LYS  44  -8.258   8.020   8.020
  401   2HG   LYS  44           HG1      LYS  44  -9.528   8.313   8.313
  402   1HD   LYS  44           HD2      LYS  44 -10.550   7.790   7.790
  403   2HD   LYS  44           HD1      LYS  44 -10.871   6.478   6.478
  404   1HE   LYS  44           HE2      LYS  44  -8.611   5.512   5.512
  405   2HE   LYS  44           HE1      LYS  44  -9.042   6.531   6.531
  406   1HZ   LYS  44           HZ1      LYS  44 -11.210   4.920   4.920
  407   2HZ   LYS  44           HZ3      LYS  44  -9.951   4.041   4.041
  408   3HZ   LYS  44           HZ2      LYS  44 -10.776   5.227   5.227
  409    H    ASP  45            HN      ASP  45  -5.726   6.763   6.763
  410    HA   ASP  45            HA      ASP  45  -4.967   4.516   4.516
  411   1HB   ASP  45           HB2      ASP  45  -3.787   5.397   5.397
  412   2HB   ASP  45           HB1      ASP  45  -4.900   6.726   6.726
  413    H    GLY  46            HN      GLY  46  -2.393   4.311   4.311
  414   1HA   GLY  46           HA2      GLY  46  -0.487   5.110   5.110
  415   2HA   GLY  46           HA1      GLY  46  -1.608   4.887   4.887
  416    H    PHE  47            HN      PHE  47   0.200   3.448   3.448
  417    HA   PHE  47            HA      PHE  47   0.655   0.969   0.969
  418   1HB   PHE  47           HB2      PHE  47   1.449   1.939   1.939
  419   2HB   PHE  47           HB1      PHE  47   1.905   0.356   0.356
  420    HD1  PHE  47           HD2      PHE  47   3.209   0.250   0.250
  421    HD2  PHE  47           HD1      PHE  47   2.675   3.871   3.871
  422    HE1  PHE  47           HE2      PHE  47   5.132   1.271   1.271
  423    HE2  PHE  47           HE1      PHE  47   4.600   4.892   4.892
  424    HZ   PHE  47            HZ      PHE  47   5.828   3.593   3.593
  425    H    ILE  48            HN      ILE  48  -0.198  -1.110  -1.110
  426    HA   ILE  48            HA      ILE  48  -2.182  -1.196  -1.196
  427    HB   ILE  48            HB      ILE  48  -3.521  -2.764  -2.764
  428   1HG1  ILE  48          HG12      ILE  48  -1.670  -1.751  -1.751
  429   2HG1  ILE  48          HG11      ILE  48  -1.617  -3.376  -3.376
  430   1HG2  ILE  48          HG22      ILE  48  -3.025   0.117   0.117
  431   2HG2  ILE  48          HG21      ILE  48  -4.061  -0.785  -0.785
  432   3HG2  ILE  48          HG23      ILE  48  -4.486  -0.664  -0.664
  433   1HD1  ILE  48          HD13      ILE  48  -4.295  -2.497  -2.497
  434   2HD1  ILE  48          HD12      ILE  48  -3.111  -2.692  -2.692
  435   3HD1  ILE  48          HD11      ILE  48  -3.485  -4.047  -4.047
  436    HA   PRO  49            HA      PRO  49   0.458  -4.630  -4.630
  437   1HB   PRO  49           HB2      PRO  49  -1.155  -5.757  -5.757
  438   2HB   PRO  49           HB1      PRO  49  -0.076  -4.379  -4.379
  439   1HG   PRO  49           HG2      PRO  49  -3.062  -4.411  -4.411
  440   2HG   PRO  49           HG1      PRO  49  -2.070  -3.283  -3.283
  441   1HD   PRO  49           HD2      PRO  49  -3.105  -2.701  -2.701
  442   2HD   PRO  49           HD1      PRO  49  -1.748  -1.873  -1.873
  443    H    LYS  50            HN      LYS  50   0.385  -5.954  -5.954
  444    HA   LYS  50            HA      LYS  50  -1.659  -7.242  -7.242
  445   1HB   LYS  50           HB2      LYS  50   0.618  -7.194  -7.194
  446   2HB   LYS  50           HB1      LYS  50   1.161  -8.127  -8.127
  447   1HG   LYS  50           HG2      LYS  50  -0.769  -9.769  -9.769
  448   2HG   LYS  50           HG1      LYS  50   0.000  -9.037  -9.037
  449   1HD   LYS  50           HD2      LYS  50   1.985 -10.098 -10.098
  450   2HD   LYS  50           HD1      LYS  50   1.894  -9.888  -9.888
  451   1HE   LYS  50           HE2      LYS  50   1.585 -12.176 -12.176
  452   2HE   LYS  50           HE1      LYS  50  -0.094 -11.664 -11.664
  453   1HZ   LYS  50           HZ1      LYS  50   1.599 -11.911 -11.911
  454   2HZ   LYS  50           HZ3      LYS  50   0.938 -13.309 -13.309
  455   3HZ   LYS  50           HZ2      LYS  50  -0.087 -12.069 -12.069
  456    H    ASN  51            HN      ASN  51  -0.541  -8.132  -8.132
  457    HA   ASN  51            HA      ASN  51  -1.271 -10.791 -10.791
  458   1HB   ASN  51           HB2      ASN  51  -0.885  -8.668  -8.668
  459   2HB   ASN  51           HB1      ASN  51  -1.717 -10.075 -10.075
  460   1HD2  ASN  51          HD22      ASN  51   1.219 -12.016 -12.016
  461   2HD2  ASN  51          HD21      ASN  51  -0.438 -11.894 -11.894
  462    H    TYR  52            HN      TYR  52  -3.185  -7.944  -7.944
  463    HA   TYR  52            HA      TYR  52  -5.675  -9.487  -9.487
  464   1HB   TYR  52           HB2      TYR  52  -4.978  -6.542  -6.542
  465   2HB   TYR  52           HB1      TYR  52  -6.634  -7.086  -7.086
  466    HD1  TYR  52           HD1      TYR  52  -3.723  -8.635  -8.635
  467    HD2  TYR  52           HD2      TYR  52  -7.349  -6.390  -6.390
  468    HE1  TYR  52           HE1      TYR  52  -3.659  -8.763  -8.763
  469    HE2  TYR  52           HE2      TYR  52  -7.285  -6.531  -6.531
  470    HH   TYR  52            HH      TYR  52  -4.633  -7.307  -7.307
  471    H    ILE  53            HN      ILE  53  -4.142  -9.575  -9.575
  472    HA   ILE  53            HA      ILE  53  -6.205  -8.711  -8.711
  473    HB   ILE  53            HB      ILE  53  -3.570  -7.797  -7.797
  474   1HG1  ILE  53          HG12      ILE  53  -5.241  -6.110  -6.110
  475   2HG1  ILE  53          HG11      ILE  53  -3.783  -6.965  -6.965
  476   1HG2  ILE  53          HG22      ILE  53  -6.418  -7.113  -7.113
  477   2HG2  ILE  53          HG21      ILE  53  -5.235  -5.827  -5.827
  478   3HG2  ILE  53          HG23      ILE  53  -5.116  -7.296  -7.296
  479   1HD1  ILE  53          HD13      ILE  53  -2.891  -5.722  -5.722
  480   2HD1  ILE  53          HD12      ILE  53  -4.083  -4.556  -4.556
  481   3HD1  ILE  53          HD11      ILE  53  -2.749  -5.037  -5.037
  482    H    GLU  54            HN      GLU  54  -5.632  -9.183  -9.183
  483    HA   GLU  54            HA      GLU  54  -3.645 -11.153 -11.153
  484   1HB   GLU  54           HB2      GLU  54  -6.460 -11.829 -11.829
  485   2HB   GLU  54           HB1      GLU  54  -5.753 -12.362 -12.362
  486   1HG   GLU  54           HG2      GLU  54  -4.224 -12.858 -12.858
  487   2HG   GLU  54           HG1      GLU  54  -5.608 -13.895 -13.895
  488    H    MET  55            HN      MET  55  -3.345 -11.378 -11.378
  489    HA   MET  55            HA      MET  55  -4.179  -8.885  -8.885
  490   1HB   MET  55           HB2      MET  55  -1.758  -9.849  -9.849
  491   2HB   MET  55           HB1      MET  55  -2.274 -10.877 -10.877
  492   1HG   MET  55           HG2      MET  55  -2.852  -8.940  -8.940
  493   2HG   MET  55           HG1      MET  55  -2.528  -7.859  -7.859
  494   1HE   MET  55           HE2      MET  55  -1.799  -7.927  -7.927
  495   2HE   MET  55           HE1      MET  55  -0.386  -6.910  -6.910
  496   3HE   MET  55           HE3      MET  55  -0.210  -8.488  -8.488
  497    H    LYS  56            HN      LYS  56  -6.005  -8.979  -8.979
  498    HA   LYS  56            HA      LYS  56  -6.559 -11.412 -11.412
  499   1HB   LYS  56           HB2      LYS  56  -8.216  -9.384  -9.384
  500   2HB   LYS  56           HB1      LYS  56  -8.822 -10.114 -10.114
  501   1HG   LYS  56           HG2      LYS  56  -8.615 -12.327 -12.327
  502   2HG   LYS  56           HG1      LYS  56  -7.735 -11.701 -11.701
  503   1HD   LYS  56           HD2      LYS  56 -10.101 -12.191 -12.191
  504   2HD   LYS  56           HD1      LYS  56  -9.739 -10.474 -10.474
  505   1HE   LYS  56           HE2      LYS  56 -10.684 -10.075 -10.075
  506   2HE   LYS  56           HE1      LYS  56 -11.092 -11.788 -11.788
  507   1HZ   LYS  56           HZ3      LYS  56 -12.027 -10.310 -10.310
  508   2HZ   LYS  56           HZ2      LYS  56 -12.820 -10.036 -10.036
  509   3HZ   LYS  56           HZ1      LYS  56 -12.753 -11.602 -11.602
  510    HA   PRO  57            HA      PRO  57  -6.082  -9.290  -9.290
  511   1HB   PRO  57           HB2      PRO  57  -7.665 -10.748 -10.748
  512   2HB   PRO  57           HB1      PRO  57  -6.071 -11.275 -11.275
  513   1HG   PRO  57           HG2      PRO  57  -8.749 -12.171 -12.171
  514   2HG   PRO  57           HG1      PRO  57  -7.213 -13.016 -13.016
  515   1HD   PRO  57           HD2      PRO  57  -8.518 -11.750 -11.750
  516   2HD   PRO  57           HD1      PRO  57  -6.849 -12.358 -12.358
  517    H    HIS  58            HN      HIS  58  -6.990  -7.430  -7.430
  518    HA   HIS  58            HA      HIS  58  -9.928  -7.227  -7.227
  519   1HB   HIS  58           HB2      HIS  58  -8.251  -5.475  -5.475
  520   2HB   HIS  58           HB1      HIS  58  -9.821  -4.963  -4.963
  521    HD1  HIS  58           HD1      HIS  58 -11.909  -6.085  -6.085
  522    HD2  HIS  58           HD2      HIS  58  -8.336  -7.725  -7.725
  523    HE1  HIS  58           HE1      HIS  58 -12.524  -7.611  -7.611
  524    HA   PRO  59            HA      PRO  59  -8.746  -4.768  -4.768
  525   1HB   PRO  59           HB2      PRO  59 -10.771  -2.910  -2.910
  526   2HB   PRO  59           HB1      PRO  59 -10.942  -4.605  -4.605
  527   1HG   PRO  59           HG2      PRO  59 -11.985  -3.233  -3.233
  528   2HG   PRO  59           HG1      PRO  59 -12.624  -4.651  -4.651
  529   1HD   PRO  59           HD2      PRO  59 -11.133  -4.721  -4.721
  530   2HD   PRO  59           HD1      PRO  59 -11.434  -6.107  -6.107
  531    H    GLU  60            HN      GLU  60  -9.042  -1.999  -1.999
  532    HA   GLU  60            HA      GLU  60  -7.850  -0.612  -0.612
  533   1HB   GLU  60           HB2      GLU  60  -5.957   0.208   0.208
  534   2HB   GLU  60           HB1      GLU  60  -5.903  -1.524  -1.524
  535   1HG   GLU  60           HG2      GLU  60  -7.017  -1.947  -1.947
  536   2HG   GLU  60           HG1      GLU  60  -6.962  -0.217  -0.217
  537    H    PHE  61            HN      PHE  61  -8.955  -0.317  -0.317
  538    HA   PHE  61            HA      PHE  61  -9.443   2.581   2.581
  539   1HB   PHE  61           HB2      PHE  61  -8.142   1.643   1.643
  540   2HB   PHE  61           HB1      PHE  61  -9.748   1.271   1.271
  541    HD1  PHE  61           HD1      PHE  61  -7.957   4.101   4.101
  542    HD2  PHE  61           HD2      PHE  61 -10.814   2.907   2.907
  543    HE1  PHE  61           HE1      PHE  61  -8.252   6.472   6.472
  544    HE2  PHE  61           HE2      PHE  61 -11.107   5.277   5.277
  545    HZ   PHE  61            HZ      PHE  61  -9.827   7.059   7.059
  546    H    ILE  62            HN      ILE  62 -11.429   2.897   2.897
  547    HA   ILE  62            HA      ILE  62 -13.778   2.041   2.041
  548    HB   ILE  62            HB      ILE  62 -13.314   1.203   1.203
  549   1HG1  ILE  62          HG12      ILE  62 -14.477  -0.894  -0.894
  550   2HG1  ILE  62          HG11      ILE  62 -13.535  -0.134  -0.134
  551   1HG2  ILE  62          HG22      ILE  62 -15.901   1.606   1.606
  552   2HG2  ILE  62          HG21      ILE  62 -15.778   0.329   0.329
  553   3HG2  ILE  62          HG23      ILE  62 -15.516   2.012   2.012
  554   1HD1  ILE  62          HD13      ILE  62 -12.185  -0.481  -0.481
  555   2HD1  ILE  62          HD12      ILE  62 -12.478  -1.942  -1.942
  556   3HD1  ILE  62          HD11      ILE  62 -11.525  -0.625  -0.625
  557    H    VAL  63            HN      VAL  63 -14.315   4.186   4.186
  558    HA   VAL  63            HA      VAL  63 -14.043   6.368   6.368
  559    HB   VAL  63            HB      VAL  63 -15.693   7.523   7.523
  560   1HG1  VAL  63          HG11      VAL  63 -13.597   5.862   5.862
  561   2HG1  VAL  63          HG13      VAL  63 -14.335   7.340   7.340
  562   3HG1  VAL  63          HG12      VAL  63 -13.309   7.402   7.402
  563   1HG2  VAL  63          HG22      VAL  63 -16.197   4.700   4.700
  564   2HG2  VAL  63          HG21      VAL  63 -17.287   6.086   6.086
  565   3HG2  VAL  63          HG23      VAL  63 -16.128   5.853   5.853
  566    H    THR  64            HN      THR  64 -14.986   6.434   6.434
  567    HA   THR  64            HA      THR  64 -17.810   5.472   5.472
  568    HB   THR  64            HB      THR  64 -16.310   4.166   4.166
  569    HG1  THR  64           HG1      THR  64 -18.167   4.542   4.542
  570   1HG2  THR  64          HG23      THR  64 -15.394   6.855   6.855
  571   2HG2  THR  64          HG22      THR  64 -14.943   5.298   5.298
  572   3HG2  THR  64          HG21      THR  64 -14.430   5.716   5.716
  573    H    ASP  65            HN      ASP  65 -15.544   8.078   8.078
  574    HA   ASP  65            HA      ASP  65 -17.311   9.675   9.675
  575   1HB   ASP  65           HB2      ASP  65 -14.772   9.962   9.962
  576   2HB   ASP  65           HB1      ASP  65 -15.212  10.805  10.805
  577   1H    SER   1           HT1      SER   1  -2.566 -18.821 -18.821
  578   2H    SER   1           HT3      SER   1  -1.270 -18.081 -18.081
  579   3H    SER   1           HT2      SER   1  -1.029 -18.788 -18.788
  580    HA   SER   1            HA      SER   1  -1.123 -16.436 -16.436
  581   1HB   SER   1           HB2      SER   1  -3.473 -16.765 -16.765
  582   2HB   SER   1           HB1      SER   1  -3.546 -15.487 -15.487
  583    HG   SER   1            HG      SER   1  -2.175 -15.574 -15.574
  584    HA   PRO   2            HA      PRO   2  -3.553 -18.442 -18.442
  585   1HB   PRO   2           HB2      PRO   2  -1.698 -18.006 -18.006
  586   2HB   PRO   2           HB1      PRO   2  -1.694 -19.432 -19.432
  587   1HG   PRO   2           HG2      PRO   2   0.110 -17.052 -17.052
  588   2HG   PRO   2           HG1      PRO   2   0.416 -18.706 -18.706
  589   1HD   PRO   2           HD2      PRO   2  -0.231 -16.491 -16.491
  590   2HD   PRO   2           HD1      PRO   2  -0.237 -18.199 -18.199
  591    H    LEU   3            HN      LEU   3  -2.575 -15.290 -15.290
  592    HA   LEU   3            HA      LEU   3  -4.473 -14.187 -14.187
  593   1HB   LEU   3           HB2      LEU   3  -2.968 -12.726 -12.726
  594   2HB   LEU   3           HB1      LEU   3  -2.201 -14.307 -14.307
  595    HG   LEU   3            HG      LEU   3  -1.517 -12.013 -12.013
  596   1HD1  LEU   3          HD11      LEU   3  -0.768 -12.146 -12.146
  597   2HD1  LEU   3          HD13      LEU   3   0.375 -13.337 -13.337
  598   3HD1  LEU   3          HD12      LEU   3   0.393 -11.689 -11.689
  599   1HD2  LEU   3          HD22      LEU   3  -0.766 -14.916 -14.916
  600   2HD2  LEU   3          HD21      LEU   3  -1.023 -13.844 -13.844
  601   3HD2  LEU   3          HD23      LEU   3   0.471 -13.742 -13.742
  602    H    LEU   4            HN      LEU   4  -5.687 -12.839 -12.839
  603    HA   LEU   4            HA      LEU   4  -4.594 -11.772 -11.772
  604   1HB   LEU   4           HB2      LEU   4  -7.152 -12.524 -12.524
  605   2HB   LEU   4           HB1      LEU   4  -7.244 -10.767 -10.767
  606    HG   LEU   4            HG      LEU   4  -5.862 -12.115 -12.115
  607   1HD1  LEU   4          HD13      LEU   4  -8.803 -12.475 -12.475
  608   2HD1  LEU   4          HD12      LEU   4  -8.168 -12.558 -12.558
  609   3HD1  LEU   4          HD11      LEU   4  -7.618 -13.710 -13.710
  610   1HD2  LEU   4          HD23      LEU   4  -6.832  -9.586  -9.586
  611   2HD2  LEU   4          HD22      LEU   4  -6.461 -10.197 -10.197
  612   3HD2  LEU   4          HD21      LEU   4  -8.117 -10.261 -10.261
  613    HA   PRO   5            HA      PRO   5  -5.347  -7.612  -7.612
  614   1HB   PRO   5           HB2      PRO   5  -6.062  -7.599  -7.599
  615   2HB   PRO   5           HB1      PRO   5  -7.232  -7.606  -7.606
  616   1HG   PRO   5           HG2      PRO   5  -6.466  -9.833  -9.833
  617   2HG   PRO   5           HG1      PRO   5  -7.973  -9.588  -9.588
  618   1HD   PRO   5           HD2      PRO   5  -5.866 -11.348 -11.348
  619   2HD   PRO   5           HD1      PRO   5  -7.237 -10.881 -10.881
