*HEADER    MEMBRANE PROTEIN                        21-OCT-03   1R7D              
*TITLE     NMR STRUCTURE OF THE MEMBRANE ANCHOR DOMAIN (1-31) OF THE             
*TITLE    2 NONSTRUCTURAL PROTEIN 5A (NS5A) OF HEPATITIS C VIRUS                 
*TITLE    3 (ENSEMBLE OF 51 STRUCTURES, SAMPLE IN 50% TFE)                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENOME POLYPROTEIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NONSTRUCTURAL PROTEIN NS5A (P56)(RESIDUES 1973-            
*COMPND   5 2003 OF SWISS-PROT SEQUENCE P27958);                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE IS NATURALLY FOUND IN HEPATITIS C VIRUS.                    
*KEYWDS    MEMBRANE ANCHOR DOMAIN, HCV NS5A PROTEIN, NMR STRUCTURE,              
*KEYWDS   2 PEPTIDE.                                                             
*EXPDTA    NMR, 51 STRUCTURES                                                    
*AUTHOR    F.PENIN, V.BRASS, N.APPEL, S.RAMBOARINA, R.MONTSERRET,                
*AUTHOR   2 D.FICHEUX, H.E.BLUM, R.BARTENSCHLAGER, D.MORADPOUR                   
*REVDAT   1   10-AUG-04 1R7D    0                                                

!
! NS5A Nter TFE 50%
!
! GLY 2
assign (resid 2 and name HN        )(resid 1 and name HA  )  5.0 3.2 0.5
!
! SER 3
!
assign (resid 3 and name HN        )(resid 3 and name HA  )  2.8 1   0.28
assign (resid 3 and name HN        )(resid 3 and name HB1 )  2.8 1   0.28
assign (resid 3 and name HN        )(resid 3 and name HB2 )  3.9 2.1 0.39
assign (resid 3 and name HA        )(resid 3 and name HB1 )  3.9 2.1 0.39
assign (resid 3 and name HA        )(resid 3 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 3 and name HN        )(resid 2 and name HN  )  5.0 3.2 0.5
!
! TRP 4
!
assign (resid 4 and name HN        )(resid 4 and name HA  )  2.8 1   0.28
assign (resid 4 and name HN        )(resid 4 and name HB1 )  2.8 1   0.28
assign (resid 4 and name HN        )(resid 4 and name HB2 )  2.8 1   0.28
assign (resid 4 and name HA        )(resid 4 and name HB1 )  2.8 1   0.28
assign (resid 4 and name HA        )(resid 4 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 4 and name HN        )(resid 3 and name HA  )  2.8 1   0.28
assign (resid 4 and name HA        )(resid 7 and name HB1 )  3.9 2.1 0.39
assign (resid 4 and name HA        )(resid 7 and name HB2 )  5.0 3.2 0.5
!
assign (resid 4 and name HA        )(resid 4 and name HE3 )  5.0 3.2 0.5
assign (resid 4 and name HB1       )(resid 4 and name HE3 )  2.8 1   0.28
assign (resid 4 and name HB2       )(resid 4 and name HE3 )  3.9 2.1 0.39
assign (resid 4 and name HN        )(resid 4 and name HD1 )  5.0 3.2 0.5
assign (resid 4 and name HB1       )(resid 4 and name HD1 )  3.9 2.1 0.39
assign (resid 4 and name HB2       )(resid 4 and name HD1 )  2.8 1   0.28
!
assign (resid 4 and name HE3       )(resid 8 and name HD1#)  2.8 1   1.28
assign (resid 4 and name HE3       )(resid 8 and name HG12)  5.0 3.2 0.5
!
! LEU 5
!
assign (resid 5 and name HN        )(resid 5 and name HA  )  2.8 1   0.28
assign (resid 5 and name HN        )(resid 5 and name HB1 )  3.9 2.1 0.39
assign (resid 5 and name HN        )(resid 5 and name HB2 )  5.0 3.2 0.5
assign (resid 5 and name HA        )(resid 5 and name HB1 )  2.8 1   0.28
assign (resid 5 and name HA        )(resid 5 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 5 and name HN        )(resid 4 and name HN  )  3.9 2.1 0.39
assign (resid 5 and name HN        )(resid 4 and name HA  )  5.0 3.2 0.5
assign (resid 5 and name HN        )(resid 4 and name HB1 )  5.0 3.2 0.5
assign (resid 5 and name HN        )(resid 4 and name HB2 )  3.9 2.1 0.39
assign (resid 5 and name HA        )(resid 8 and name HB  )  2.8 1   0.28
!