  620    H    LYS   6            HN      LYS   6  -3.105  -7.300  -7.300
  621    HA   LYS   6            HA      LYS   6  -1.672  -6.960  -6.960
  622   1HB   LYS   6           HB2      LYS   6  -1.561  -9.666  -9.666
  623   2HB   LYS   6           HB1      LYS   6   0.029  -8.953  -8.953
  624   1HG   LYS   6           HG2      LYS   6  -1.833  -8.522  -8.522
  625   2HG   LYS   6           HG1      LYS   6  -1.502 -10.225 -10.225
  626   1HD   LYS   6           HD2      LYS   6   0.958  -9.672  -9.672
  627   2HD   LYS   6           HD1      LYS   6   0.533  -8.040  -8.040
  628   1HE   LYS   6           HE2      LYS   6  -0.729 -10.188 -10.188
  629   2HE   LYS   6           HE1      LYS   6   1.028 -10.123 -10.123
  630   1HZ   LYS   6           HZ1      LYS   6  -0.775  -7.796  -7.796
  631   2HZ   LYS   6           HZ3      LYS   6  -0.105  -8.709  -8.709
  632   3HZ   LYS   6           HZ2      LYS   6   0.907  -7.819  -7.819
  633    H    LEU   7            HN      LEU   7  -0.195  -8.435  -8.435
  634    HA   LEU   7            HA      LEU   7   1.382  -7.537  -7.537
  635   1HB   LEU   7           HB2      LEU   7  -0.851  -5.569  -5.569
  636   2HB   LEU   7           HB1      LEU   7   0.625  -5.043  -5.043
  637    HG   LEU   7            HG      LEU   7  -0.648  -7.698  -7.698
  638   1HD1  LEU   7          HD11      LEU   7  -2.223  -5.646  -5.646
  639   2HD1  LEU   7          HD13      LEU   7  -1.152  -5.191  -5.191
  640   3HD1  LEU   7          HD12      LEU   7  -2.020  -6.727  -6.727
  641   1HD2  LEU   7          HD23      LEU   7   1.742  -6.974  -6.974
  642   2HD2  LEU   7          HD22      LEU   7   0.687  -7.581  -7.581
  643   3HD2  LEU   7          HD21      LEU   7   0.945  -5.845  -5.845
  644    HA   PRO   8            HA      PRO   8   3.643  -5.206  -5.206
  645   1HB   PRO   8           HB2      PRO   8   5.941  -6.711  -6.711
  646   2HB   PRO   8           HB1      PRO   8   4.561  -7.115  -7.115
  647   1HG   PRO   8           HG2      PRO   8   5.431  -8.404  -8.404
  648   2HG   PRO   8           HG1      PRO   8   4.503  -9.091  -9.091
  649   1HD   PRO   8           HD2      PRO   8   3.438  -8.188  -8.188
  650   2HD   PRO   8           HD1      PRO   8   2.507  -8.589  -8.589
  651    HA   PRO   9            HA      PRO   9   5.897  -2.933  -2.933
  652   1HB   PRO   9           HB2      PRO   9   7.218  -1.163  -1.163
  653   2HB   PRO   9           HB1      PRO   9   5.499  -1.017  -1.017
  654   1HG   PRO   9           HG2      PRO   9   6.749  -1.900  -1.900
  655   2HG   PRO   9           HG1      PRO   9   5.156  -1.174  -1.174
  656   1HD   PRO   9           HD2      PRO   9   5.683  -3.932  -3.932
  657   2HD   PRO   9           HD1      PRO   9   4.151  -3.230  -3.230
  658    H    LYS  10            HN      LYS  10   7.872  -3.437  -3.437
  659    HA   LYS  10            HA      LYS  10  10.390  -3.558  -3.558
  660   1HB   LYS  10           HB2      LYS  10   9.796  -3.397  -3.397
  661   2HB   LYS  10           HB1      LYS  10   9.846  -5.159  -5.159
  662   1HG   LYS  10           HG2      LYS  10  12.124  -5.142  -5.142
  663   2HG   LYS  10           HG1      LYS  10  12.089  -3.392  -3.392
  664   1HD   LYS  10           HD2      LYS  10  11.818  -3.063  -3.063
  665   2HD   LYS  10           HD1      LYS  10  11.790  -4.809  -4.809
  666   1HE   LYS  10           HE2      LYS  10  14.070  -5.019  -5.019
  667   2HE   LYS  10           HE1      LYS  10  14.110  -3.313  -3.313
  668   1HZ   LYS  10           HZ2      LYS  10  13.728  -4.336  -4.336
  669   2HZ   LYS  10           HZ1      LYS  10  15.195  -3.747  -3.747
  670   3HZ   LYS  10           HZ3      LYS  10  13.866  -2.707  -2.707
  671    H    THR  11            HN      THR  11  11.344  -5.164  -5.164
  672    HA   THR  11            HA      THR  11   9.871  -7.736  -7.736
  673    HB   THR  11            HB      THR  11  12.195  -7.276  -7.276
  674    HG1  THR  11           HG1      THR  11  11.655  -5.257  -5.257
  675   1HG2  THR  11          HG23      THR  11  10.164  -8.979  -8.979
  676   2HG2  THR  11          HG22      THR  11   9.367  -7.653  -7.653
  677   3HG2  THR  11          HG21      THR  11  10.851  -8.347  -8.347
  678    H    TYR  12            HN      TYR  12  11.940  -9.378  -9.378
  679    HA   TYR  12            HA      TYR  12  13.688  -9.530  -9.530
  680   1HB   TYR  12           HB2      TYR  12  11.844 -11.350 -11.350
  681   2HB   TYR  12           HB1      TYR  12  13.048 -11.932 -11.932
  682    HD1  TYR  12           HD2      TYR  12  15.336 -12.577 -12.577
  683    HD2  TYR  12           HD1      TYR  12  12.129 -11.643 -11.643
  684    HE1  TYR  12           HE2      TYR  12  16.573 -13.675 -13.675
  685    HE2  TYR  12           HE1      TYR  12  13.366 -12.741 -12.741
  686    HH   TYR  12            HH      TYR  12  15.638 -14.841 -14.841
  687    H    LYS  13            HN      LYS  13  15.891 -10.117 -10.117
  688    HA   LYS  13            HA      LYS  13  17.916 -10.224 -10.224
  689   1HB   LYS  13           HB2      LYS  13  16.361 -12.003 -12.003
  690   2HB   LYS  13           HB1      LYS  13  16.518 -10.825 -10.825
  691   1HG   LYS  13           HG2      LYS  13  18.391 -12.132 -12.132
  692   2HG   LYS  13           HG1      LYS  13  19.081 -10.914 -10.914
  693   1HD   LYS  13           HD2      LYS  13  19.129 -12.359 -12.359
  694   2HD   LYS  13           HD1      LYS  13  17.862 -13.395 -13.395
  695   1HE   LYS  13           HE2      LYS  13  19.321 -14.585 -14.585
  696   2HE   LYS  13           HE1      LYS  13  20.359 -13.190 -13.190
  697   1HZ   LYS  13           HZ1      LYS  13  20.183 -14.639 -14.639
  698   2HZ   LYS  13           HZ3      LYS  13  21.392 -14.895 -14.895
  699   3HZ   LYS  13           HZ2      LYS  13  21.261 -13.385 -13.385
  700    H    ARG  14            HN      ARG  14  19.178  -8.826  -8.826
  701    HA   ARG  14            HA      ARG  14  19.686  -6.820  -6.820
  702   1HB   ARG  14           HB2      ARG  14  17.851  -8.047  -8.047
  703   2HB   ARG  14           HB1      ARG  14  16.977  -6.565  -6.565
  704   1HG   ARG  14           HG2      ARG  14  18.174  -5.826  -5.826
  705   2HG   ARG  14           HG1      ARG  14  19.337  -5.456  -5.456
  706   1HD   ARG  14           HD2      ARG  14  19.488  -8.216  -8.216
  707   2HD   ARG  14           HD1      ARG  14  19.919  -6.956  -6.956
  708    HE   ARG  14            HE      ARG  14  21.194  -6.793  -6.793
  709   1HH1  ARG  14          HH11      ARG  14  22.251  -5.382  -5.382
  710   2HH1  ARG  14          HH12      ARG  14  23.567  -6.404  -6.404
  711   1HH2  ARG  14          HH21      ARG  14  22.500  -9.106  -9.106
  712   2HH2  ARG  14          HH22      ARG  14  23.708  -8.512  -8.512
  713    H    GLU  15            HN      GLU  15  19.829  -5.160  -5.160
  714    HA   GLU  15            HA      GLU  15  17.299  -3.747  -3.747
  715   1HB   GLU  15           HB2      GLU  15  19.503  -4.692  -4.692
  716   2HB   GLU  15           HB1      GLU  15  18.515  -3.295  -3.295
  717   1HG   GLU  15           HG2      GLU  15  17.396  -6.017  -6.017
  718   2HG   GLU  15           HG1      GLU  15  17.619  -5.443  -5.443

  Start of MODEL   28
    1   1H    GLY  -8           HT1      GLY  -8   8.092  -8.889  -8.889
    2   2H    GLY  -8           HT3      GLY  -8   9.111  -7.919  -7.919
    3   3H    GLY  -8           HT2      GLY  -8   7.442  -7.962  -7.962
    4   1HA   GLY  -8           HA1      GLY  -8   7.104  -6.561  -6.561
    5   2HA   GLY  -8           HA2      GLY  -8   8.673  -5.902  -5.902
    6    H    SER  -7            HN      SER  -7   9.081  -5.645  -5.645
    7    HA   SER  -7            HA      SER  -7   9.000  -5.843  -5.843
    8   1HB   SER  -7           HB2      SER  -7   9.706  -8.198  -8.198
    9   2HB   SER  -7           HB1      SER  -7   8.008  -8.659  -8.659
   10    HG   SER  -7            HG      SER  -7   9.476  -7.429  -7.429
   11    H    ARG  -6            HN      ARG  -6   7.296  -4.402  -4.402
   12    HA   ARG  -6            HA      ARG  -6   4.674  -5.698  -5.698
   13   1HB   ARG  -6           HB2      ARG  -6   5.058  -3.069  -3.069
   14   2HB   ARG  -6           HB1      ARG  -6   3.507  -3.715  -3.715
   15   1HG   ARG  -6           HG2      ARG  -6   3.659  -5.580  -5.580
   16   2HG   ARG  -6           HG1      ARG  -6   5.361  -5.263  -5.263
   17   1HD   ARG  -6           HD2      ARG  -6   3.015  -3.516  -3.516
   18   2HD   ARG  -6           HD1      ARG  -6   4.021  -4.479  -4.479
   19    HE   ARG  -6            HE      ARG  -6   4.904  -2.013  -2.013
   20   1HH1  ARG  -6          HH21      ARG  -6   6.624  -4.589  -4.589
   21   2HH1  ARG  -6          HH22      ARG  -6   7.446  -3.852  -3.852
   22   1HH2  ARG  -6          HH11      ARG  -6   5.428  -1.032  -1.032
   23   2HH2  ARG  -6          HH12      ARG  -6   6.769  -1.838  -1.838
   24    H    ARG  -5            HN      ARG  -5   6.137  -2.430  -2.430
   25    HA   ARG  -5            HA      ARG  -5   6.343  -0.956  -0.956
   26   1HB   ARG  -5           HB2      ARG  -5   7.072  -3.552  -3.552
   27   2HB   ARG  -5           HB1      ARG  -5   6.119  -2.781  -2.781
   28   1HG   ARG  -5           HG2      ARG  -5   8.360  -2.100  -2.100
   29   2HG   ARG  -5           HG1      ARG  -5   7.603  -0.714  -0.714
   30   1HD   ARG  -5           HD2      ARG  -5   9.459  -0.836  -0.836
   31   2HD   ARG  -5           HD1      ARG  -5   8.486  -2.037  -2.037
   32    HE   ARG  -5            HE      ARG  -5   9.964  -3.700  -3.700
   33   1HH1  ARG  -5          HH11      ARG  -5  10.133  -3.914  -3.914
   34   2HH1  ARG  -5          HH12      ARG  -5  11.556  -3.074  -3.074
   35   1HH2  ARG  -5          HH21      ARG  -5  11.867  -1.253  -1.253
   36   2HH2  ARG  -5          HH22      ARG  -5  12.539  -1.566  -1.566
   37    H    ALA  -4            HN      ALA  -4   4.198  -0.113  -0.113
   38    HA   ALA  -4            HA      ALA  -4   2.394  -0.287  -0.287
   39   1HB   ALA  -4           HB1      ALA  -4   1.816  -1.826  -1.826
   40   2HB   ALA  -4           HB3      ALA  -4   0.472  -0.968  -0.968
   41   3HB   ALA  -4           HB2      ALA  -4   1.367  -2.181  -2.181
   42    H    SER  -3            HN      SER  -3   0.211   0.933   0.933
   43    HA   SER  -3            HA      SER  -3   1.151   3.432   3.432
   44   1HB   SER  -3           HB2      SER  -3  -0.317   3.100   3.100
   45   2HB   SER  -3           HB1      SER  -3  -1.627   3.179   3.179
   46    HG   SER  -3            HG      SER  -3  -1.032   5.250   5.250
   47    H    VAL  -2            HN      VAL  -2  -1.929   1.600   1.600
   48    HA   VAL  -2            HA      VAL  -2  -1.900   1.986   1.986
   49    HB   VAL  -2            HB      VAL  -2  -4.405   2.193   2.193
   50   1HG1  VAL  -2          HG11      VAL  -2  -2.592   4.128   4.128
   51   2HG1  VAL  -2          HG13      VAL  -2  -3.242   4.347   4.347
   52   3HG1  VAL  -2          HG12      VAL  -2  -4.304   4.488   4.488
   53   1HG2  VAL  -2          HG22      VAL  -2  -4.168   1.179   1.179
   54   2HG2  VAL  -2          HG21      VAL  -2  -5.519   2.210   2.210
   55   3HG2  VAL  -2          HG23      VAL  -2  -4.149   2.896   2.896
   56    H    GLY  -1            HN      GLY  -1  -2.690   0.213   0.213
   57   1HA   GLY  -1           HA2      GLY  -1  -4.193  -1.963  -1.963
   58   2HA   GLY  -1           HA1      GLY  -1  -2.553  -2.369  -2.369
   59    H    SER   0            HN      SER   0  -4.152  -0.993  -0.993
   60    HA   SER   0            HA      SER   0  -2.175  -2.318  -2.318
   61   1HB   SER   0           HB2      SER   0  -3.928  -1.328  -1.328
   62   2HB   SER   0           HB1      SER   0  -2.725  -0.297  -0.297
   63    HG   SER   0            HG      SER   0  -5.424  -0.715  -0.715
   64    H    MET   1            HN      MET   1  -3.173  -3.520  -3.520
   65    HA   MET   1            HA      MET   1  -5.348  -5.319  -5.319
   66   1HB   MET   1           HB2      MET   1  -2.803  -5.885  -5.885
   67   2HB   MET   1           HB1      MET   1  -4.220  -6.868  -6.868
   68   1HG   MET   1           HG2      MET   1  -4.400  -7.718  -7.718
   69   2HG   MET   1           HG1      MET   1  -3.492  -6.387  -6.387
   70   1HE   MET   1           HE3      MET   1  -3.509  -9.249  -9.249
   71   2HE   MET   1           HE2      MET   1  -1.860  -9.861  -9.861
   72   3HE   MET   1           HE1      MET   1  -2.866 -10.262 -10.262
   73    H    GLU   2            HN      GLU   2  -6.251  -6.538  -6.538
   74    HA   GLU   2            HA      GLU   2  -6.760  -4.394  -4.394
   75   1HB   GLU   2           HB2      GLU   2  -8.596  -5.620  -5.620
   76   2HB   GLU   2           HB1      GLU   2  -8.876  -6.359  -6.359
   77   1HG   GLU   2           HG2      GLU   2  -9.305  -4.252  -4.252
   78   2HG   GLU   2           HG1      GLU   2  -8.655  -3.368  -3.368
   79    H    ALA   3            HN      ALA   3  -7.700  -5.575  -5.575
   80    HA   ALA   3            HA      ALA   3  -6.715  -8.266  -8.266
   81   1HB   ALA   3           HB2      ALA   3  -4.997  -6.152  -6.152
   82   2HB   ALA   3           HB1      ALA   3  -5.546  -6.624  -6.624
   83   3HB   ALA   3           HB3      ALA   3  -4.801  -7.815  -7.815
   84    H    ILE   4            HN      ILE   4  -8.294  -9.153  -9.153
   85    HA   ILE   4            HA      ILE   4 -10.372  -7.823  -7.823
   86    HB   ILE   4            HB      ILE   4 -10.636 -10.036 -10.036
   87   1HG1  ILE   4          HG12      ILE   4 -10.933 -10.782 -10.782
   88   2HG1  ILE   4          HG11      ILE   4 -11.559  -9.170  -9.170
   89   1HG2  ILE   4          HG22      ILE   4  -8.180 -10.596 -10.596
   90   2HG2  ILE   4          HG21      ILE   4  -9.094 -11.292 -11.292
   91   3HG2  ILE   4          HG23      ILE   4  -9.378 -11.853 -11.853
   92   1HD1  ILE   4          HD11      ILE   4 -12.196 -11.499 -11.499
   93   2HD1  ILE   4          HD13      ILE   4 -13.134 -11.168 -11.168
   94   3HD1  ILE   4          HD12      ILE   4 -13.049  -9.965  -9.965
   95    H    ALA   5            HN      ALA   5 -10.385  -6.849  -6.849
   96    HA   ALA   5            HA      ALA   5  -8.245  -7.203  -7.203
   97   1HB   ALA   5           HB3      ALA   5 -10.836  -5.633  -5.633
   98   2HB   ALA   5           HB2      ALA   5  -9.891  -5.804  -5.804
   99   3HB   ALA   5           HB1      ALA   5  -9.183  -5.018  -5.018
  100    H    LYS   6            HN      LYS   6  -8.319  -9.304  -9.304
  101    HA   LYS   6            HA      LYS   6 -10.595 -10.906 -10.906
  102   1HB   LYS   6           HB2      LYS   6  -7.951 -10.945 -10.945
  103   2HB   LYS   6           HB1      LYS   6  -9.131 -12.256 -12.256
  104   1HG   LYS   6           HG2      LYS   6  -8.776 -12.706 -12.706
  105   2HG   LYS   6           HG1      LYS   6  -8.060 -11.124 -11.124
  106   1HD   LYS   6           HD2      LYS   6  -6.129 -12.366 -12.366
  107   2HD   LYS   6           HD1      LYS   6  -6.277 -12.027 -12.027
  108   1HE   LYS   6           HE2      LYS   6  -7.767 -14.403 -14.403
  109   2HE   LYS   6           HE1      LYS   6  -6.010 -14.536 -14.536
  110   1HZ   LYS   6           HZ3      LYS   6  -6.136 -13.634 -13.634
  111   2HZ   LYS   6           HZ2      LYS   6  -7.781 -14.059 -14.059
  112   3HZ   LYS   6           HZ1      LYS   6  -6.584 -15.248 -15.248
  113    H    TYR   7            HN      TYR   7  -9.178  -8.411  -8.411
  114    HA   TYR   7            HA      TYR   7 -11.522  -8.625  -8.625
  115   1HB   TYR   7           HB2      TYR   7  -8.769  -8.392  -8.392
  116   2HB   TYR   7           HB1      TYR   7 -10.284  -8.782  -8.782
  117    HD1  TYR   7           HD2      TYR   7  -7.870 -10.051 -10.051
  118    HD2  TYR   7           HD1      TYR   7 -10.913 -11.027 -11.027
  119    HE1  TYR   7           HE2      TYR   7  -7.354 -12.443 -12.443
  120    HE2  TYR   7           HE1      TYR   7 -10.414 -13.444 -13.444
  121    HH   TYR   7            HH      TYR   7  -8.318 -14.807 -14.807
  122    H    ASP   8            HN      ASP   8 -11.001  -6.831  -6.831
  123    HA   ASP   8            HA      ASP   8 -10.818  -4.371  -4.371
  124   1HB   ASP   8           HB2      ASP   8 -11.829  -3.326  -3.326
  125   2HB   ASP   8           HB1      ASP   8 -12.682  -4.838  -4.838
  126    H    PHE   9            HN      PHE   9  -9.552  -2.556  -2.556
  127    HA   PHE   9            HA      PHE   9  -7.447  -2.871  -2.871
  128   1HB   PHE   9           HB2      PHE   9  -6.543  -4.401  -4.401
  129   2HB   PHE   9           HB1      PHE   9  -6.760  -3.185  -3.185
  130    HD1  PHE   9           HD2      PHE   9  -5.460  -1.109  -1.109
  131    HD2  PHE   9           HD1      PHE   9  -4.669  -4.354  -4.354
  132    HE1  PHE   9           HE2      PHE   9  -3.201  -0.167  -0.167
  133    HE2  PHE   9           HE1      PHE   9  -2.417  -3.430  -3.430
  134    HZ   PHE   9            HZ      PHE   9  -1.681  -1.330  -1.330
  135    H    LYS  10            HN      LYS  10  -6.201  -0.767  -0.767
  136    HA   LYS  10            HA      LYS  10  -7.412   1.364   1.364
  137   1HB   LYS  10           HB2      LYS  10  -7.369   1.122   1.122
  138   2HB   LYS  10           HB1      LYS  10  -6.721   2.663   2.663
  139   1HG   LYS  10           HG2      LYS  10  -8.822   2.741   2.741
  140   2HG   LYS  10           HG1      LYS  10  -9.467   1.504   1.504
  141   1HD   LYS  10           HD2      LYS  10 -10.210   3.518   3.518
  142   2HD   LYS  10           HD1      LYS  10  -8.773   3.110   3.110
  143   1HE   LYS  10           HE2      LYS  10  -7.438   4.706   4.706
  144   2HE   LYS  10           HE1      LYS  10  -8.616   4.881   4.881
  145   1HZ   LYS  10           HZ1      LYS  10  -9.044   5.686   5.686
  146   2HZ   LYS  10           HZ3      LYS  10  -8.696   6.743   6.743
  147   3HZ   LYS  10           HZ2      LYS  10 -10.157   5.876   5.876
  148    H    ALA  11            HN      ALA  11  -6.130   3.031   3.031
  149    HA   ALA  11            HA      ALA  11  -3.449   2.464   2.464
  150   1HB   ALA  11           HB3      ALA  11  -4.893   4.231   4.231
  151   2HB   ALA  11           HB2      ALA  11  -4.516   5.265   5.265
  152   3HB   ALA  11           HB1      ALA  11  -3.221   4.695   4.695
  153    H    THR  12            HN      THR  12  -1.588   2.658   2.658
  154    HA   THR  12            HA      THR  12  -1.874   4.021   4.021
  155    HB   THR  12            HB      THR  12  -0.109   2.503   2.503
  156    HG1  THR  12           HG1      THR  12   1.116   1.665   1.665
  157   1HG2  THR  12          HG21      THR  12  -2.597   1.867   1.867
  158   2HG2  THR  12          HG23      THR  12  -2.161   0.842   0.842
  159   3HG2  THR  12          HG22      THR  12  -1.444   0.550   0.550
  160    H    ALA  13            HN      ALA  13   0.584   3.272   3.272
  161    HA   ALA  13            HA      ALA  13   2.454   5.272   5.272
  162   1HB   ALA  13           HB2      ALA  13   2.106   3.713   3.713
  163   2HB   ALA  13           HB1      ALA  13   3.296   5.013   5.013
  164   3HB   ALA  13           HB3      ALA  13   3.411   3.619   3.619
  165    H    ASP  14            HN      ASP  14   3.134   6.992   6.992
  166    HA   ASP  14            HA      ASP  14   0.935   8.834   8.834
  167   1HB   ASP  14           HB2      ASP  14   3.457   9.161   9.161
  168   2HB   ASP  14           HB1      ASP  14   3.599   9.229   9.229
  169    H    ASP  15            HN      ASP  15   1.902   6.334   6.334
  170    HA   ASP  15            HA      ASP  15   0.495   7.522   7.522
  171   1HB   ASP  15           HB2      ASP  15   3.278   6.511   6.511
  172   2HB   ASP  15           HB1      ASP  15   2.298   6.105   6.105
  173    H    GLU  16            HN      GLU  16  -0.316   5.626   5.626
  174    HA   GLU  16            HA      GLU  16  -0.391   3.039   3.039
  175   1HB   GLU  16           HB2      GLU  16   0.091   3.342   3.342
  176   2HB   GLU  16           HB1      GLU  16  -1.652   3.555   3.555
  177   1HG   GLU  16           HG2      GLU  16  -2.113   1.384   1.384
  178   2HG   GLU  16           HG1      GLU  16  -0.678   1.241   1.241
  179    H    LEU  17            HN      LEU  17  -2.662   1.924   1.924
  180    HA   LEU  17            HA      LEU  17  -4.714   3.915   3.915
  181   1HB   LEU  17           HB2      LEU  17  -3.640   1.910   1.910
  182   2HB   LEU  17           HB1      LEU  17  -5.113   1.156   1.156
  183    HG   LEU  17            HG      LEU  17  -5.091   3.918   3.918
  184   1HD1  LEU  17          HD12      LEU  17  -4.919   1.253   1.253
  185   2HD1  LEU  17          HD11      LEU  17  -6.247   2.260   2.260
  186   3HD1  LEU  17          HD13      LEU  17  -4.594   2.854   2.854
  187   1HD2  LEU  17          HD21      LEU  17  -7.118   2.037   2.037
  188   2HD2  LEU  17          HD23      LEU  17  -7.169   3.796   3.796
  189   3HD2  LEU  17          HD22      LEU  17  -7.545   2.805   2.805
  190    H    SER  18            HN      SER  18  -6.833   3.657   3.657
  191    HA   SER  18            HA      SER  18  -7.200   1.768   1.768
  192   1HB   SER  18           HB2      SER  18  -8.957   4.022   4.022
  193   2HB   SER  18           HB1      SER  18  -8.569   3.307   3.307
  194    HG   SER  18            HG      SER  18  -7.240   5.233   5.233
  195    H    PHE  19            HN      PHE  19  -8.405   0.003   0.003
  196    HA   PHE  19            HA      PHE  19 -10.778   0.452   0.452
  197   1HB   PHE  19           HB2      PHE  19 -10.296  -1.639  -1.639
  198   2HB   PHE  19           HB1      PHE  19  -9.033  -0.438  -0.438
  199    HD1  PHE  19           HD1      PHE  19  -9.912  -3.612  -3.612
  200    HD2  PHE  19           HD2      PHE  19  -6.800  -0.751  -0.751
  201    HE1  PHE  19           HE1      PHE  19  -8.219  -5.232  -5.232
  202    HE2  PHE  19           HE2      PHE  19  -5.108  -2.372  -2.372
  203    HZ   PHE  19            HZ      PHE  19  -5.818  -4.613  -4.613
  204    H    LYS  20            HN      LYS  20 -12.191  -1.640  -1.640
  205    HA   LYS  20            HA      LYS  20 -12.185  -2.665  -2.665
  206   1HB   LYS  20           HB2      LYS  20 -14.550  -2.250  -2.250
  207   2HB   LYS  20           HB1      LYS  20 -14.613  -2.750  -2.750
  208   1HG   LYS  20           HG2      LYS  20 -13.154  -0.236  -0.236
  209   2HG   LYS  20           HG1      LYS  20 -14.907  -0.197  -0.197
  210   1HD   LYS  20           HD2      LYS  20 -14.675  -1.504  -1.504
  211   2HD   LYS  20           HD1      LYS  20 -13.215  -0.517  -0.517
  212   1HE   LYS  20           HE2      LYS  20 -15.836   0.736   0.736
  213   2HE   LYS  20           HE1      LYS  20 -15.456   0.474   0.474
  214   1HZ   LYS  20           HZ1      LYS  20 -13.630   1.862   1.862
  215   2HZ   LYS  20           HZ3      LYS  20 -14.769   2.677   2.677
  216   3HZ   LYS  20           HZ2      LYS  20 -13.521   1.792   1.792
  217    H    ARG  21            HN      ARG  21 -13.721  -4.703  -4.703
  218    HA   ARG  21            HA      ARG  21 -12.422  -6.745  -6.745
  219   1HB   ARG  21           HB2      ARG  21 -13.332  -7.047  -7.047
  220   2HB   ARG  21           HB1      ARG  21 -14.960  -6.882  -6.882
  221   1HG   ARG  21           HG2      ARG  21 -14.850  -8.914  -8.914
  222   2HG   ARG  21           HG1      ARG  21 -13.082  -8.904  -8.904
  223   1HD   ARG  21           HD2      ARG  21 -12.876  -9.698  -9.698
  224   2HD   ARG  21           HD1      ARG  21 -14.349  -8.899  -8.899
  225    HE   ARG  21            HE      ARG  21 -15.637 -10.737 -10.737
  226   1HH1  ARG  21          HH11      ARG  21 -13.692 -11.723 -11.723
  227   2HH1  ARG  21          HH12      ARG  21 -13.062 -13.152 -13.152
  228   1HH2  ARG  21          HH21      ARG  21 -14.187 -12.306 -12.306
  229   2HH2  ARG  21          HH22      ARG  21 -13.343 -13.482 -13.482
  230    H    GLY  22            HN      GLY  22 -12.838  -6.787  -6.787
  231   1HA   GLY  22           HA2      GLY  22 -14.440  -7.672  -7.672
  232   2HA   GLY  22           HA1      GLY  22 -15.703  -6.758  -6.758
  233    H    ASP  23            HN      ASP  23 -12.952  -4.841  -4.841
  234    HA   ASP  23            HA      ASP  23 -13.947  -3.334  -3.334
  235   1HB   ASP  23           HB2      ASP  23 -13.093  -2.593  -2.593
  236   2HB   ASP  23           HB1      ASP  23 -11.794  -2.094  -2.094
  237    H    ILE  24            HN      ILE  24 -13.009  -4.353  -4.353
  238    HA   ILE  24            HA      ILE  24 -10.280  -5.278  -5.278
  239    HB   ILE  24            HB      ILE  24 -11.809  -4.620  -4.620
  240   1HG1  ILE  24          HG12      ILE  24 -12.263  -6.880  -6.880
  241   2HG1  ILE  24          HG11      ILE  24 -13.468  -5.820  -5.820
  242   1HG2  ILE  24          HG23      ILE  24  -9.325  -5.545  -5.545
  243   2HG2  ILE  24          HG22      ILE  24 -10.174  -7.079  -7.079
  244   3HG2  ILE  24          HG21      ILE  24 -10.328  -6.116  -6.116
  245   1HD1  ILE  24          HD12      ILE  24 -12.472  -6.958  -6.958
  246   2HD1  ILE  24          HD11      ILE  24 -12.197  -8.267  -8.267
  247   3HD1  ILE  24          HD13      ILE  24 -13.825  -7.640  -7.640
  248    H    LEU  25            HN      LEU  25  -8.456  -4.248  -4.248
  249    HA   LEU  25            HA      LEU  25  -8.627  -1.317  -1.317
  250   1HB   LEU  25           HB2      LEU  25  -6.135  -2.996  -2.996
  251   2HB   LEU  25           HB1      LEU  25  -6.297  -1.259  -1.259
  252    HG   LEU  25            HG      LEU  25  -6.350  -2.120  -2.120
  253   1HD1  LEU  25          HD13      LEU  25  -9.233  -1.846  -1.846
  254   2HD1  LEU  25          HD12      LEU  25  -8.689  -1.836  -1.836
  255   3HD1  LEU  25          HD11      LEU  25  -8.176  -0.558  -0.558
  256   1HD2  LEU  25          HD22      LEU  25  -6.944  -4.516  -4.516
  257   2HD2  LEU  25          HD21      LEU  25  -7.120  -4.177  -4.177
  258   3HD2  LEU  25          HD23      LEU  25  -8.528  -4.103  -4.103
  259    H    LYS  26            HN      LYS  26  -7.110  -0.260  -0.260
  260    HA   LYS  26            HA      LYS  26  -6.937  -1.899  -1.899
  261   1HB   LYS  26           HB2      LYS  26  -6.974   1.117   1.117
  262   2HB   LYS  26           HB1      LYS  26  -6.848   0.300   0.300
  263   1HG   LYS  26           HG2      LYS  26  -9.044  -0.946  -0.946
  264   2HG   LYS  26           HG1      LYS  26  -9.208   0.686   0.686
  265   1HD   LYS  26           HD2      LYS  26  -8.715   0.110   0.110
  266   2HD   LYS  26           HD1      LYS  26 -10.325   0.325   0.325
  267   1HE   LYS  26           HE2      LYS  26  -9.186   2.526   2.526
  268   2HE   LYS  26           HE1      LYS  26  -8.157   2.334   2.334
  269   1HZ   LYS  26           HZ2      LYS  26 -10.336   2.049   2.049
  270   2HZ   LYS  26           HZ1      LYS  26 -11.084   2.714   2.714
  271   3HZ   LYS  26           HZ3      LYS  26  -9.930   3.616   3.616
  272    H    VAL  27            HN      VAL  27  -4.898  -2.870  -2.870
  273    HA   VAL  27            HA      VAL  27  -2.618  -1.639  -1.639
  274    HB   VAL  27            HB      VAL  27  -2.619  -3.755  -3.755
  275   1HG1  VAL  27          HG13      VAL  27  -0.474  -2.414  -2.414
  276   2HG1  VAL  27          HG12      VAL  27  -0.620  -3.688  -3.688
  277   3HG1  VAL  27          HG11      VAL  27  -0.404  -4.108  -4.108
  278   1HG2  VAL  27          HG22      VAL  27  -2.953  -3.902  -3.902
  279   2HG2  VAL  27          HG21      VAL  27  -4.045  -4.530  -4.530
  280   3HG2  VAL  27          HG23      VAL  27  -2.476  -5.294  -5.294
  281    H    LEU  28            HN      LEU  28  -1.741   0.207   0.207
  282    HA   LEU  28            HA      LEU  28  -1.702   0.952   0.952
  283   1HB   LEU  28           HB2      LEU  28  -0.336   2.572   2.572
  284   2HB   LEU  28           HB1      LEU  28  -1.130   3.124   3.124
  285    HG   LEU  28            HG      LEU  28  -3.075   1.837   1.837
  286   1HD1  LEU  28          HD12      LEU  28  -1.337   3.973   3.973
  287   2HD1  LEU  28          HD11      LEU  28  -2.962   3.609   3.609
  288   3HD1  LEU  28          HD13      LEU  28  -1.707   2.374   2.374
  289   1HD2  LEU  28          HD23      LEU  28  -2.613   4.455   4.455
  290   2HD2  LEU  28          HD22      LEU  28  -3.995   3.366   3.366
  291   3HD2  LEU  28          HD21      LEU  28  -3.807   4.419   4.419
  292    H    ASN  29            HN      ASN  29   0.397  -0.085  -0.085
  293    HA   ASN  29            HA      ASN  29   2.484  -0.809  -0.809
  294   1HB   ASN  29           HB2      ASN  29   2.573   1.803   1.803
  295   2HB   ASN  29           HB1      ASN  29   3.658   0.983   0.983
  296   1HD2  ASN  29          HD22      ASN  29   4.766   1.457   1.457
  297   2HD2  ASN  29          HD21      ASN  29   3.229   1.944   1.944
  298    H    GLU  30            HN      GLU  30   4.585  -1.396  -1.396
  299    HA   GLU  30            HA      GLU  30   3.635  -2.764  -2.764
  300   1HB   GLU  30           HB2      GLU  30   5.396  -3.876  -3.876
  301   2HB   GLU  30           HB1      GLU  30   5.218  -4.639  -4.639
  302   1HG   GLU  30           HG2      GLU  30   3.541  -5.755  -5.755
  303   2HG   GLU  30           HG1      GLU  30   2.621  -4.345  -4.345
  304    H    GLU  31            HN      GLU  31   4.672  -0.438  -0.438
  305    HA   GLU  31            HA      GLU  31   7.617  -0.589  -0.589
  306   1HB   GLU  31           HB2      GLU  31   5.561   1.571   1.571
  307   2HB   GLU  31           HB1      GLU  31   7.219   1.740   1.740
  308   1HG   GLU  31           HG2      GLU  31   6.859   0.881   0.881
  309   2HG   GLU  31           HG1      GLU  31   6.474   2.559   2.559
  310    H    CYS  32            HN      CYS  32   8.309   0.428   0.428
  311    HA   CYS  32            HA      CYS  32   8.466   0.059   0.059
  312   1HB   CYS  32           HB2      CYS  32   5.782   0.519   0.519
  313   2HB   CYS  32           HB1      CYS  32   5.755  -1.074  -1.074
  314    HG   CYS  32            HG      CYS  32   7.550   0.766   0.766
  315    H    ASP  33            HN      ASP  33   7.511  -1.917  -1.917
  316    HA   ASP  33            HA      ASP  33   9.115  -4.086  -4.086
  317   1HB   ASP  33           HB2      ASP  33   7.342  -3.449  -3.449
  318   2HB   ASP  33           HB1      ASP  33   6.400  -4.667  -4.667
  319    H    GLN  34            HN      GLN  34   8.623  -6.365  -6.365
  320    HA   GLN  34            HA      GLN  34   7.224  -6.450  -6.450
  321   1HB   GLN  34           HB2      GLN  34   9.026  -8.415  -8.415
  322   2HB   GLN  34           HB1      GLN  34   8.187  -8.806  -8.806
  323   1HG   GLN  34           HG2      GLN  34   9.232  -6.657  -6.657
  324   2HG   GLN  34           HG1      GLN  34  10.288  -6.685  -6.685
  325   1HE2  GLN  34          HE22      GLN  34  11.776  -8.657  -8.657
  326   2HE2  GLN  34          HE21      GLN  34  11.090  -7.107  -7.107
  327    H    ASN  35            HN      ASN  35   5.961  -6.445  -6.445
  328    HA   ASN  35            HA      ASN  35   4.226  -8.803  -8.803
  329   1HB   ASN  35           HB2      ASN  35   5.057  -7.490  -7.490
  330   2HB   ASN  35           HB1      ASN  35   3.780  -8.709  -8.709
  331   1HD2  ASN  35          HD22      ASN  35   6.040 -11.411 -11.411
  332   2HD2  ASN  35          HD21      ASN  35   4.424 -10.902 -10.902
  333    H    TRP  36            HN      TRP  36   4.333  -5.404  -5.404
  334    HA   TRP  36            HA      TRP  36   1.338  -5.366  -5.366
  335   1HB   TRP  36           HB2      TRP  36   3.185  -3.014  -3.014
  336   2HB   TRP  36           HB1      TRP  36   1.434  -3.063  -3.063
  337    HD1  TRP  36           HD1      TRP  36   4.294  -5.452  -5.452
  338    HE1  TRP  36           HE1      TRP  36   4.038  -5.769  -5.769
  339    HE3  TRP  36           HE3      TRP  36   0.208  -2.434  -2.434