! ARG 6
!
assign (resid 6 and name HN        )(resid 6 and name HA  )  2.8 1   0.28
assign (resid 6 and name HN        )(resid 6 and name HB1 )  2.8 1   0.28
assign (resid 6 and name HN        )(resid 6 and name HB2 )  2.8 1   0.28
assign (resid 6 and name HN        )(resid 6 and name HG# )  3.9 2.1 1.39
assign (resid 6 and name HA        )(resid 6 and name HB1 )  3.9 2.1 0.39
assign (resid 6 and name HA        )(resid 6 and name HB2 )  2.8 1   0.28
!!
assign (resid 6 and name HN        )(resid 5 and name HA  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 5 and name HB1 )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 5 and name HB2 )  5.0 3.2 0.5
assign (resid 6 and name HN        )(resid 3 and name HA  )  5.0 3.2 0.5
assign (resid 6 and name HA        )(resid 9 and name HB# )  2.8 1 1.28
!
! ASP 7
!
assign (resid 7 and name HN        )(resid 7 and name HA  )  2.8 1   0.28
assign (resid 7 and name HN        )(resid 7 and name HB1 )  2.8 1   0.28
assign (resid 7 and name HN        )(resid 7 and name HB2 )  3.9 2.1 0.39
assign (resid 7 and name HA        )(resid 7 and name HB1 )  3.9 2.1 0.39
assign (resid 7 and name HA        )(resid 7 and name HB2 )  5.0 3.2 0.5
!!
assign (resid 7 and name HN        )(resid 6 and name HN  )  2.8 1 0.28
assign (resid 7 and name HN        )(resid 6 and name HA  )  3.9 2.1 0.39
assign (resid 7 and name HN        )(resid 6 and name HB1 )  2.8 1 0.28
assign (resid 7 and name HN        )(resid 6 and name HB2 )  5.0 3.2 0.5
assign (resid 7 and name HN        )(resid 4 and name HA  )  5.0 3.2 0.5
assign (resid 7 and name HA        )(resid 10 and name HB1 )  3.9 2.1 0.39
assign (resid 7 and name HA        )(resid 10 and name HB2 )  5.0 3.2 0.5
!
! ILE 8
!
assign (resid 8 and name HN        )(resid 8 and name HA  )  2.8 1   0.28
assign (resid 8 and name HN        )(resid 8 and name HB  )  2.8 1   0.28
!!
assign (resid 8 and name HN        )(resid 5 and name HA  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 11 and name HB1 )  2.8 1   0.28
assign (resid 8 and name HA        )(resid 11 and name HB2 )  3.9 2.1 0.39
assign (resid 8 and name HG2#      )(resid 12 and name HB  )  3.9 2.1 1.39
!
assign (resid 11 and name HE3       )(resid 8 and name HA  )  5.0 3.2 0.5
assign (resid 11 and name HE3       )(resid 8 and name HG2#)  5.0 3.2 1.5
!
! TRP 9
!
assign (resid 9 and name HN        )(resid 9 and name HA  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 9 and name HB# )  2.8 1   1.28
!!
assign (resid 9 and name HN        )(resid 8 and name HN  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 8 and name HA  )  5.0 3.2 0.5
assign (resid 9 and name HN        )(resid 8 and name HB  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 8 and name HG2#)  5.0 3.2 1.5
assign (resid 9 and name HN        )(resid 6 and name HA  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 5 and name HA  )  5.0 3.2 0.5
assign (resid 9 and name HA        )(resid 12 and name HB  )  2.8 1   0.28
!
assign (resid 9 and name HA        )(resid 9 and name HE3 )  2.8 1   0.28
assign (resid 9 and name HB#       )(resid 9 and name HE3 )  2.8 1   1.28
assign (resid 9 and name HB#       )(resid 9 and name HD1 )  2.8 1   1.28
!
assign (resid 9 and name HE3       )(resid 12 and name HG2#)  3.9 2.1 1.39
assign (resid 9 and name HE3       )(resid 12 and name HD1#)  2.8 1   1.28
!