  340    HZ2  TRP  36           HZ2      TRP  36   2.431  -4.878  -4.878
  341    HZ3  TRP  36           HZ3      TRP  36  -0.593  -2.185  -2.185
  342    HH2  TRP  36           HH2      TRP  36   0.496  -3.408  -3.408
  343    H    TYR  37            HN      TYR  37   0.248  -4.487  -4.487
  344    HA   TYR  37            HA      TYR  37   1.839  -3.809  -3.809
  345   1HB   TYR  37           HB2      TYR  37  -1.136  -4.250  -4.250
  346   2HB   TYR  37           HB1      TYR  37  -0.350  -3.921  -3.921
  347    HD1  TYR  37           HD2      TYR  37   2.081  -5.615  -5.615
  348    HD2  TYR  37           HD1      TYR  37  -1.959  -6.389  -6.389
  349    HE1  TYR  37           HE2      TYR  37   2.442  -8.051  -8.051
  350    HE2  TYR  37           HE1      TYR  37  -1.615  -8.811  -8.811
  351    HH   TYR  37            HH      TYR  37   0.097 -10.226 -10.226
  352    H    LYS  38            HN      LYS  38   1.568  -1.852  -1.852
  353    HA   LYS  38            HA      LYS  38   0.369   0.401   0.401
  354   1HB   LYS  38           HB2      LYS  38   2.554   0.669   0.669
  355   2HB   LYS  38           HB1      LYS  38   1.640   0.430   0.430
  356   1HG   LYS  38           HG2      LYS  38   0.096   2.310   2.310
  357   2HG   LYS  38           HG1      LYS  38   1.666   2.745   2.745
  358   1HD   LYS  38           HD2      LYS  38   2.108   2.212   2.212
  359   2HD   LYS  38           HD1      LYS  38   0.652   3.208   3.208
  360   1HE   LYS  38           HE2      LYS  38   2.019   4.654   4.654
  361   2HE   LYS  38           HE1      LYS  38   3.423   3.837   3.837
  362   1HZ   LYS  38           HZ3      LYS  38   1.404   5.061   5.061
  363   2HZ   LYS  38           HZ2      LYS  38   2.611   6.024   6.024
  364   3HZ   LYS  38           HZ1      LYS  38   3.037   4.735   4.735
  365    H    ALA  39            HN      ALA  39  -1.675   1.173   1.173
  366    HA   ALA  39            HA      ALA  39  -2.910   0.531   0.531
  367   1HB   ALA  39           HB2      ALA  39  -3.041  -1.598  -1.598
  368   2HB   ALA  39           HB1      ALA  39  -3.993  -0.744  -0.744
  369   3HB   ALA  39           HB3      ALA  39  -4.622  -0.926  -0.926
  370    H    GLU  40            HN      GLU  40  -5.457   0.827   0.827
  371    HA   GLU  40            HA      GLU  40  -5.856   3.102   3.102
  372   1HB   GLU  40           HB2      GLU  40  -5.205   4.616   4.616
  373   2HB   GLU  40           HB1      GLU  40  -4.872   3.393   3.393
  374   1HG   GLU  40           HG2      GLU  40  -7.439   3.579   3.579
  375   2HG   GLU  40           HG1      GLU  40  -7.347   5.087   5.087
  376    H    LEU  41            HN      LEU  41  -7.804   3.431   3.431
  377    HA   LEU  41            HA      LEU  41  -9.952   1.775   1.775
  378   1HB   LEU  41           HB2      LEU  41  -9.571   2.946   2.946
  379   2HB   LEU  41           HB1      LEU  41 -11.232   2.780   2.780
  380    HG   LEU  41            HG      LEU  41  -9.290   0.537   0.537
  381   1HD1  LEU  41          HD13      LEU  41 -10.896   1.367   1.367
  382   2HD1  LEU  41          HD12      LEU  41 -10.424  -0.311  -0.311
  383   3HD1  LEU  41          HD11      LEU  41  -9.189   0.934   0.934
  384   1HD2  LEU  41          HD23      LEU  41 -11.441   0.561   0.561
  385   2HD2  LEU  41          HD22      LEU  41 -11.369  -0.755  -0.755
  386   3HD2  LEU  41          HD21      LEU  41 -12.298   0.699   0.699
  387    H    ASN  42            HN      ASN  42 -10.522   2.749   2.749
  388    HA   ASN  42            HA      ASN  42 -11.475   4.391   4.391
  389   1HB   ASN  42           HB2      ASN  42 -13.091   3.988   3.988
  390   2HB   ASN  42           HB1      ASN  42 -13.569   5.302   5.302
  391   1HD2  ASN  42          HD22      ASN  42 -14.769   1.690   1.690
  392   2HD2  ASN  42          HD21      ASN  42 -14.441   2.242   2.242
  393    H    GLY  43            HN      GLY  43  -9.404   5.628   5.628
  394   1HA   GLY  43           HA2      GLY  43  -9.337   8.248   8.248
  395   2HA   GLY  43           HA1      GLY  43 -10.549   8.280   8.280
  396    H    LYS  44            HN      LYS  44  -9.452   6.377   6.377
  397    HA   LYS  44            HA      LYS  44  -7.277   7.882   7.882
  398   1HB   LYS  44           HB2      LYS  44  -8.982   5.606   5.606
  399   2HB   LYS  44           HB1      LYS  44  -7.378   5.809   5.809
  400   1HG   LYS  44           HG2      LYS  44  -8.972   7.039   7.039
  401   2HG   LYS  44           HG1      LYS  44  -7.918   8.171   8.171
  402   1HD   LYS  44           HD2      LYS  44 -10.280   8.901   8.901
  403   2HD   LYS  44           HD1      LYS  44  -9.658   8.492   8.492
  404   1HE   LYS  44           HE2      LYS  44 -10.761   6.356   6.356
  405   2HE   LYS  44           HE1      LYS  44 -11.197   6.538   6.538
  406   1HZ   LYS  44           HZ1      LYS  44 -12.150   8.271   8.271
  407   2HZ   LYS  44           HZ3      LYS  44 -13.055   7.045   7.045
  408   3HZ   LYS  44           HZ2      LYS  44 -12.587   8.414   8.414
  409    H    ASP  45            HN      ASP  45  -5.348   6.747   6.747
  410    HA   ASP  45            HA      ASP  45  -4.713   4.475   4.475
  411   1HB   ASP  45           HB2      ASP  45  -2.968   6.893   6.893
  412   2HB   ASP  45           HB1      ASP  45  -2.941   5.518   5.518
  413    H    GLY  46            HN      GLY  46  -2.235   3.923   3.923
  414   1HA   GLY  46           HA2      GLY  46  -0.409   4.366   4.366
  415   2HA   GLY  46           HA1      GLY  46  -1.678   4.313   4.313
  416    H    PHE  47            HN      PHE  47   0.477   2.707   2.707
  417    HA   PHE  47            HA      PHE  47   0.330   0.113   0.113
  418   1HB   PHE  47           HB2      PHE  47   1.484   0.944   0.944
  419   2HB   PHE  47           HB1      PHE  47   1.855  -0.546  -0.546
  420    HD1  PHE  47           HD2      PHE  47   2.411  -0.021  -0.021
  421    HD2  PHE  47           HD1      PHE  47   3.093   2.604   2.604
  422    HE1  PHE  47           HE2      PHE  47   4.152   1.175   1.175
  423    HE2  PHE  47           HE1      PHE  47   4.835   3.801   3.801
  424    HZ   PHE  47            HZ      PHE  47   5.365   3.086   3.086
  425    H    ILE  48            HN      ILE  48  -0.181  -1.929  -1.929
  426    HA   ILE  48            HA      ILE  48  -2.004  -1.694  -1.694
  427    HB   ILE  48            HB      ILE  48  -3.759  -3.090  -3.090
  428   1HG1  ILE  48          HG12      ILE  48  -2.255  -2.194  -2.194
  429   2HG1  ILE  48          HG11      ILE  48  -2.228  -3.839  -3.839
  430   1HG2  ILE  48          HG21      ILE  48  -3.667  -0.473  -0.473
  431   2HG2  ILE  48          HG23      ILE  48  -3.420  -0.500  -0.500
  432   3HG2  ILE  48          HG22      ILE  48  -4.881  -1.201  -1.201
  433   1HD1  ILE  48          HD11      ILE  48  -4.893  -3.455  -3.455
  434   2HD1  ILE  48          HD13      ILE  48  -4.406  -2.372  -2.372
  435   3HD1  ILE  48          HD12      ILE  48  -3.978  -4.082  -4.082
  436    HA   PRO  49            HA      PRO  49   0.285  -5.406  -5.406
  437   1HB   PRO  49           HB2      PRO  49  -1.255  -6.538  -6.538
  438   2HB   PRO  49           HB1      PRO  49  -0.068  -5.243  -5.243
  439   1HG   PRO  49           HG2      PRO  49  -3.068  -5.067  -5.067
  440   2HG   PRO  49           HG1      PRO  49  -1.923  -4.048  -4.048
  441   1HD   PRO  49           HD2      PRO  49  -3.132  -3.312  -3.312
  442   2HD   PRO  49           HD1      PRO  49  -1.695  -2.572  -2.572
  443    H    LYS  50            HN      LYS  50   0.220  -6.893  -6.893
  444    HA   LYS  50            HA      LYS  50  -1.993  -7.910  -7.910
  445   1HB   LYS  50           HB2      LYS  50   0.344  -8.022  -8.022
  446   2HB   LYS  50           HB1      LYS  50   0.669  -9.196  -9.196
  447   1HG   LYS  50           HG2      LYS  50  -1.028 -10.698 -10.698
  448   2HG   LYS  50           HG1      LYS  50  -1.113  -9.545  -9.545
  449   1HD   LYS  50           HD2      LYS  50   1.179  -9.851  -9.851
  450   2HD   LYS  50           HD1      LYS  50   1.527 -10.631 -10.631
  451   1HE   LYS  50           HE2      LYS  50  -0.534 -11.935 -11.935
  452   2HE   LYS  50           HE1      LYS  50   1.132 -12.024 -12.024
  453   1HZ   LYS  50           HZ3      LYS  50   0.406 -12.689 -12.689
  454   2HZ   LYS  50           HZ2      LYS  50   0.338 -13.849 -13.849
  455   3HZ   LYS  50           HZ1      LYS  50   1.814 -13.102 -13.102
  456    H    ASN  51            HN      ASN  51  -0.987  -8.844  -8.844
  457    HA   ASN  51            HA      ASN  51  -1.929 -11.465 -11.465
  458   1HB   ASN  51           HB2      ASN  51  -1.205  -9.472  -9.472
  459   2HB   ASN  51           HB1      ASN  51  -2.163 -10.798 -10.798
  460   1HD2  ASN  51          HD22      ASN  51   1.404 -11.888 -11.888
  461   2HD2  ASN  51          HD21      ASN  51   0.422 -10.738 -10.738
  462    H    TYR  52            HN      TYR  52  -3.481  -8.432  -8.432
  463    HA   TYR  52            HA      TYR  52  -6.085  -9.645  -9.645
  464   1HB   TYR  52           HB2      TYR  52  -5.211  -6.755  -6.755
  465   2HB   TYR  52           HB1      TYR  52  -6.829  -7.254  -7.254
  466    HD1  TYR  52           HD1      TYR  52  -3.318  -7.984  -7.984
  467    HD2  TYR  52           HD2      TYR  52  -7.349  -7.014  -7.014
  468    HE1  TYR  52           HE1      TYR  52  -2.687  -7.878  -7.878
  469    HE2  TYR  52           HE2      TYR  52  -6.710  -6.907  -6.907
  470    HH   TYR  52            HH      TYR  52  -3.840  -6.494  -6.494
  471    H    ILE  53            HN      ILE  53  -4.585  -9.926  -9.926
  472    HA   ILE  53            HA      ILE  53  -6.716  -9.082  -9.082
  473    HB   ILE  53            HB      ILE  53  -4.116  -8.250  -8.250
  474   1HG1  ILE  53          HG12      ILE  53  -5.607  -6.441  -6.441
  475   2HG1  ILE  53          HG11      ILE  53  -4.182  -7.362  -7.362
  476   1HG2  ILE  53          HG22      ILE  53  -6.947  -7.368  -7.368
  477   2HG2  ILE  53          HG21      ILE  53  -5.661  -6.272  -6.272
  478   3HG2  ILE  53          HG23      ILE  53  -5.834  -7.818  -7.818
  479   1HD1  ILE  53          HD12      ILE  53  -3.976  -5.813  -5.813
  480   2HD1  ILE  53          HD11      ILE  53  -4.042  -4.882  -4.882
  481   3HD1  ILE  53          HD13      ILE  53  -2.773  -6.079  -6.079
  482    H    GLU  54            HN      GLU  54  -6.285  -9.656  -9.656
  483    HA   GLU  54            HA      GLU  54  -4.369 -11.724 -11.724
  484   1HB   GLU  54           HB2      GLU  54  -7.224 -12.206 -12.206
  485   2HB   GLU  54           HB1      GLU  54  -6.555 -12.742 -12.742
  486   1HG   GLU  54           HG2      GLU  54  -5.069 -14.246 -14.246
  487   2HG   GLU  54           HG1      GLU  54  -5.183 -13.435 -13.435
  488    H    MET  55            HN      MET  55  -4.017 -11.945 -11.945
  489    HA   MET  55            HA      MET  55  -4.595  -9.390  -9.390
  490   1HB   MET  55           HB2      MET  55  -2.272 -10.342 -10.342
  491   2HB   MET  55           HB1      MET  55  -2.807 -11.646 -11.646
  492   1HG   MET  55           HG2      MET  55  -3.669  -9.625  -9.625
  493   2HG   MET  55           HG1      MET  55  -2.416  -8.745  -8.745
  494   1HE   MET  55           HE2      MET  55  -0.179  -8.574  -8.574
  495   2HE   MET  55           HE1      MET  55   0.043  -9.952  -9.952
  496   3HE   MET  55           HE3      MET  55   0.845  -9.916  -9.916
  497    H    LYS  56            HN      LYS  56  -6.499  -9.362  -9.362
  498    HA   LYS  56            HA      LYS  56  -7.230 -11.722 -11.722
  499   1HB   LYS  56           HB2      LYS  56  -8.708  -9.484  -9.484
  500   2HB   LYS  56           HB1      LYS  56  -9.322 -10.185 -10.185
  501   1HG   LYS  56           HG2      LYS  56  -9.428 -12.374 -12.374
  502   2HG   LYS  56           HG1      LYS  56  -8.525 -11.834 -11.834
  503   1HD   LYS  56           HD2      LYS  56 -10.949 -12.015 -12.015
  504   2HD   LYS  56           HD1      LYS  56 -10.387 -10.352 -10.352
  505   1HE   LYS  56           HE2      LYS  56 -12.485 -10.347 -10.347
  506   2HE   LYS  56           HE1      LYS  56 -11.181  -9.941  -9.941
  507   1HZ   LYS  56           HZ1      LYS  56 -12.000 -12.748 -12.748
  508   2HZ   LYS  56           HZ3      LYS  56 -12.921 -11.722 -11.722
  509   3HZ   LYS  56           HZ2      LYS  56 -11.281 -11.990 -11.990
  510    HA   PRO  57            HA      PRO  57  -6.223  -9.739  -9.739
  511   1HB   PRO  57           HB2      PRO  57  -7.251 -11.542 -11.542
  512   2HB   PRO  57           HB1      PRO  57  -5.735 -11.792 -11.792
  513   1HG   PRO  57           HG2      PRO  57  -8.385 -13.010 -13.010
  514   2HG   PRO  57           HG1      PRO  57  -6.794 -13.604 -13.604
  515   1HD   PRO  57           HD2      PRO  57  -8.662 -12.357 -12.357
  516   2HD   PRO  57           HD1      PRO  57  -6.975 -12.777 -12.777
  517    H    HIS  58            HN      HIS  58  -7.486  -9.412  -9.412
  518    HA   HIS  58            HA      HIS  58 -10.292  -9.348  -9.348
  519   1HB   HIS  58           HB2      HIS  58 -10.835  -6.978  -6.978
  520   2HB   HIS  58           HB1      HIS  58 -10.156  -7.669  -7.669
  521    HD1  HIS  58           HD1      HIS  58  -9.189  -5.481  -5.481
  522    HD2  HIS  58           HD2      HIS  58  -7.808  -6.432  -6.432
  523    HE1  HIS  58           HE1      HIS  58  -7.295  -3.877  -3.877
  524    HA   PRO  59            HA      PRO  59  -8.626  -8.455  -8.455
  525   1HB   PRO  59           HB2      PRO  59 -10.956  -8.726  -8.726
  526   2HB   PRO  59           HB1      PRO  59  -9.989 -10.098 -10.098
  527   1HG   PRO  59           HG2      PRO  59 -12.586  -9.071  -9.071
  528   2HG   PRO  59           HG1      PRO  59 -11.907 -10.705 -10.705
  529   1HD   PRO  59           HD2      PRO  59 -11.919  -8.793  -8.793
  530   2HD   PRO  59           HD1      PRO  59 -10.980 -10.300 -10.300
  531    H    GLU  60            HN      GLU  60  -8.632  -6.680  -6.680
  532    HA   GLU  60            HA      GLU  60 -10.019  -4.268  -4.268
  533   1HB   GLU  60           HB2      GLU  60  -7.592  -4.198  -4.198
  534   2HB   GLU  60           HB1      GLU  60  -8.031  -4.557  -4.557
  535   1HG   GLU  60           HG2      GLU  60  -9.655  -2.362  -2.362
  536   2HG   GLU  60           HG1      GLU  60  -7.964  -2.006  -2.006
  537    H    PHE  61            HN      PHE  61 -12.185  -4.719  -4.719
  538    HA   PHE  61            HA      PHE  61 -12.592  -4.627  -4.627
  539   1HB   PHE  61           HB2      PHE  61 -13.819  -6.334  -6.334
  540   2HB   PHE  61           HB1      PHE  61 -14.934  -5.675  -5.675
  541    HD1  PHE  61           HD1      PHE  61 -11.492  -7.190  -7.190
  542    HD2  PHE  61           HD2      PHE  61 -15.284  -6.945  -6.945
  543    HE1  PHE  61           HE1      PHE  61 -10.728  -8.875  -8.875
  544    HE2  PHE  61           HE2      PHE  61 -14.520  -8.630  -8.630
  545    HZ   PHE  61            HZ      PHE  61 -12.242  -9.595  -9.595
  546    H    ILE  62            HN      ILE  62 -12.661  -2.300  -2.300
  547    HA   ILE  62            HA      ILE  62 -15.284  -1.297  -1.297
  548    HB   ILE  62            HB      ILE  62 -14.115   0.777   0.777
  549   1HG1  ILE  62          HG12      ILE  62 -11.530  -0.291  -0.291
  550   2HG1  ILE  62          HG11      ILE  62 -11.846  -0.599  -0.599
  551   1HG2  ILE  62          HG22      ILE  62 -13.332  -1.853  -1.853
  552   2HG2  ILE  62          HG21      ILE  62 -13.297  -0.281  -0.281
  553   3HG2  ILE  62          HG23      ILE  62 -14.833  -0.969  -0.969
  554   1HD1  ILE  62          HD12      ILE  62 -12.644   2.093   2.093
  555   2HD1  ILE  62          HD11      ILE  62 -10.911   1.779   1.779
  556   3HD1  ILE  62          HD13      ILE  62 -11.766   1.607   1.607
  557    H    VAL  63            HN      VAL  63 -16.155  -0.880  -0.880
  558    HA   VAL  63            HA      VAL  63 -14.550   0.844   0.844
  559    HB   VAL  63            HB      VAL  63 -16.858  -0.986  -0.986
  560   1HG1  VAL  63          HG13      VAL  63 -15.039   0.871   0.871
  561   2HG1  VAL  63          HG12      VAL  63 -15.507  -0.628  -0.628
  562   3HG1  VAL  63          HG11      VAL  63 -16.743   0.515   0.515
  563   1HG2  VAL  63          HG22      VAL  63 -13.860  -1.405  -1.405
  564   2HG2  VAL  63          HG21      VAL  63 -15.093  -2.435  -2.435
  565   3HG2  VAL  63          HG23      VAL  63 -14.948  -2.343  -2.343
  566    H    THR  64            HN      THR  64 -16.219   1.731   1.731
  567    HA   THR  64            HA      THR  64 -18.311   3.238   3.238
  568    HB   THR  64            HB      THR  64 -19.433   3.432   3.432
  569    HG1  THR  64           HG1      THR  64 -18.804   1.766   1.766
  570   1HG2  THR  64          HG22      THR  64 -19.980   1.796   1.796
  571   2HG2  THR  64          HG21      THR  64 -19.226   0.574   0.574
  572   3HG2  THR  64          HG23      THR  64 -20.646   1.450   1.450
  573    H    ASP  65            HN      ASP  65 -18.252   5.461   5.461
  574    HA   ASP  65            HA      ASP  65 -16.008   6.596   6.596
  575   1HB   ASP  65           HB2      ASP  65 -16.498   7.044   7.044
  576   2HB   ASP  65           HB1      ASP  65 -17.633   8.228   8.228
  577   1H    SER   1           HT1      SER   1  -9.438 -12.167 -12.167
  578   2H    SER   1           HT3      SER   1 -10.994 -11.724 -11.724
  579   3H    SER   1           HT2      SER   1 -10.667 -13.337 -13.337
  580    HA   SER   1            HA      SER   1 -10.624 -13.441 -13.441
  581   1HB   SER   1           HB2      SER   1  -9.437 -10.681 -10.681
  582   2HB   SER   1           HB1      SER   1  -9.296 -11.602 -11.602
  583    HG   SER   1            HG      SER   1 -11.177 -10.274 -10.274
  584    HA   PRO   2            HA      PRO   2  -6.611 -15.293 -15.293
  585   1HB   PRO   2           HB2      PRO   2  -6.264 -15.906 -15.906
  586   2HB   PRO   2           HB1      PRO   2  -7.349 -16.805 -16.805
  587   1HG   PRO   2           HG2      PRO   2  -8.035 -14.835 -14.835
  588   2HG   PRO   2           HG1      PRO   2  -9.001 -16.178 -16.178
  589   1HD   PRO   2           HD2      PRO   2  -9.328 -13.443 -13.443
  590   2HD   PRO   2           HD1      PRO   2 -10.043 -14.818 -14.818
  591    H    LEU   3            HN      LEU   3  -6.970 -13.151 -13.151
  592    HA   LEU   3            HA      LEU   3  -4.553 -11.660 -11.660
  593   1HB   LEU   3           HB2      LEU   3  -4.590 -13.628 -13.628
  594   2HB   LEU   3           HB1      LEU   3  -4.145 -12.026 -12.026
  595    HG   LEU   3            HG      LEU   3  -2.875 -13.291 -13.291
  596   1HD1  LEU   3          HD11      LEU   3  -2.505 -14.612 -14.612
  597   2HD1  LEU   3          HD13      LEU   3  -1.738 -13.176 -13.176
  598   3HD1  LEU   3          HD12      LEU   3  -1.034 -13.970 -13.970
  599   1HD2  LEU   3          HD22      LEU   3  -2.510 -10.798 -10.798
  600   2HD2  LEU   3          HD21      LEU   3  -2.370 -11.036 -11.036
  601   3HD2  LEU   3          HD23      LEU   3  -1.068 -11.559 -11.559
  602    H    LEU   4            HN      LEU   4  -4.763  -9.515  -9.515
  603    HA   LEU   4            HA      LEU   4  -5.991  -8.393  -8.393
  604   1HB   LEU   4           HB2      LEU   4  -7.970  -9.498  -9.498
  605   2HB   LEU   4           HB1      LEU   4  -8.040  -7.760  -7.760
  606    HG   LEU   4            HG      LEU   4  -7.749  -8.303  -8.303
  607   1HD1  LEU   4          HD13      LEU   4  -8.969 -10.423 -10.423
  608   2HD1  LEU   4          HD12      LEU   4 -10.335  -9.344  -9.344
  609   3HD1  LEU   4          HD11      LEU   4  -9.690  -9.552  -9.552
  610   1HD2  LEU   4          HD23      LEU   4  -9.731  -6.906  -6.906
  611   2HD2  LEU   4          HD22      LEU   4  -8.586  -6.193  -6.193
  612   3HD2  LEU   4          HD21      LEU   4 -10.013  -7.040  -7.040
  613    HA   PRO   5            HA      PRO   5  -5.436  -4.993  -4.993
  614   1HB   PRO   5           HB2      PRO   5  -5.113  -5.668  -5.668
  615   2HB   PRO   5           HB1      PRO   5  -6.695  -5.387  -5.387
  616   1HG   PRO   5           HG2      PRO   5  -5.450  -7.966  -7.966
  617   2HG   PRO   5           HG1      PRO   5  -7.163  -7.566  -7.566
  618   1HD   PRO   5           HD2      PRO   5  -5.516  -9.004  -9.004
  619   2HD   PRO   5           HD1      PRO   5  -7.165  -8.423  -8.423
  620    H    LYS   6            HN      LYS   6  -3.295  -6.614  -6.614
  621    HA   LYS   6            HA      LYS   6  -0.975  -5.424  -5.424
  622   1HB   LYS   6           HB2      LYS   6  -1.839  -7.788  -7.788
  623   2HB   LYS   6           HB1      LYS   6  -0.231  -8.020  -8.020
  624   1HG   LYS   6           HG2      LYS   6   0.689  -6.256  -6.256
  625   2HG   LYS   6           HG1      LYS   6  -0.860  -5.429  -5.429
  626   1HD   LYS   6           HD2      LYS   6  -1.628  -7.210  -7.210
  627   2HD   LYS   6           HD1      LYS   6  -0.053  -7.993  -7.993
  628   1HE   LYS   6           HE2      LYS   6  -0.005  -6.666  -6.666
  629   2HE   LYS   6           HE1      LYS   6   0.986  -5.831  -5.831
  630   1HZ   LYS   6           HZ2      LYS   6  -1.863  -5.223  -5.223
  631   2HZ   LYS   6           HZ1      LYS   6  -0.539  -4.330  -4.330
  632   3HZ   LYS   6           HZ3      LYS   6  -0.858  -4.387  -4.387
  633    H    LEU   7            HN      LEU   7   0.899  -5.999  -5.999
  634    HA   LEU   7            HA      LEU   7   0.503  -8.074  -8.074
  635   1HB   LEU   7           HB2      LEU   7   0.955  -5.171  -5.171
  636   2HB   LEU   7           HB1      LEU   7   2.056  -6.169  -6.169
  637    HG   LEU   7            HG      LEU   7   0.012  -5.612  -5.612
  638   1HD1  LEU   7          HD11      LEU   7   1.248  -7.862  -7.862
  639   2HD1  LEU   7          HD13      LEU   7  -0.106  -8.542  -8.542
  640   3HD1  LEU   7          HD12      LEU   7  -0.386  -7.788  -7.788
  641   1HD2  LEU   7          HD23      LEU   7  -1.321  -5.826  -5.826
  642   2HD2  LEU   7          HD22      LEU   7  -2.116  -5.929  -5.929
  643   3HD2  LEU   7          HD21      LEU   7  -1.685  -7.402  -7.402
  644    HA   PRO   8            HA      PRO   8   4.598  -8.401  -8.401
  645   1HB   PRO   8           HB2      PRO   8   4.277 -10.957 -10.957
  646   2HB   PRO   8           HB1      PRO   8   3.793  -9.508  -9.508
  647   1HG   PRO   8           HG2      PRO   8   2.073 -11.489 -11.489
  648   2HG   PRO   8           HG1      PRO   8   1.673 -10.438 -10.438
  649   1HD   PRO   8           HD2      PRO   8   0.956  -9.986  -9.986
  650   2HD   PRO   8           HD1      PRO   8   0.841  -8.810  -8.810
  651    HA   PRO   9            HA      PRO   9   6.045 -10.777 -10.777
  652   1HB   PRO   9           HB2      PRO   9   8.738 -10.634 -10.634
  653   2HB   PRO   9           HB1      PRO   9   7.806  -9.293  -9.293
  654   1HG   PRO   9           HG2      PRO   9   8.888  -9.592  -9.592
  655   2HG   PRO   9           HG1      PRO   9   8.484  -8.114  -8.114
  656   1HD   PRO   9           HD2      PRO   9   6.898  -9.357  -9.357
  657   2HD   PRO   9           HD1      PRO   9   6.400  -8.026  -8.026
  658    H    LYS  10            HN      LYS  10   8.056 -11.415 -11.415
  659    HA   LYS  10            HA      LYS  10   7.155 -14.104 -14.104
  660   1HB   LYS  10           HB2      LYS  10   8.607 -14.035 -14.035
  661   2HB   LYS  10           HB1      LYS  10   9.923 -14.194 -14.194
  662   1HG   LYS  10           HG2      LYS  10   7.573 -15.976 -15.976
  663   2HG   LYS  10           HG1      LYS  10   8.604 -16.326 -16.326
  664   1HD   LYS  10           HD2      LYS  10  10.566 -16.478 -16.478
  665   2HD   LYS  10           HD1      LYS  10   9.635 -15.954 -15.954
  666   1HE   LYS  10           HE2      LYS  10   9.768 -18.328 -18.328
  667   2HE   LYS  10           HE1      LYS  10   8.141 -17.989 -17.989
  668   1HZ   LYS  10           HZ1      LYS  10   9.251 -18.227 -18.227
  669   2HZ   LYS  10           HZ3      LYS  10  10.452 -19.074 -19.074
  670   3HZ   LYS  10           HZ2      LYS  10   8.846 -19.624 -19.624
  671    H    THR  11            HN      THR  11   7.275 -13.210 -13.210
  672    HA   THR  11            HA      THR  11   8.315 -12.914 -12.914
  673    HB   THR  11            HB      THR  11  10.932 -13.963 -13.963
  674    HG1  THR  11           HG1      THR  11   8.598 -15.568 -15.568
  675   1HG2  THR  11          HG23      THR  11   9.683 -13.630 -13.630
  676   2HG2  THR  11          HG22      THR  11   9.453 -15.349 -15.349
  677   3HG2  THR  11          HG21      THR  11  11.079 -14.668 -14.668
  678    H    TYR  12            HN      TYR  12  10.467 -11.880 -11.880
  679    HA   TYR  12            HA      TYR  12  10.719  -9.255  -9.255
  680   1HB   TYR  12           HB2      TYR  12  12.548 -10.736 -10.736
  681   2HB   TYR  12           HB1      TYR  12  12.604  -9.002  -9.002
  682    HD1  TYR  12           HD2      TYR  12   9.964  -8.024  -8.024
  683    HD2  TYR  12           HD1      TYR  12  11.548 -11.231 -11.231
  684    HE1  TYR  12           HE2      TYR  12   8.172  -7.667  -7.667
  685    HE2  TYR  12           HE1      TYR  12   9.757 -10.873 -10.873
  686    HH   TYR  12            HH      TYR  12   7.006  -9.111  -9.111
  687    H    LYS  13            HN      LYS  13  12.396  -8.319  -8.319
  688    HA   LYS  13            HA      LYS  13  14.801  -9.658  -9.658
  689   1HB   LYS  13           HB2      LYS  13  12.808 -10.952 -10.952
  690   2HB   LYS  13           HB1      LYS  13  12.895  -9.596  -9.596
  691   1HG   LYS  13           HG2      LYS  13  14.389 -11.166 -11.166
  692   2HG   LYS  13           HG1      LYS  13  15.446 -10.066 -10.066
  693   1HD   LYS  13           HD2      LYS  13  14.926 -11.792 -11.792
  694   2HD   LYS  13           HD1      LYS  13  14.697 -12.885 -12.885
  695   1HE   LYS  13           HE2      LYS  13  16.921 -12.353 -12.353
  696   2HE   LYS  13           HE1      LYS  13  17.153 -11.161 -11.161
  697   1HZ   LYS  13           HZ3      LYS  13  16.602 -14.020 -14.020
  698   2HZ   LYS  13           HZ2      LYS  13  18.175 -13.395 -13.395
  699   3HZ   LYS  13           HZ1      LYS  13  17.141 -12.841 -12.841
  700    H    ARG  14            HN      ARG  14  12.319  -7.682  -7.682
  701    HA   ARG  14            HA      ARG  14  14.299  -5.452  -5.452
  702   1HB   ARG  14           HB2      ARG  14  12.844  -6.773  -6.773
  703   2HB   ARG  14           HB1      ARG  14  13.168  -5.042  -5.042
  704   1HG   ARG  14           HG2      ARG  14  15.284  -7.138  -7.138
  705   2HG   ARG  14           HG1      ARG  14  14.976  -6.448  -6.448
  706   1HD   ARG  14           HD2      ARG  14  15.200  -4.183  -4.183
  707   2HD   ARG  14           HD1      ARG  14  16.346  -5.261  -5.261
  708    HE   ARG  14            HE      ARG  14  17.734  -5.078  -5.078
  709   1HH1  ARG  14          HH21      ARG  14  15.369  -2.831  -2.831
  710   2HH1  ARG  14          HH22      ARG  14  15.336  -2.844  -2.844
  711   1HH2  ARG  14          HH11      ARG  14  17.325  -5.671  -5.671
  712   2HH2  ARG  14          HH12      ARG  14  16.444  -4.451  -4.451
  713    H    GLU  15            HN      GLU  15  10.939  -6.127  -6.127
  714    HA   GLU  15            HA      GLU  15  10.114  -3.651  -3.651
  715   1HB   GLU  15           HB2      GLU  15   9.053  -4.907  -4.907
  716   2HB   GLU  15           HB1      GLU  15   8.173  -3.661  -3.661
  717   1HG   GLU  15           HG2      GLU  15  10.481  -2.381  -2.381
  718   2HG   GLU  15           HG1      GLU  15  10.761  -3.449  -3.449

  Start of MODEL   29
    1   1H    GLY  -8           HT2      GLY  -8   3.411 -11.134 -11.134
    2   2H    GLY  -8           HT1      GLY  -8   5.024 -11.155 -11.155
    3   3H    GLY  -8           HT3      GLY  -8   4.622 -11.895 -11.895
    4   1HA   GLY  -8           HA1      GLY  -8   4.013  -9.546  -9.546
    5   2HA   GLY  -8           HA2      GLY  -8   5.745  -9.966  -9.966
    6    H    SER  -7            HN      SER  -7   6.252  -8.593  -8.593
    7    HA   SER  -7            HA      SER  -7   6.134  -6.529  -6.529
    8   1HB   SER  -7           HB2      SER  -7   3.423  -7.610  -7.610
    9   2HB   SER  -7           HB1      SER  -7   3.433  -5.852  -5.852
   10    HG   SER  -7            HG      SER  -7   4.970  -6.114  -6.114
   11    H    ARG  -6            HN      ARG  -6   7.142  -5.581  -5.581
   12    HA   ARG  -6            HA      ARG  -6   5.630  -4.502  -4.502
   13   1HB   ARG  -6           HB2      ARG  -6   8.427  -4.535  -4.535
   14   2HB   ARG  -6           HB1      ARG  -6   7.982  -3.123  -3.123
   15   1HG   ARG  -6           HG2      ARG  -6   8.478  -4.546  -4.546
   16   2HG   ARG  -6           HG1      ARG  -6   6.795  -5.009  -5.009
   17   1HD   ARG  -6           HD2      ARG  -6   7.397  -7.094  -7.094
   18   2HD   ARG  -6           HD1      ARG  -6   8.488  -6.482  -6.482
   19    HE   ARG  -6            HE      ARG  -6  10.290  -6.580  -6.580
   20   1HH1  ARG  -6          HH11      ARG  -6   8.634  -5.726  -5.726
   21   2HH1  ARG  -6          HH12      ARG  -6   8.636  -7.175  -7.175
   22   1HH2  ARG  -6          HH21      ARG  -6   9.710  -9.199  -9.199
   23   2HH2  ARG  -6          HH22      ARG  -6   9.269  -9.126  -9.126
   24    H    ARG  -5            HN      ARG  -5   6.388  -2.019  -2.019
   25    HA   ARG  -5            HA      ARG  -5   5.930   0.223   0.223
   26   1HB   ARG  -5           HB2      ARG  -5   6.958  -0.716  -0.716
   27   2HB   ARG  -5           HB1      ARG  -5   5.496   0.187   0.187
   28   1HG   ARG  -5           HG2      ARG  -5   6.933   1.982   1.982
   29   2HG   ARG  -5           HG1      ARG  -5   6.559   1.874   1.874
   30   1HD   ARG  -5           HD2      ARG  -5   8.701   1.361   1.361
   31   2HD   ARG  -5           HD1      ARG  -5   8.698   0.028   0.028
   32    HE   ARG  -5            HE      ARG  -5   9.452   2.844   2.844
   33   1HH1  ARG  -5          HH21      ARG  -5   8.636  -0.198  -0.198
   34   2HH1  ARG  -5          HH22      ARG  -5   9.932  -0.190  -0.190
   35   1HH2  ARG  -5          HH11      ARG  -5  11.364   2.733   2.733
   36   2HH2  ARG  -5          HH12      ARG  -5  11.462   1.472   1.472
   37    H    ALA  -4            HN      ALA  -4   3.979   0.705   0.705
   38    HA   ALA  -4            HA      ALA  -4   1.604   0.288   0.288
   39   1HB   ALA  -4           HB3      ALA  -4   2.167  -1.124  -1.124
   40   2HB   ALA  -4           HB2      ALA  -4   0.533  -0.490  -0.490
   41   3HB   ALA  -4           HB1      ALA  -4   1.182  -1.641  -1.641
   42    H    SER  -3            HN      SER  -3   0.098   1.953   1.953
   43    HA   SER  -3            HA      SER  -3   0.972   4.232   4.232
   44   1HB   SER  -3           HB2      SER  -3  -1.658   3.734   3.734
   45   2HB   SER  -3           HB1      SER  -3  -1.160   5.270   5.270
   46    HG   SER  -3            HG      SER  -3   0.270   3.828   3.828
   47    H    VAL  -2            HN      VAL  -2  -2.304   2.745   2.745
   48    HA   VAL  -2            HA      VAL  -2  -1.923   2.603   2.603
   49    HB   VAL  -2            HB      VAL  -2  -4.722   3.064   3.064
   50   1HG1  VAL  -2          HG11      VAL  -2  -2.435   4.464   4.464
   51   2HG1  VAL  -2          HG13      VAL  -2  -3.984   5.298   5.298
   52   3HG1  VAL  -2          HG12      VAL  -2  -3.879   3.745   3.745
   53   1HG2  VAL  -2          HG23      VAL  -2  -2.938   4.971   4.971
   54   2HG2  VAL  -2          HG22      VAL  -2  -4.422   4.190   4.190
   55   3HG2  VAL  -2          HG21      VAL  -2  -4.494   5.487   5.487
   56    H    GLY  -1            HN      GLY  -1  -2.156   0.602   0.602
   57   1HA   GLY  -1           HA2      GLY  -1  -4.390  -1.065  -1.065
   58   2HA   GLY  -1           HA1      GLY  -1  -2.844  -1.678  -1.678
   59    H    SER   0            HN      SER   0  -4.728  -0.943  -0.943
   60    HA   SER   0            HA      SER   0  -2.670  -2.396  -2.396