! ASP 10
!
assign (resid 10 and name HN        )(resid 10 and name HA  )  2.8 1   0.28
assign (resid 10 and name HN        )(resid 10 and name HB1 )  2.8 1   0.28
assign (resid 10 and name HN        )(resid 10 and name HB2 )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 10 and name HB1 )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 10 and name HB2 )  2.8 1   0.28
!!
assign (resid 10 and name HN        )(resid  9 and name HN  )  2.8 1   0.28
assign (resid 10 and name HN        )(resid  9 and name HA  )  3.9 2.1 0.39
assign (resid 10 and name HN        )(resid  9 and name HB# )  2.8 1   1.28
assign (resid 10 and name HA        )(resid 13 and name HB1 )  2.8 1   0.28
assign (resid 10 and name HA        )(resid 13 and name HB2 )  3.9 2.1 0.39
!
! TRP 11
!
assign (resid 11 and name HN        )(resid 11 and name HA  )  2.8 1   0.28
assign (resid 11 and name HN        )(resid 11 and name HB1 )  2.8 1   0.28
assign (resid 11 and name HN        )(resid 11 and name HB2 )  2.8 1   0.28
assign (resid 11 and name HA        )(resid 11 and name HB1 )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 11 and name HB2 )  2.8 1   0.28
!!
assign (resid 11 and name HN        )(resid 10 and name HN  )  3.9 2.1 0.39
assign (resid 11 and name HN        )(resid 10 and name HA  )  5.0 3.2 0.5
assign (resid 11 and name HN        )(resid 10 and name HB1 )  3.9 2.1 0.39
assign (resid 11 and name HN        )(resid 10 and name HB2 )  5.0 3.2 0.5
assign (resid 11 and name HN        )(resid  8 and name HA  )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 14 and name HB1 )  5.0 3.2 0.5
assign (resid 11 and name HA        )(resid 14 and name HB2 )  3.9 2.1 0.39
!
assign (resid 11 and name HA        )(resid 11 and name HE3 )  5.0 3.2 0.5
assign (resid 11 and name HB1       )(resid 11 and name HE3 )  3.9 2.1 0.39
assign (resid 11 and name HB2       )(resid 11 and name HE3 )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 11 and name HD1 )  3.9 2.1 0.39
assign (resid 11 and name HB1       )(resid 11 and name HD1 )  3.9 2.1 0.39
assign (resid 11 and name HB2       )(resid 11 and name HD1 )  2.8 1   0.28
!
assign (resid 11 and name HE3       )(resid 12 and name HG12)  5.0 3.2 0.5
assign (resid 11 and name HE3       )(resid 12 and name HG2#)  5.0 3.2 1.5
assign (resid 11 and name HE3       )(resid 12 and name HD1#)  3.9 2.1 1.39
assign (resid 11 and name HE3       )(resid 15 and name HG2#)  5.0 3.2 1.5
assign (resid 11 and name HD1       )(resid 15 and name HG2#)  3.9 2.1 1.39
assign (resid 11 and name HZ2       )(resid 15 and name HG2#)  3.9 2.1 1.39
assign (resid 11 and name HE1       )(resid 15 and name HG2#)  3.9 2.1 1.39
!
! ILE 12
!
assign (resid 12 and name HN        )(resid 12 and name HA  )  2.8 1   0.28
assign (resid 12 and name HN        )(resid 12 and name HB  )  2.8 1   0.28
assign (resid 12 and name HN        )(resid 12 and name HG2#)  3.9 2.1 1.39
assign (resid 12 and name HN        )(resid 12 and name HD1#)  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 12 and name HB  )  2.8 1   0.28
!!
assign (resid 12 and name HN        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid 11 and name HA  )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid 11 and name HB1 )  5.0 3.2 0.5
assign (resid 12 and name HN        )(resid 11 and name HB2 )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid  9 and name HA  )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid  8 and name HA  )  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 15 and name HB  )  2.8 1   0.28
assign (resid 12 and name HA        )(resid 15 and name HG1#)  3.9 2.1 1.39
assign (resid 12 and name HA        )(resid 15 and name HG2#)  2.8 1   1.28
!