   61   1HB   SER   0           HB2      SER   0  -4.118  -1.184  -1.184
   62   2HB   SER   0           HB1      SER   0  -2.813  -0.340  -0.340
   63    HG   SER   0            HG      SER   0  -4.316   1.003   1.003
   64    H    MET   1            HN      MET   1  -3.706  -3.560  -3.560
   65    HA   MET   1            HA      MET   1  -6.327  -4.737  -4.737
   66   1HB   MET   1           HB2      MET   1  -3.780  -6.066  -6.066
   67   2HB   MET   1           HB1      MET   1  -5.263  -6.791  -6.791
   68   1HG   MET   1           HG2      MET   1  -5.214  -7.829  -7.829
   69   2HG   MET   1           HG1      MET   1  -6.042  -6.359  -6.359
   70   1HE   MET   1           HE2      MET   1  -5.598  -6.037  -6.037
   71   2HE   MET   1           HE1      MET   1  -4.092  -6.266  -6.266
   72   3HE   MET   1           HE3      MET   1  -4.927  -7.656  -7.656
   73    H    GLU   2            HN      GLU   2  -6.857  -6.217  -6.217
   74    HA   GLU   2            HA      GLU   2  -6.906  -4.100  -4.100
   75   1HB   GLU   2           HB2      GLU   2  -9.006  -5.420  -5.420
   76   2HB   GLU   2           HB1      GLU   2  -9.106  -5.932  -5.932
   77   1HG   GLU   2           HG2      GLU   2  -9.487  -3.757  -3.757
   78   2HG   GLU   2           HG1      GLU   2  -8.763  -3.031  -3.031
   79    H    ALA   3            HN      ALA   3  -7.723  -5.341  -5.341
   80    HA   ALA   3            HA      ALA   3  -6.672  -8.026  -8.026
   81   1HB   ALA   3           HB2      ALA   3  -5.316  -5.625  -5.625
   82   2HB   ALA   3           HB1      ALA   3  -5.134  -7.242  -7.242
   83   3HB   ALA   3           HB3      ALA   3  -4.621  -6.922  -6.922
   84    H    ILE   4            HN      ILE   4  -8.138  -8.927  -8.927
   85    HA   ILE   4            HA      ILE   4 -10.183  -7.651  -7.651
   86    HB   ILE   4            HB      ILE   4 -10.403  -9.892  -9.892
   87   1HG1  ILE   4          HG12      ILE   4 -10.355 -10.626 -10.626
   88   2HG1  ILE   4          HG11      ILE   4 -11.098  -9.043  -9.043
   89   1HG2  ILE   4          HG21      ILE   4  -7.772 -10.203 -10.203
   90   2HG2  ILE   4          HG23      ILE   4  -8.689 -11.180 -11.180
   91   3HG2  ILE   4          HG22      ILE   4  -8.840 -11.482 -11.482
   92   1HD1  ILE   4          HD11      ILE   4 -11.791 -11.535 -11.535
   93   2HD1  ILE   4          HD13      ILE   4 -12.703 -10.921 -10.921
   94   3HD1  ILE   4          HD12      ILE   4 -12.596  -9.972  -9.972
   95    H    ALA   5            HN      ALA   5 -10.313  -6.749  -6.749
   96    HA   ALA   5            HA      ALA   5  -7.967  -6.790  -6.790
   97   1HB   ALA   5           HB3      ALA   5 -10.616  -5.368  -5.368
   98   2HB   ALA   5           HB2      ALA   5  -9.836  -5.607  -5.607
   99   3HB   ALA   5           HB1      ALA   5  -8.995  -4.730  -4.730
  100    H    LYS   6            HN      LYS   6  -7.850  -8.891  -8.891
  101    HA   LYS   6            HA      LYS   6  -9.692 -10.801 -10.801
  102   1HB   LYS   6           HB2      LYS   6  -7.016 -10.607 -10.607
  103   2HB   LYS   6           HB1      LYS   6  -7.394 -10.545 -10.545
  104   1HG   LYS   6           HG2      LYS   6  -8.037 -12.682 -12.682
  105   2HG   LYS   6           HG1      LYS   6  -8.807 -12.632 -12.632
  106   1HD   LYS   6           HD2      LYS   6  -6.681 -12.881 -12.881
  107   2HD   LYS   6           HD1      LYS   6  -5.786 -12.611 -12.611
  108   1HE   LYS   6           HE2      LYS   6  -5.832 -15.016 -15.016
  109   2HE   LYS   6           HE1      LYS   6  -6.760 -14.706 -14.706
  110   1HZ   LYS   6           HZ3      LYS   6  -8.560 -14.454 -14.454
  111   2HZ   LYS   6           HZ2      LYS   6  -7.599 -15.779 -15.779
  112   3HZ   LYS   6           HZ1      LYS   6  -8.397 -15.772 -15.772
  113    H    TYR   7            HN      TYR   7  -8.869  -8.093  -8.093
  114    HA   TYR   7            HA      TYR   7 -11.229  -8.724  -8.724
  115   1HB   TYR   7           HB2      TYR   7  -8.617  -8.169  -8.169
  116   2HB   TYR   7           HB1      TYR   7 -10.102  -8.812  -8.812
  117    HD1  TYR   7           HD2      TYR   7 -10.729 -11.183 -11.183
  118    HD2  TYR   7           HD1      TYR   7  -7.014  -9.562  -9.562
  119    HE1  TYR   7           HE2      TYR   7  -9.830 -13.488 -13.488
  120    HE2  TYR   7           HE1      TYR   7  -6.102 -11.853 -11.853
  121    HH   TYR   7            HH      TYR   7  -7.750 -14.446 -14.446
  122    H    ASP   8            HN      ASP   8 -11.045  -6.944  -6.944
  123    HA   ASP   8            HA      ASP   8 -11.249  -4.381  -4.381
  124   1HB   ASP   8           HB2      ASP   8 -12.128  -5.607  -5.607
  125   2HB   ASP   8           HB1      ASP   8 -11.250  -4.131  -4.131
  126    H    PHE   9            HN      PHE   9 -10.154  -2.498  -2.498
  127    HA   PHE   9            HA      PHE   9  -7.795  -2.598  -2.598
  128   1HB   PHE   9           HB2      PHE   9  -7.282  -3.764  -3.764
  129   2HB   PHE   9           HB1      PHE   9  -6.737  -2.096  -2.096
  130    HD1  PHE   9           HD2      PHE   9  -6.712  -4.549  -4.549
  131    HD2  PHE   9           HD1      PHE   9  -4.433  -1.834  -1.834
  132    HE1  PHE   9           HE2      PHE   9  -4.677  -5.075  -5.075
  133    HE2  PHE   9           HE1      PHE   9  -2.428  -2.322  -2.322
  134    HZ   PHE   9            HZ      PHE   9  -2.553  -3.948  -3.948
  135    H    LYS  10            HN      LYS  10  -6.492  -0.537  -0.537
  136    HA   LYS  10            HA      LYS  10  -7.984   1.566   1.566
  137   1HB   LYS  10           HB2      LYS  10  -8.135   3.046   3.046
  138   2HB   LYS  10           HB1      LYS  10  -8.632   1.490   1.490
  139   1HG   LYS  10           HG2      LYS  10  -6.898   1.455   1.455
  140   2HG   LYS  10           HG1      LYS  10  -5.735   1.917   1.917
  141   1HD   LYS  10           HD2      LYS  10  -5.658   3.737   3.737
  142   2HD   LYS  10           HD1      LYS  10  -6.783   4.292   4.292
  143   1HE   LYS  10           HE2      LYS  10  -8.265   2.827   2.827
  144   2HE   LYS  10           HE1      LYS  10  -7.266   4.040   4.040
  145   1HZ   LYS  10           HZ3      LYS  10  -8.860   4.724   4.724
  146   2HZ   LYS  10           HZ2      LYS  10  -9.562   4.751   4.751
  147   3HZ   LYS  10           HZ1      LYS  10  -8.244   5.765   5.765
  148    H    ALA  11            HN      ALA  11  -6.601   3.622   3.622
  149    HA   ALA  11            HA      ALA  11  -4.058   2.766   2.766
  150   1HB   ALA  11           HB3      ALA  11  -5.326   5.446   5.446
  151   2HB   ALA  11           HB2      ALA  11  -3.613   5.284   5.284
  152   3HB   ALA  11           HB1      ALA  11  -4.858   4.682   4.682
  153    H    THR  12            HN      THR  12  -2.336   2.329   2.329
  154    HA   THR  12            HA      THR  12  -2.645   4.025   4.025
  155    HB   THR  12            HB      THR  12  -1.062   2.273   2.273
  156    HG1  THR  12           HG1      THR  12   0.213   1.861   1.861
  157   1HG2  THR  12          HG23      THR  12  -2.444   0.726   0.726
  158   2HG2  THR  12          HG22      THR  12  -2.102  -0.045  -0.045
  159   3HG2  THR  12          HG21      THR  12  -3.548   0.956   0.956
  160    H    ALA  13            HN      ALA  13  -0.468   3.230   3.230
  161    HA   ALA  13            HA      ALA  13   1.692   4.916   4.916
  162   1HB   ALA  13           HB3      ALA  13   1.482   3.286   3.286
  163   2HB   ALA  13           HB2      ALA  13   2.317   4.839   4.839
  164   3HB   ALA  13           HB1      ALA  13   2.894   3.669   3.669
  165    H    ASP  14            HN      ASP  14   2.359   6.851   6.851
  166    HA   ASP  14            HA      ASP  14   0.058   8.587   8.587
  167   1HB   ASP  14           HB2      ASP  14   2.486   8.979   8.979
  168   2HB   ASP  14           HB1      ASP  14   2.765   9.277   9.277
  169    H    ASP  15            HN      ASP  15   1.666   6.545   6.545
  170    HA   ASP  15            HA      ASP  15   0.344   7.816   7.816
  171   1HB   ASP  15           HB2      ASP  15   2.124   7.132   7.132
  172   2HB   ASP  15           HB1      ASP  15   2.891   7.754   7.754
  173    H    GLU  16            HN      GLU  16  -0.705   5.795   5.795
  174    HA   GLU  16            HA      GLU  16  -0.792   3.336   3.336
  175   1HB   GLU  16           HB2      GLU  16  -0.372   3.421   3.421
  176   2HB   GLU  16           HB1      GLU  16  -2.085   3.794   3.794
  177   1HG   GLU  16           HG2      GLU  16  -2.723   1.697   1.697
  178   2HG   GLU  16           HG1      GLU  16  -1.479   1.520   1.520
  179    H    LEU  17            HN      LEU  17  -2.875   2.233   2.233
  180    HA   LEU  17            HA      LEU  17  -5.031   4.154   4.154
  181   1HB   LEU  17           HB2      LEU  17  -4.097   3.080   3.080
  182   2HB   LEU  17           HB1      LEU  17  -4.248   1.497   1.497
  183    HG   LEU  17            HG      LEU  17  -6.778   2.037   2.037
  184   1HD1  LEU  17          HD12      LEU  17  -6.275   4.478   4.478
  185   2HD1  LEU  17          HD11      LEU  17  -6.063   3.822   3.822
  186   3HD1  LEU  17          HD13      LEU  17  -7.612   3.658   3.658
  187   1HD2  LEU  17          HD22      LEU  17  -5.055   0.940   0.940
  188   2HD2  LEU  17          HD21      LEU  17  -6.653   0.395   0.395
  189   3HD2  LEU  17          HD23      LEU  17  -6.506   1.653   1.653
  190    H    SER  18            HN      SER  18  -6.796   4.003   4.003
  191    HA   SER  18            HA      SER  18  -7.189   1.795   1.795
  192   1HB   SER  18           HB2      SER  18  -9.202   3.851   3.851
  193   2HB   SER  18           HB1      SER  18  -8.632   3.209   3.209
  194    HG   SER  18            HG      SER  18  -7.949   5.400   5.400
  195    H    PHE  19            HN      PHE  19  -8.767   0.151   0.151
  196    HA   PHE  19            HA      PHE  19 -10.859   0.513   0.513
  197   1HB   PHE  19           HB2      PHE  19 -10.276  -1.461  -1.461
  198   2HB   PHE  19           HB1      PHE  19  -9.088  -0.167  -0.167
  199    HD1  PHE  19           HD1      PHE  19  -9.791  -3.502  -3.502
  200    HD2  PHE  19           HD2      PHE  19  -6.862  -0.411  -0.411
  201    HE1  PHE  19           HE1      PHE  19  -8.009  -5.074  -5.074
  202    HE2  PHE  19           HE2      PHE  19  -5.067  -1.977  -1.977
  203    HZ   PHE  19            HZ      PHE  19  -5.639  -4.316  -4.316
  204    H    LYS  20            HN      LYS  20 -12.118  -1.596  -1.596
  205    HA   LYS  20            HA      LYS  20 -12.640  -2.735  -2.735
  206   1HB   LYS  20           HB2      LYS  20 -14.426  -2.447  -2.447
  207   2HB   LYS  20           HB1      LYS  20 -14.927  -3.036  -3.036
  208   1HG   LYS  20           HG2      LYS  20 -13.598  -0.562  -0.562
  209   2HG   LYS  20           HG1      LYS  20 -14.681  -0.309  -0.309
  210   1HD   LYS  20           HD2      LYS  20 -15.534  -1.651  -1.651
  211   2HD   LYS  20           HD1      LYS  20 -15.724   0.080   0.080
  212   1HE   LYS  20           HE2      LYS  20 -16.728  -1.370  -1.370
  213   2HE   LYS  20           HE1      LYS  20 -17.484  -2.007  -2.007
  214   1HZ   LYS  20           HZ1      LYS  20 -17.280   0.905   0.905
  215   2HZ   LYS  20           HZ3      LYS  20 -18.621  -0.022  -0.022
  216   3HZ   LYS  20           HZ2      LYS  20 -18.238   0.135   0.135
  217    H    ARG  21            HN      ARG  21 -13.914  -4.901  -4.901
  218    HA   ARG  21            HA      ARG  21 -12.227  -6.896  -6.896
  219   1HB   ARG  21           HB2      ARG  21 -13.362  -7.135  -7.135
  220   2HB   ARG  21           HB1      ARG  21 -14.907  -7.180  -7.180
  221   1HG   ARG  21           HG2      ARG  21 -14.482  -9.269  -9.269
  222   2HG   ARG  21           HG1      ARG  21 -12.721  -9.094  -9.094
  223   1HD   ARG  21           HD2      ARG  21 -13.259  -8.949  -8.949
  224   2HD   ARG  21           HD1      ARG  21 -14.731  -9.789  -9.789
  225    HE   ARG  21            HE      ARG  21 -12.018 -10.871 -10.871
  226   1HH1  ARG  21          HH21      ARG  21 -14.593 -11.308 -11.308
  227   2HH1  ARG  21          HH22      ARG  21 -14.868 -12.972 -12.972
  228   1HH2  ARG  21          HH11      ARG  21 -12.638 -13.007 -13.007
  229   2HH2  ARG  21          HH12      ARG  21 -13.744 -13.934 -13.934
  230    H    GLY  22            HN      GLY  22 -12.468  -6.802  -6.802
  231   1HA   GLY  22           HA2      GLY  22 -13.774  -7.847  -7.847
  232   2HA   GLY  22           HA1      GLY  22 -15.228  -7.171  -7.171
  233    H    ASP  23            HN      ASP  23 -13.077  -4.791  -4.791
  234    HA   ASP  23            HA      ASP  23 -13.949  -3.204  -3.204
  235   1HB   ASP  23           HB2      ASP  23 -12.916  -2.798  -2.798
  236   2HB   ASP  23           HB1      ASP  23 -11.761  -2.073  -2.073
  237    H    ILE  24            HN      ILE  24 -13.028  -4.121  -4.121
  238    HA   ILE  24            HA      ILE  24 -10.281  -5.013  -5.013
  239    HB   ILE  24            HB      ILE  24 -11.952  -4.689  -4.689
  240   1HG1  ILE  24          HG12      ILE  24 -12.059  -6.831  -6.831
  241   2HG1  ILE  24          HG11      ILE  24 -13.394  -5.831  -5.831
  242   1HG2  ILE  24          HG22      ILE  24  -9.389  -5.422  -5.422
  243   2HG2  ILE  24          HG21      ILE  24 -10.163  -6.975  -6.975
  244   3HG2  ILE  24          HG23      ILE  24 -10.417  -6.134  -6.134
  245   1HD1  ILE  24          HD12      ILE  24 -13.277  -6.900  -6.900
  246   2HD1  ILE  24          HD11      ILE  24 -11.958  -7.916  -7.916
  247   3HD1  ILE  24          HD13      ILE  24 -13.560  -8.072  -8.072
  248    H    LEU  25            HN      LEU  25  -8.528  -3.991  -3.991
  249    HA   LEU  25            HA      LEU  25  -8.693  -1.117  -1.117
  250   1HB   LEU  25           HB2      LEU  25  -6.178  -2.734  -2.734
  251   2HB   LEU  25           HB1      LEU  25  -6.424  -1.034  -1.034
  252    HG   LEU  25            HG      LEU  25  -6.465  -1.919  -1.919
  253   1HD1  LEU  25          HD12      LEU  25  -9.354  -2.173  -2.173
  254   2HD1  LEU  25          HD11      LEU  25  -8.836  -2.266  -2.266
  255   3HD1  LEU  25          HD13      LEU  25  -8.590  -0.788  -0.788
  256   1HD2  LEU  25          HD21      LEU  25  -6.457  -4.346  -4.346
  257   2HD2  LEU  25          HD23      LEU  25  -6.794  -4.141  -4.141
  258   3HD2  LEU  25          HD22      LEU  25  -8.124  -4.351  -4.351
  259    H    LYS  26            HN      LYS  26  -7.104  -0.080  -0.080
  260    HA   LYS  26            HA      LYS  26  -6.899  -1.669  -1.669
  261   1HB   LYS  26           HB2      LYS  26  -6.926   1.319   1.319
  262   2HB   LYS  26           HB1      LYS  26  -6.620   0.626   0.626
  263   1HG   LYS  26           HG2      LYS  26  -9.010  -0.550  -0.550
  264   2HG   LYS  26           HG1      LYS  26  -9.137   1.208   1.208
  265   1HD   LYS  26           HD2      LYS  26  -8.046   0.510   0.510
  266   2HD   LYS  26           HD1      LYS  26  -9.329  -0.662  -0.662
  267   1HE   LYS  26           HE2      LYS  26 -10.626   1.013   1.013
  268   2HE   LYS  26           HE1      LYS  26 -10.616   1.579   1.579
  269   1HZ   LYS  26           HZ2      LYS  26  -8.465   2.386   2.386
  270   2HZ   LYS  26           HZ1      LYS  26  -9.951   3.210   3.210
  271   3HZ   LYS  26           HZ3      LYS  26  -9.018   3.170   3.170
  272    H    VAL  27            HN      VAL  27  -4.836  -2.628  -2.628
  273    HA   VAL  27            HA      VAL  27  -2.707  -1.468  -1.468
  274    HB   VAL  27            HB      VAL  27  -2.094  -3.229  -3.229
  275   1HG1  VAL  27          HG11      VAL  27  -0.333  -2.181  -2.181
  276   2HG1  VAL  27          HG13      VAL  27  -1.015  -3.097  -3.097
  277   3HG1  VAL  27          HG12      VAL  27  -0.306  -3.944  -3.944
  278   1HG2  VAL  27          HG23      VAL  27  -3.744  -3.811  -3.811
  279   2HG2  VAL  27          HG22      VAL  27  -3.688  -4.651  -4.651
  280   3HG2  VAL  27          HG21      VAL  27  -2.455  -4.972  -4.972
  281    H    LEU  28            HN      LEU  28  -1.689   0.297   0.297
  282    HA   LEU  28            HA      LEU  28  -1.504   1.706   1.706
  283   1HB   LEU  28           HB2      LEU  28  -1.297   2.299   2.299
  284   2HB   LEU  28           HB1      LEU  28  -0.029   3.085   3.085
  285    HG   LEU  28            HG      LEU  28  -1.644   4.235   4.235
  286   1HD1  LEU  28          HD12      LEU  28  -3.570   2.290   2.290
  287   2HD1  LEU  28          HD11      LEU  28  -4.161   3.863   3.863
  288   3HD1  LEU  28          HD13      LEU  28  -3.418   2.760   2.760
  289   1HD2  LEU  28          HD21      LEU  28  -2.347   4.237   4.237
  290   2HD2  LEU  28          HD23      LEU  28  -1.233   5.323   5.323
  291   3HD2  LEU  28          HD22      LEU  28  -2.965   5.435   5.435
  292    H    ASN  29            HN      ASN  29   0.513   0.062   0.062
  293    HA   ASN  29            HA      ASN  29   2.725  -0.017  -0.017
  294   1HB   ASN  29           HB2      ASN  29   2.868   1.876   1.876
  295   2HB   ASN  29           HB1      ASN  29   3.435   0.559   0.559
  296   1HD2  ASN  29          HD22      ASN  29   6.280   2.173   2.173
  297   2HD2  ASN  29          HD21      ASN  29   4.978   2.890   2.890
  298    H    GLU  30            HN      GLU  30   3.536  -2.055  -2.055
  299    HA   GLU  30            HA      GLU  30   2.923  -4.045  -4.045
  300   1HB   GLU  30           HB2      GLU  30   3.880  -4.271  -4.271
  301   2HB   GLU  30           HB1      GLU  30   3.981  -5.632  -5.632
  302   1HG   GLU  30           HG2      GLU  30   1.437  -5.023  -5.023
  303   2HG   GLU  30           HG1      GLU  30   1.542  -4.316  -4.316
  304    H    GLU  31            HN      GLU  31   4.923  -5.721  -5.721
  305    HA   GLU  31            HA      GLU  31   7.134  -6.048  -6.048
  306   1HB   GLU  31           HB2      GLU  31   7.730  -3.594  -3.594
  307   2HB   GLU  31           HB1      GLU  31   8.897  -4.788  -4.788
  308   1HG   GLU  31           HG2      GLU  31   6.571  -5.377  -5.377
  309   2HG   GLU  31           HG1      GLU  31   8.236  -5.130  -5.130
  310    H    CYS  32            HN      CYS  32   9.093  -4.487  -4.487
  311    HA   CYS  32            HA      CYS  32   9.837  -3.046  -3.046
  312   1HB   CYS  32           HB2      CYS  32   7.194  -1.615  -1.615
  313   2HB   CYS  32           HB1      CYS  32   8.681  -0.975  -0.975
  314    HG   CYS  32            HG      CYS  32   9.336  -1.821  -1.821
  315    H    ASP  33            HN      ASP  33   9.317  -2.294  -2.294
  316    HA   ASP  33            HA      ASP  33   8.742  -2.781  -2.781
  317   1HB   ASP  33           HB2      ASP  33   6.701  -1.806  -1.806
  318   2HB   ASP  33           HB1      ASP  33   6.146  -3.436  -3.436
  319    H    GLN  34            HN      GLN  34   8.213  -4.503  -4.503
  320    HA   GLN  34            HA      GLN  34   9.257  -6.952  -6.952
  321   1HB   GLN  34           HB2      GLN  34   8.009  -6.272  -6.272
  322   2HB   GLN  34           HB1      GLN  34   8.820  -7.806  -7.806
  323   1HG   GLN  34           HG2      GLN  34  10.922  -6.739  -6.739
  324   2HG   GLN  34           HG1      GLN  34  10.175  -5.140  -5.140
  325   1HE2  GLN  34          HE22      GLN  34   9.390  -5.239  -5.239
  326   2HE2  GLN  34          HE21      GLN  34   8.587  -4.902  -4.902
  327    H    ASN  35            HN      ASN  35   6.107  -5.995  -5.995
  328    HA   ASN  35            HA      ASN  35   4.899  -8.263  -8.263
  329   1HB   ASN  35           HB2      ASN  35   4.985  -7.962  -7.962
  330   2HB   ASN  35           HB1      ASN  35   3.546  -8.633  -8.633
  331   1HD2  ASN  35          HD22      ASN  35   6.417 -11.191 -11.191
  332   2HD2  ASN  35          HD21      ASN  35   5.976  -9.862  -9.862
  333    H    TRP  36            HN      TRP  36   4.791  -5.175  -5.175
  334    HA   TRP  36            HA      TRP  36   1.800  -5.075  -5.075
  335   1HB   TRP  36           HB2      TRP  36   3.594  -2.766  -2.766
  336   2HB   TRP  36           HB1      TRP  36   1.831  -2.801  -2.801
  337    HD1  TRP  36           HD1      TRP  36   4.585  -5.211  -5.211
  338    HE1  TRP  36           HE1      TRP  36   4.144  -5.611  -5.611
  339    HE3  TRP  36           HE3      TRP  36   0.475  -2.201  -2.201
  340    HZ2  TRP  36           HZ2      TRP  36   2.403  -4.721  -4.721
  341    HZ3  TRP  36           HZ3      TRP  36  -0.441  -1.913  -1.913
  342    HH2  TRP  36           HH2      TRP  36   0.501  -3.171  -3.171
  343    H    TYR  37            HN      TYR  37   0.884  -4.025  -4.025
  344    HA   TYR  37            HA      TYR  37   2.769  -3.182  -3.182
  345   1HB   TYR  37           HB2      TYR  37  -0.265  -3.357  -3.357
  346   2HB   TYR  37           HB1      TYR  37   0.840  -3.249  -3.249
  347    HD1  TYR  37           HD1      TYR  37  -0.661  -5.412  -5.412
  348    HD2  TYR  37           HD2      TYR  37   2.036  -5.197  -5.197
  349    HE1  TYR  37           HE1      TYR  37  -0.871  -7.855  -7.855
  350    HE2  TYR  37           HE2      TYR  37   1.863  -7.646  -7.646
  351    HH   TYR  37            HH      TYR  37  -0.053  -9.683  -9.683
  352    H    LYS  38            HN      LYS  38   1.329  -1.427  -1.427
  353    HA   LYS  38            HA      LYS  38   0.455   0.802   0.802
  354   1HB   LYS  38           HB2      LYS  38   2.519   1.216   1.216
  355   2HB   LYS  38           HB1      LYS  38   1.365   1.101   1.101
  356   1HG   LYS  38           HG2      LYS  38  -0.050   2.788   2.788
  357   2HG   LYS  38           HG1      LYS  38   1.417   3.083   3.083
  358   1HD   LYS  38           HD2      LYS  38   2.152   3.125   3.125
  359   2HD   LYS  38           HD1      LYS  38   0.697   4.109   4.109
  360   1HE   LYS  38           HE2      LYS  38   2.773   4.527   4.527
  361   2HE   LYS  38           HE1      LYS  38   3.195   5.094   5.094
  362   1HZ   LYS  38           HZ1      LYS  38   0.538   5.731   5.731
  363   2HZ   LYS  38           HZ3      LYS  38   1.855   6.583   6.583
  364   3HZ   LYS  38           HZ2      LYS  38   1.546   6.626   6.626
  365    H    ALA  39            HN      ALA  39  -1.668   1.588   1.588
  366    HA   ALA  39            HA      ALA  39  -2.956   0.751   0.751
  367   1HB   ALA  39           HB2      ALA  39  -2.958  -1.376  -1.376
  368   2HB   ALA  39           HB1      ALA  39  -3.900  -0.604  -0.604
  369   3HB   ALA  39           HB3      ALA  39  -4.589  -0.770  -0.770
  370    H    GLU  40            HN      GLU  40  -5.463   0.980   0.980
  371    HA   GLU  40            HA      GLU  40  -5.971   3.284   3.284
  372   1HB   GLU  40           HB2      GLU  40  -5.423   4.821   4.821
  373   2HB   GLU  40           HB1      GLU  40  -4.848   3.538   3.538
  374   1HG   GLU  40           HG2      GLU  40  -7.044   3.413   3.413
  375   2HG   GLU  40           HG1      GLU  40  -7.718   4.572   4.572
  376    H    LEU  41            HN      LEU  41  -7.911   3.600   3.600
  377    HA   LEU  41            HA      LEU  41 -10.026   1.878   1.878
  378   1HB   LEU  41           HB2      LEU  41  -9.686   3.180   3.180
  379   2HB   LEU  41           HB1      LEU  41 -11.346   3.012   3.012
  380    HG   LEU  41            HG      LEU  41  -9.439   0.733   0.733
  381   1HD1  LEU  41          HD11      LEU  41  -9.424   1.520   1.520
  382   2HD1  LEU  41          HD13      LEU  41 -11.183   1.391   1.391
  383   3HD1  LEU  41          HD12      LEU  41 -10.193  -0.056  -0.056
  384   1HD2  LEU  41          HD23      LEU  41 -11.800   0.990   0.990
  385   2HD2  LEU  41          HD22      LEU  41 -11.379  -0.529  -0.529
  386   3HD2  LEU  41          HD21      LEU  41 -12.394   0.650   0.650
  387    H    ASN  42            HN      ASN  42 -10.596   2.728   2.728
  388    HA   ASN  42            HA      ASN  42 -11.740   4.151   4.151
  389   1HB   ASN  42           HB2      ASN  42 -13.125   4.118   4.118
  390   2HB   ASN  42           HB1      ASN  42 -13.732   5.191   5.191
  391   1HD2  ASN  42          HD22      ASN  42 -14.376   2.328   2.328
  392   2HD2  ASN  42          HD21      ASN  42 -13.659   3.868   3.868
  393    H    GLY  43            HN      GLY  43  -9.536   5.541   5.541
  394   1HA   GLY  43           HA2      GLY  43  -9.271   8.006   8.006
  395   2HA   GLY  43           HA1      GLY  43 -10.629   8.308   8.308
  396    H    LYS  44            HN      LYS  44  -9.667   6.465   6.465
  397    HA   LYS  44            HA      LYS  44  -7.676   8.153   8.153
  398   1HB   LYS  44           HB2      LYS  44  -9.455   5.949   5.949
  399   2HB   LYS  44           HB1      LYS  44  -7.945   6.251   6.251
  400   1HG   LYS  44           HG2      LYS  44  -9.474   7.650   7.650
  401   2HG   LYS  44           HG1      LYS  44  -8.628   8.719   8.719
  402   1HD   LYS  44           HD2      LYS  44 -11.057   9.146   9.146
  403   2HD   LYS  44           HD1      LYS  44 -10.502   8.470   8.470
  404   1HE   LYS  44           HE2      LYS  44 -11.349   6.292   6.292
  405   2HE   LYS  44           HE1      LYS  44 -11.694   6.810   6.810
  406   1HZ   LYS  44           HZ1      LYS  44 -13.220   8.496   8.496
  407   2HZ   LYS  44           HZ3      LYS  44 -13.026   7.696   7.696
  408   3HZ   LYS  44           HZ2      LYS  44 -13.721   6.882   6.882
  409    H    ASP  45            HN      ASP  45  -5.823   6.975   6.975
  410    HA   ASP  45            HA      ASP  45  -4.985   4.645   4.645
  411   1HB   ASP  45           HB2      ASP  45  -3.623   5.627   5.627
  412   2HB   ASP  45           HB1      ASP  45  -4.729   6.958   6.958
  413    H    GLY  46            HN      GLY  46  -2.488   4.276   4.276
  414   1HA   GLY  46           HA2      GLY  46  -0.607   4.731   4.731
  415   2HA   GLY  46           HA1      GLY  46  -1.790   4.707   4.707
  416    H    PHE  47            HN      PHE  47   0.245   3.057   3.057
  417    HA   PHE  47            HA      PHE  47   0.347   0.560   0.560
  418   1HB   PHE  47           HB2      PHE  47   1.125   1.384   1.384
  419   2HB   PHE  47           HB1      PHE  47   1.512  -0.200  -0.200
  420    HD1  PHE  47           HD1      PHE  47   1.984   1.084   1.084
  421    HD2  PHE  47           HD2      PHE  47   3.476   1.881   1.881
  422    HE1  PHE  47           HE1      PHE  47   4.054   2.010   2.010
  423    HE2  PHE  47           HE2      PHE  47   5.540   2.829   2.829
  424    HZ   PHE  47            HZ      PHE  47   5.826   2.885   2.885
  425    H    ILE  48            HN      ILE  48  -0.051  -1.616  -1.616
  426    HA   ILE  48            HA      ILE  48  -2.341  -1.816  -1.816
  427    HB   ILE  48            HB      ILE  48  -3.432  -3.460  -3.460
  428   1HG1  ILE  48          HG12      ILE  48  -1.300  -2.309  -2.309
  429   2HG1  ILE  48          HG11      ILE  48  -1.582  -4.000  -4.000
  430   1HG2  ILE  48          HG23      ILE  48  -4.051  -1.002  -1.002
  431   2HG2  ILE  48          HG22      ILE  48  -3.205  -0.667  -0.667
  432   3HG2  ILE  48          HG21      ILE  48  -4.612  -1.732  -1.732
  433   1HD1  ILE  48          HD12      ILE  48  -3.921  -2.662  -2.662
  434   2HD1  ILE  48          HD11      ILE  48  -2.518  -2.718  -2.718
  435   3HD1  ILE  48          HD13      ILE  48  -3.185  -4.207  -4.207
  436    HA   PRO  49            HA      PRO  49   0.544  -5.154  -5.154
  437   1HB   PRO  49           HB2      PRO  49  -1.055  -6.262  -6.262
  438   2HB   PRO  49           HB1      PRO  49   0.091  -4.942  -4.942
  439   1HG   PRO  49           HG2      PRO  49  -2.897  -4.830  -4.830
  440   2HG   PRO  49           HG1      PRO  49  -1.843  -3.758  -3.758
  441   1HD   PRO  49           HD2      PRO  49  -2.898  -3.053  -3.053
  442   2HD   PRO  49           HD1      PRO  49  -1.433  -2.363  -2.363
  443    H    LYS  50            HN      LYS  50   0.522  -6.562  -6.562
  444    HA   LYS  50            HA      LYS  50  -1.356  -7.845  -7.845
  445   1HB   LYS  50           HB2      LYS  50   1.136  -7.971  -7.971
  446   2HB   LYS  50           HB1      LYS  50   1.060  -9.216  -9.216
  447   1HG   LYS  50           HG2      LYS  50  -0.169 -10.674 -10.674
  448   2HG   LYS  50           HG1      LYS  50  -0.517  -9.384  -9.384
  449   1HD   LYS  50           HD2      LYS  50   1.513  -9.652  -9.652
  450   2HD   LYS  50           HD1      LYS  50   2.379  -9.689  -9.689
  451   1HE   LYS  50           HE2      LYS  50   2.072 -12.026 -12.026
  452   2HE   LYS  50           HE1      LYS  50   0.762 -12.085 -12.085
  453   1HZ   LYS  50           HZ3      LYS  50   3.135 -11.088 -11.088
  454   2HZ   LYS  50           HZ2      LYS  50   3.430 -12.583 -12.583
  455   3HZ   LYS  50           HZ1      LYS  50   2.206 -12.445 -12.445
  456    H    ASN  51            HN      ASN  51  -0.436  -9.075  -9.075
  457    HA   ASN  51            HA      ASN  51  -1.706 -11.515 -11.515
  458   1HB   ASN  51           HB2      ASN  51  -1.361 -10.019 -10.019
  459   2HB   ASN  51           HB1      ASN  51  -1.450 -11.723 -11.723
  460   1HD2  ASN  51          HD22      ASN  51   1.925 -12.111 -12.111
  461   2HD2  ASN  51          HD21      ASN  51   0.390 -12.846 -12.846
  462    H    TYR  52            HN      TYR  52  -3.067  -8.417  -8.417
  463    HA   TYR  52            HA      TYR  52  -5.740  -9.549  -9.549
  464   1HB   TYR  52           HB2      TYR  52  -4.602  -6.751  -6.751
  465   2HB   TYR  52           HB1      TYR  52  -6.331  -6.997  -6.997
  466    HD1  TYR  52           HD2      TYR  52  -3.480  -8.604  -8.604
  467    HD2  TYR  52           HD1      TYR  52  -7.235  -6.594  -6.594
  468    HE1  TYR  52           HE2      TYR  52  -3.435  -8.724  -8.724
  469    HE2  TYR  52           HE1      TYR  52  -7.193  -6.683  -6.683
  470    HH   TYR  52            HH      TYR  52  -4.419  -7.617  -7.617
  471    H    ILE  53            HN      ILE  53  -4.333  -9.922  -9.922
  472    HA   ILE  53            HA      ILE  53  -6.343  -8.801  -8.801
  473    HB   ILE  53            HB      ILE  53  -3.764  -8.254  -8.254
  474   1HG1  ILE  53          HG12      ILE  53  -4.708  -6.492  -6.492
  475   2HG1  ILE  53          HG11      ILE  53  -3.317  -7.571  -7.571
  476   1HG2  ILE  53          HG22      ILE  53  -6.449  -6.919  -6.919
  477   2HG2  ILE  53          HG21      ILE  53  -5.071  -5.994  -5.994
  478   3HG2  ILE  53          HG23      ILE  53  -5.585  -7.424  -7.424
  479   1HD1  ILE  53          HD13      ILE  53  -2.421  -6.388  -6.388
  480   2HD1  ILE  53          HD12      ILE  53  -3.726  -5.220  -5.220
  481   3HD1  ILE  53          HD11      ILE  53  -2.493  -5.392  -5.392
  482    H    GLU  54            HN      GLU  54  -5.921  -9.307  -9.307
  483    HA   GLU  54            HA      GLU  54  -4.182 -11.460 -11.460
  484   1HB   GLU  54           HB2      GLU  54  -6.863 -12.067 -12.067
  485   2HB   GLU  54           HB1      GLU  54  -6.638 -12.261 -12.261
  486   1HG   GLU  54           HG2      GLU  54  -5.280 -14.067 -14.067
  487   2HG   GLU  54           HG1      GLU  54  -4.425 -13.389 -13.389
  488    H    MET  55            HN      MET  55  -3.995 -11.722 -11.722
  489    HA   MET  55            HA      MET  55  -4.563  -9.181  -9.181
  490   1HB   MET  55           HB2      MET  55  -2.261  -9.960  -9.960
  491   2HB   MET  55           HB1      MET  55  -2.720 -11.484 -11.484
  492   1HG   MET  55           HG2      MET  55  -3.494 -10.143 -10.143
  493   2HG   MET  55           HG1      MET  55  -2.733  -8.732  -8.732
  494   1HE   MET  55           HE1      MET  55  -0.850  -7.970  -7.970
  495   2HE   MET  55           HE3      MET  55   0.454  -8.768  -8.768
  496   3HE   MET  55           HE2      MET  55  -1.143  -8.596  -8.596
  497    H    LYS  56            HN      LYS  56  -6.353  -9.067  -9.067
  498    HA   LYS  56            HA      LYS  56  -7.117 -11.448 -11.448
  499   1HB   LYS  56           HB2      LYS  56  -8.589  -9.295  -9.295