! CYS 13
!
assign (resid 13 and name HN        )(resid 13 and name HA  )  2.8 1   0.28
assign (resid 13 and name HN        )(resid 13 and name HB1 )  2.8 1   0.28
assign (resid 13 and name HN        )(resid 13 and name HB2 )  3.9 2.1 0.39
assign (resid 13 and name HN        )(resid 13 and name HG  )  5.0 3.2 0.5
assign (resid 13 and name HA        )(resid 13 and name HB1 )  2.8 1   0.28
assign (resid 13 and name HA        )(resid 13 and name HB2 )  2.8 1   0.28
!
assign (resid 13 and name HN        )(resid 12 and name HN  )  2.8 1   0.28
assign (resid 13 and name HN        )(resid 12 and name HA  )  3.9 2.1 0.39
assign (resid 13 and name HN        )(resid 12 and name HB  )  2.8 1   0.28
assign (resid 13 and name HN        )(resid 12 and name HG2#)  5.0 3.2 0.5
assign (resid 13 and name HN        )(resid 11 and name HN  )  5.0 3.2 0.5
assign (resid 13 and name HN        )(resid 10 and name HA  )  3.9 2.1 0.39
assign (resid 13 and name HA        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 13 and name HA        )(resid 16 and name HB2 )  3.9 2.1 0.39
!
! GLU 14
!
assign (resid 14 and name HN        )(resid 14 and name HA  )  2.8 1   0.28
assign (resid 14 and name HN        )(resid 14 and name HB1 )  2.8 1   0.28
assign (resid 14 and name HN        )(resid 14 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 14 and name HN        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 13 and name HA  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 13 and name HB1 )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 13 and name HB2 )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 11 and name HA  )  2.8 1   0.28
assign (resid 14 and name HN        )(resid 15 and name HG2#)  5.0 3.2 1.5
!
! VAL 15
!
assign (resid 15 and name HN        )(resid 15 and name HA  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 15 and name HB  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 15 and name HG1#)  3.9 2.1 1.39
assign (resid 15 and name HN        )(resid 15 and name HG2#)  2.8 1   1.28
assign (resid 15 and name HA        )(resid 15 and name HB  )  2.8 1   0.28
!!
assign (resid 15 and name HN        )(resid 14 and name HN  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 14 and name HA  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 14 and name HB1 )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 14 and name HB2 )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 13 and name HN  )  5.0 3.2 0.5
assign (resid 15 and name HN        )(resid 12 and name HA  )  3.9 2.1 0.39
assign (resid 15 and name HN        )(resid 11 and name HA  )  5.0 3.2 0.5
assign (resid 15 and name HA        )(resid 18 and name HB1 )  2.8 1   0.28
assign (resid 15 and name HA        )(resid 18 and name HB2 )  3.9 2.1 0.39
!
! LEU 16
!
assign (resid 16 and name HN        )(resid 16 and name HA  )  2.8 1   0.28
assign (resid 16 and name HN        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 16 and name HN        )(resid 16 and name HB2 )  3.9 2.1 0.39
assign (resid 16 and name HA        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 16 and name HA        )(resid 16 and name HB2 )  2.8 1   0.28
!!
assign (resid 16 and name HN        )(resid 15 and name HN  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 15 and name HA  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 15 and name HB  )  2.8 1   0.28
assign (resid 16 and name HN        )(resid 15 and name HG1#)  3.9 2.1 1.39
assign (resid 16 and name HN        )(resid 15 and name HG2#)  5.0 3.2 1.5
assign (resid 16 and name HN        )(resid 14 and name HA  )  5.0 3.2 0.5
assign (resid 16 and name HN        )(resid 13 and name HA  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 12 and name HA  )  5.0 3.2 0.5
assign (resid 16 and name HA        )(resid 19 and name HB1 )  3.9 2.1 0.39
assign (resid 16 and name HA        )(resid 19 and name HB2 )  2.8 1   0.28
!