  500   2HB   LYS  56           HB1      LYS  56  -9.254  -9.971  -9.971
  501   1HG   LYS  56           HG2      LYS  56  -8.826 -12.272 -12.272
  502   2HG   LYS  56           HG1      LYS  56  -8.521 -11.427 -11.427
  503   1HD   LYS  56           HD2      LYS  56 -11.136 -11.413 -11.413
  504   2HD   LYS  56           HD1      LYS  56 -10.871 -12.183 -12.183
  505   1HE   LYS  56           HE2      LYS  56 -11.688 -10.234 -10.234
  506   2HE   LYS  56           HE1      LYS  56 -10.083  -9.587  -9.587
  507   1HZ   LYS  56           HZ3      LYS  56 -11.272  -9.359  -9.359
  508   2HZ   LYS  56           HZ2      LYS  56 -12.621  -9.140  -9.140
  509   3HZ   LYS  56           HZ1      LYS  56 -11.272  -8.113  -8.113
  510    HA   PRO  57            HA      PRO  57  -6.331  -9.289  -9.289
  511   1HB   PRO  57           HB2      PRO  57  -7.742 -10.811 -10.811
  512   2HB   PRO  57           HB1      PRO  57  -6.208 -11.302 -11.302
  513   1HG   PRO  57           HG2      PRO  57  -8.875 -12.330 -12.330
  514   2HG   PRO  57           HG1      PRO  57  -7.324 -12.982 -12.982
  515   1HD   PRO  57           HD2      PRO  57  -9.226 -11.464 -11.464
  516   2HD   PRO  57           HD1      PRO  57  -7.748 -12.283 -12.283
  517    H    HIS  58            HN      HIS  58  -7.656  -8.621  -8.621
  518    HA   HIS  58            HA      HIS  58 -10.199  -7.285  -7.285
  519   1HB   HIS  58           HB2      HIS  58  -7.976  -6.009  -6.009
  520   2HB   HIS  58           HB1      HIS  58  -8.761  -6.313  -6.313
  521    HD1  HIS  58           HD1      HIS  58 -10.966  -5.085  -5.085
  522    HD2  HIS  58           HD2      HIS  58  -9.422  -4.256  -4.256
  523    HE1  HIS  58           HE1      HIS  58 -12.326  -3.162  -3.162
  524    HA   PRO  59            HA      PRO  59 -11.109 -10.587 -10.587
  525   1HB   PRO  59           HB2      PRO  59 -13.458 -11.395 -11.395
  526   2HB   PRO  59           HB1      PRO  59 -11.864 -11.923 -11.923
  527   1HG   PRO  59           HG2      PRO  59 -13.751 -10.004 -10.004
  528   2HG   PRO  59           HG1      PRO  59 -12.461 -10.964 -10.964
  529   1HD   PRO  59           HD2      PRO  59 -12.361  -8.206  -8.206
  530   2HD   PRO  59           HD1      PRO  59 -11.031  -9.225  -9.225
  531    H    GLU  60            HN      GLU  60 -13.372 -11.293 -11.293
  532    HA   GLU  60            HA      GLU  60 -14.654  -8.875  -8.875
  533   1HB   GLU  60           HB2      GLU  60 -13.768 -11.334 -11.334
  534   2HB   GLU  60           HB1      GLU  60 -15.526 -11.457 -11.457
  535   1HG   GLU  60           HG2      GLU  60 -15.764  -9.554  -9.554
  536   2HG   GLU  60           HG1      GLU  60 -14.124  -8.998  -8.998
  537    H    PHE  61            HN      PHE  61 -17.102  -8.995  -8.995
  538    HA   PHE  61            HA      PHE  61 -18.236 -10.646 -10.646
  539   1HB   PHE  61           HB2      PHE  61 -18.619  -7.686  -7.686
  540   2HB   PHE  61           HB1      PHE  61 -19.742  -8.623  -8.623
  541    HD1  PHE  61           HD2      PHE  61 -18.081 -10.497 -10.497
  542    HD2  PHE  61           HD1      PHE  61 -17.270  -6.408  -6.408
  543    HE1  PHE  61           HE2      PHE  61 -16.539 -10.327 -10.327
  544    HE2  PHE  61           HE1      PHE  61 -15.737  -6.243  -6.243
  545    HZ   PHE  61            HZ      PHE  61 -15.371  -8.204  -8.204
  546    H    ILE  62            HN      ILE  62 -20.665  -8.647  -8.647
  547    HA   ILE  62            HA      ILE  62 -21.422  -9.907  -9.907
  548    HB   ILE  62            HB      ILE  62 -21.602 -12.015 -12.015
  549   1HG1  ILE  62          HG12      ILE  62 -24.043 -12.484 -12.484
  550   2HG1  ILE  62          HG11      ILE  62 -24.367 -10.753 -10.753
  551   1HG2  ILE  62          HG21      ILE  62 -22.306 -10.344 -10.344
  552   2HG2  ILE  62          HG23      ILE  62 -23.294 -11.802 -11.802
  553   3HG2  ILE  62          HG22      ILE  62 -21.538 -11.931 -11.931
  554   1HD1  ILE  62          HD12      ILE  62 -23.216 -10.637 -10.637
  555   2HD1  ILE  62          HD11      ILE  62 -22.979 -12.383 -12.383
  556   3HD1  ILE  62          HD13      ILE  62 -24.609 -11.720 -11.720
  557    H    VAL  63            HN      VAL  63 -22.349  -8.022  -8.022
  558    HA   VAL  63            HA      VAL  63 -23.629  -6.121  -6.121
  559    HB   VAL  63            HB      VAL  63 -24.259  -6.688  -6.688
  560   1HG1  VAL  63          HG12      VAL  63 -24.802  -4.451  -4.451
  561   2HG1  VAL  63          HG11      VAL  63 -24.322  -4.004  -4.004
  562   3HG1  VAL  63          HG13      VAL  63 -25.749  -5.009  -5.009
  563   1HG2  VAL  63          HG21      VAL  63 -21.946  -5.323  -5.323
  564   2HG2  VAL  63          HG23      VAL  63 -21.914  -6.491  -6.491
  565   3HG2  VAL  63          HG22      VAL  63 -22.441  -4.835  -4.835
  566    H    THR  64            HN      THR  64 -25.813  -5.570  -5.570
  567    HA   THR  64            HA      THR  64 -27.860  -7.656  -7.656
  568    HB   THR  64            HB      THR  64 -27.692  -6.247  -6.247
  569    HG1  THR  64           HG1      THR  64 -26.403  -7.747  -7.747
  570   1HG2  THR  64          HG21      THR  64 -29.474  -8.265  -8.265
  571   2HG2  THR  64          HG23      THR  64 -29.176  -8.406  -8.406
  572   3HG2  THR  64          HG22      THR  64 -29.880  -6.929  -6.929
  573    H    ASP  65            HN      ASP  65 -27.461  -4.435  -4.435
  574    HA   ASP  65            HA      ASP  65 -29.382  -3.323  -3.323
  575   1HB   ASP  65           HB2      ASP  65 -30.616  -4.028  -4.028
  576   2HB   ASP  65           HB1      ASP  65 -29.699  -2.775  -2.775
  577   1H    SER   1           HT2      SER   1  -8.100 -21.611 -21.611
  578   2H    SER   1           HT1      SER   1  -8.275 -21.662 -21.662
  579   3H    SER   1           HT3      SER   1  -9.292 -22.595 -22.595
  580    HA   SER   1            HA      SER   1 -10.604 -20.864 -20.864
  581   1HB   SER   1           HB2      SER   1 -10.629 -21.100 -21.100
  582   2HB   SER   1           HB1      SER   1  -9.415 -19.826 -19.826
  583    HG   SER   1            HG      SER   1 -10.870 -18.375 -18.375
  584    HA   PRO   2            HA      PRO   2  -7.897 -17.843 -17.843
  585   1HB   PRO   2           HB2      PRO   2  -9.735 -16.790 -16.790
  586   2HB   PRO   2           HB1      PRO   2  -8.846 -18.295 -18.295
  587   1HG   PRO   2           HG2      PRO   2 -11.698 -17.919 -17.919
  588   2HG   PRO   2           HG1      PRO   2 -10.915 -19.291 -19.291
  589   1HD   PRO   2           HD2      PRO   2 -11.693 -19.124 -19.124
  590   2HD   PRO   2           HD1      PRO   2 -10.732 -20.414 -20.414
  591    H    LEU   3            HN      LEU   3  -7.406 -15.873 -15.873
  592    HA   LEU   3            HA      LEU   3  -9.490 -13.863 -13.863
  593   1HB   LEU   3           HB2      LEU   3  -8.217 -13.228 -13.228
  594   2HB   LEU   3           HB1      LEU   3  -9.317 -14.598 -14.598
  595    HG   LEU   3            HG      LEU   3  -6.761 -15.615 -15.615
  596   1HD1  LEU   3          HD12      LEU   3  -6.641 -13.492 -13.492
  597   2HD1  LEU   3          HD11      LEU   3  -5.661 -14.942 -14.942
  598   3HD1  LEU   3          HD13      LEU   3  -5.447 -13.945 -13.945
  599   1HD2  LEU   3          HD21      LEU   3  -8.768 -16.008 -16.008
  600   2HD2  LEU   3          HD23      LEU   3  -7.736 -17.194 -17.194
  601   3HD2  LEU   3          HD22      LEU   3  -7.133 -16.297 -16.297
  602    H    LEU   4            HN      LEU   4  -8.134 -11.709 -11.709
  603    HA   LEU   4            HA      LEU   4  -5.457 -11.623 -11.623
  604   1HB   LEU   4           HB2      LEU   4  -6.200  -9.925  -9.925
  605   2HB   LEU   4           HB1      LEU   4  -6.572 -11.617 -11.617
  606    HG   LEU   4            HG      LEU   4  -8.719 -10.330 -10.330
  607   1HD1  LEU   4          HD11      LEU   4  -7.510  -8.777  -8.777
  608   2HD1  LEU   4          HD13      LEU   4  -9.152  -9.240  -9.240
  609   3HD1  LEU   4          HD12      LEU   4  -8.860  -8.358  -8.358
  610   1HD2  LEU   4          HD21      LEU   4  -8.461 -11.795 -11.795
  611   2HD2  LEU   4          HD23      LEU   4  -9.094 -12.424 -12.424
  612   3HD2  LEU   4          HD22      LEU   4 -10.011 -11.219 -11.219
  613    HA   PRO   5            HA      PRO   5  -6.313  -8.381  -8.381
  614   1HB   PRO   5           HB2      PRO   5  -3.964  -8.666  -8.666
  615   2HB   PRO   5           HB1      PRO   5  -5.396  -9.679  -9.679
  616   1HG   PRO   5           HG2      PRO   5  -2.833 -10.412 -10.412
  617   2HG   PRO   5           HG1      PRO   5  -4.083 -11.465 -11.465
  618   1HD   PRO   5           HD2      PRO   5  -3.649 -10.847 -10.847
  619   2HD   PRO   5           HD1      PRO   5  -4.918 -11.870 -11.870
  620    H    LYS   6            HN      LYS   6  -2.982  -8.822  -8.822
  621    HA   LYS   6            HA      LYS   6  -2.983  -6.047  -6.047
  622   1HB   LYS   6           HB2      LYS   6  -1.813  -6.812  -6.812
  623   2HB   LYS   6           HB1      LYS   6  -0.568  -6.207  -6.207
  624   1HG   LYS   6           HG2      LYS   6  -2.336  -4.311  -4.311
  625   2HG   LYS   6           HG1      LYS   6  -2.968  -4.774  -4.774
  626   1HD   LYS   6           HD2      LYS   6  -0.953  -4.179  -4.179
  627   2HD   LYS   6           HD1      LYS   6  -0.015  -4.287  -4.287
  628   1HE   LYS   6           HE2      LYS   6  -1.769  -2.337  -2.337
  629   2HE   LYS   6           HE1      LYS   6  -1.649  -2.018  -2.018
  630   1HZ   LYS   6           HZ2      LYS   6   0.639  -2.272  -2.272
  631   2HZ   LYS   6           HZ1      LYS   6   0.047  -0.814  -0.814
  632   3HZ   LYS   6           HZ3      LYS   6   0.763  -1.963  -1.963
  633    H    LEU   7            HN      LEU   7  -0.749  -5.542  -5.542
  634    HA   LEU   7            HA      LEU   7   0.150  -7.871  -7.871
  635   1HB   LEU   7           HB2      LEU   7   0.236  -4.880  -4.880
  636   2HB   LEU   7           HB1      LEU   7   1.534  -5.790  -5.790
  637    HG   LEU   7            HG      LEU   7  -0.428  -5.322  -5.322
  638   1HD1  LEU   7          HD11      LEU   7   1.123  -7.225  -7.225
  639   2HD1  LEU   7          HD13      LEU   7   0.052  -8.262  -8.262
  640   3HD1  LEU   7          HD12      LEU   7  -0.511  -7.554  -7.554
  641   1HD2  LEU   7          HD21      LEU   7  -2.036  -5.922  -5.922
  642   2HD2  LEU   7          HD23      LEU   7  -2.561  -6.098  -6.098
  643   3HD2  LEU   7          HD22      LEU   7  -1.990  -7.505  -7.505
  644    HA   PRO   8            HA      PRO   8   3.947  -8.095  -8.095
  645   1HB   PRO   8           HB2      PRO   8   5.857  -8.436  -8.436
  646   2HB   PRO   8           HB1      PRO   8   4.791  -9.715  -9.715
  647   1HG   PRO   8           HG2      PRO   8   4.645  -8.205  -8.205
  648   2HG   PRO   8           HG1      PRO   8   4.073  -9.834  -9.834
  649   1HD   PRO   8           HD2      PRO   8   2.442  -7.555  -7.555
  650   2HD   PRO   8           HD1      PRO   8   1.990  -9.088  -9.088
  651    HA   PRO   9            HA      PRO   9   4.809  -3.690  -3.690
  652   1HB   PRO   9           HB2      PRO   9   5.946  -3.389  -3.389
  653   2HB   PRO   9           HB1      PRO   9   4.203  -3.437  -3.437
  654   1HG   PRO   9           HG2      PRO   9   5.948  -5.520  -5.520
  655   2HG   PRO   9           HG1      PRO   9   4.206  -5.269  -5.269
  656   1HD   PRO   9           HD2      PRO   9   5.458  -7.212  -7.212
  657   2HD   PRO   9           HD1      PRO   9   3.738  -6.773  -6.773
  658    H    LYS  10            HN      LYS  10   6.824  -2.243  -2.243
  659    HA   LYS  10            HA      LYS  10   9.129  -3.280  -3.280
  660   1HB   LYS  10           HB2      LYS  10   9.998  -1.030  -1.030
  661   2HB   LYS  10           HB1      LYS  10   8.282  -0.906  -0.906
  662   1HG   LYS  10           HG2      LYS  10   8.015  -0.737  -0.737
  663   2HG   LYS  10           HG1      LYS  10   9.724  -0.300  -0.300
  664   1HD   LYS  10           HD2      LYS  10   8.928   1.366   1.366
  665   2HD   LYS  10           HD1      LYS  10   7.367   1.194   1.194
  666   1HE   LYS  10           HE2      LYS  10   8.243   1.998   1.998
  667   2HE   LYS  10           HE1      LYS  10   9.903   1.876   1.876
  668   1HZ   LYS  10           HZ1      LYS  10   9.148   3.521   3.521
  669   2HZ   LYS  10           HZ3      LYS  10   7.823   3.819   3.819
  670   3HZ   LYS  10           HZ2      LYS  10   9.401   4.110   4.110
  671    H    THR  11            HN      THR  11  11.312  -3.216  -3.216
  672    HA   THR  11            HA      THR  11  11.501  -3.307  -3.307
  673    HB   THR  11            HB      THR  11  12.804  -5.411  -5.411
  674    HG1  THR  11           HG1      THR  11  10.199  -5.296  -5.296
  675   1HG2  THR  11          HG21      THR  11  12.334  -5.045  -5.045
  676   2HG2  THR  11          HG23      THR  11  12.850  -6.578  -6.578
  677   3HG2  THR  11          HG22      THR  11  13.873  -5.152  -5.152
  678    H    TYR  12            HN      TYR  12  13.853  -3.154  -3.154
  679    HA   TYR  12            HA      TYR  12  15.128  -1.028  -1.028
  680   1HB   TYR  12           HB2      TYR  12  15.403  -1.999  -1.999
  681   2HB   TYR  12           HB1      TYR  12  16.785  -2.783  -2.783
  682    HD1  TYR  12           HD1      TYR  12  18.071  -1.095  -1.095
  683    HD2  TYR  12           HD2      TYR  12  15.866   0.052   0.052
  684    HE1  TYR  12           HE1      TYR  12  19.358   1.008   1.008
  685    HE2  TYR  12           HE2      TYR  12  17.178   2.151   2.151
  686    HH   TYR  12            HH      TYR  12  19.936   2.681   2.681
  687    H    LYS  13            HN      LYS  13  15.459  -1.636  -1.636
  688    HA   LYS  13            HA      LYS  13  17.631  -3.643  -3.643
  689   1HB   LYS  13           HB2      LYS  13  15.343  -4.512  -4.512
  690   2HB   LYS  13           HB1      LYS  13  15.255  -3.219  -3.219
  691   1HG   LYS  13           HG2      LYS  13  16.817  -4.200  -4.200
  692   2HG   LYS  13           HG1      LYS  13  17.717  -4.902  -4.902
  693   1HD   LYS  13           HD2      LYS  13  14.987  -5.987  -5.987
  694   2HD   LYS  13           HD1      LYS  13  16.044  -6.317  -6.317
  695   1HE   LYS  13           HE2      LYS  13  16.496  -8.123  -8.123
  696   2HE   LYS  13           HE1      LYS  13  17.786  -6.997  -6.997
  697   1HZ   LYS  13           HZ3      LYS  13  15.310  -6.712  -6.712
  698   2HZ   LYS  13           HZ2      LYS  13  16.209  -8.121  -8.121
  699   3HZ   LYS  13           HZ1      LYS  13  16.920  -6.594  -6.594
  700    H    ARG  14            HN      ARG  14  15.820  -0.908  -0.908
  701    HA   ARG  14            HA      ARG  14  18.232  -0.171  -0.171
  702   1HB   ARG  14           HB2      ARG  14  15.955  -0.502  -0.502
  703   2HB   ARG  14           HB1      ARG  14  15.412   0.927   0.927
  704   1HG   ARG  14           HG2      ARG  14  16.655   2.357   2.357
  705   2HG   ARG  14           HG1      ARG  14  17.948   1.183   1.183
  706   1HD   ARG  14           HD2      ARG  14  15.307   0.520   0.520
  707   2HD   ARG  14           HD1      ARG  14  16.210   1.842   1.842
  708    HE   ARG  14            HE      ARG  14  17.972  -0.383  -0.383
  709   1HH1  ARG  14          HH11      ARG  14  17.902   1.078   1.078
  710   2HH1  ARG  14          HH12      ARG  14  17.156  -0.052  -0.052
  711   1HH2  ARG  14          HH21      ARG  14  15.868  -2.035  -2.035
  712   2HH2  ARG  14          HH22      ARG  14  15.996  -1.820  -1.820
  713    H    GLU  15            HN      GLU  15  15.612   1.443   1.443
  714    HA   GLU  15            HA      GLU  15  17.273   3.814   3.814
  715   1HB   GLU  15           HB2      GLU  15  14.559   3.426   3.426
  716   2HB   GLU  15           HB1      GLU  15  14.775   3.518   3.518
  717   1HG   GLU  15           HG2      GLU  15  16.182   5.616   5.616
  718   2HG   GLU  15           HG1      GLU  15  15.490   5.575   5.575