! SER 17
!
assign (resid 17 and name HN        )(resid 17 and name HA  )  2.8 1   0.28
assign (resid 17 and name HN        )(resid 17 and name HB1 )  3.9 2.1 0.39
assign (resid 17 and name HN        )(resid 17 and name HB2 )  3.9 2.1 0.39
assign (resid 17 and name HA        )(resid 17 and name HB1 )  2.8 1   0.28
assign (resid 17 and name HA        )(resid 17 and name HB2 )  2.8 1   0.28
!!
assign (resid 17 and name HN        )(resid 16 and name HN  )  2.8 1   0.28
assign (resid 17 and name HN        )(resid 16 and name HA  )  3.9 2.1 0.39
assign (resid 17 and name HN        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 17 and name HN        )(resid 16 and name HB2 )  3.9 2.1 0.39
!
assign (resid 17 and name HN        )(resid 16 and name HD* )  3.9 2.1 2.39
assign (resid 17 and name HN        )(resid 15 and name HN  )  5.0 3.2 0.5
assign (resid 17 and name HN        )(resid 13 and name HA  )  5.0 3.2 0.5
assign (resid 17 and name HA        )(resid 20 and name HB1 )  3.9 2.1 0.39
assign (resid 17 and name HA        )(resid 20 and name HB2 )  5.0 3.2 0.5
!
! ASP 18
!
assign (resid 18 and name HN        )(resid 18 and name HA  )  2.8 1   0.28
assign (resid 18 and name HN        )(resid 18 and name HB1 )  2.8 1   0.28
assign (resid 18 and name HN        )(resid 18 and name HB2 )  3.9 2.1 0.39
assign (resid 18 and name HA        )(resid 18 and name HB1 )  3.9 2.1 0.39
assign (resid 18 and name HA        )(resid 18 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 18 and name HN        )(resid 17 and name HN  )  2.8 1   0.28
assign (resid 18 and name HN        )(resid 17 and name HA  )  3.9 2.1 0.39
assign (resid 18 and name HN        )(resid 17 and name HB1 )  3.9 2.1 0.39
assign (resid 18 and name HN        )(resid 17 and name HB2 )  5.0 3.2 0.5
assign (resid 18 and name HN        )(resid 16 and name HN  )  5.0 3.2 0.5
assign (resid 18 and name HN        )(resid 15 and name HA  )  3.9 2.1 0.39
!
assign (resid 18 and name HA        )(resid 21 and name HB  )  3.9 2.1 0.39
!
! PHE 19
!
assign (resid 19 and name HN        )(resid 19 and name HA  )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 19 and name HB1 )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 19 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 19 and name HN        )(resid 18 and name HN  )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 18 and name HA  )  3.9 2.1 0.39
assign (resid 19 and name HN        )(resid 18 and name HB1 )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 18 and name HB2 )  5.0 3.2 0.5
assign (resid 19 and name HN        )(resid 17 and name HN  )  5.0 3.2 0.5
assign (resid 19 and name HN        )(resid 16 and name HA  )  3.9 2.1 0.39
assign (resid 19 and name HN        )(resid 15 and name HA  )  5.0 3.2 0.5
assign (resid 19 and name HA        )(resid 22 and name HB1 )  5.0 3.2 0.5
assign (resid 19 and name HA        )(resid 22 and name HB2 )  3.9 2.1 0.39
!
assign (resid 19 and name HA        )(resid 19 and name HD* )  2.8 1 2.28
!
assign (resid 19 and name HA        )(resid 22 and name HE3 )  5.0 3.2 0.5
assign (resid 19 and name HD*       )(resid 23 and name HD1#)  5.0 3.2 3.5
assign (resid 19 and name HD*       )(resid 23 and name HD2#)  5.0 3.2 3.5
assign (resid 19 and name HE*       )(resid 23 and name HD1#)  2.8 1   3.28
assign (resid 19 and name HE*       )(resid 23 and name HD2#)  3.9 2.1 3.39
!
! LYS 20
!
assign (resid 20 and name HN        )(resid 20 and name HA  )  2.8 1   0.28
assign (resid 20 and name HN        )(resid 20 and name HB1 )  3.9 2.1 0.39
assign (resid 20 and name HN        )(resid 20 and name HB2 )  2.8 1   0.28
assign (resid 20 and name HA        )(resid 20 and name HB1 )  2.8 1   0.28
!!
assign (resid 20 and name HN        )(resid 19 and name HN  )  2.8 1   0.28
assign (resid 20 and name HN        )(resid 19 and name HA  )  5.0 3.2 0.5
assign (resid 20 and name HN        )(resid 19 and name HB1 )  3.9 2.1 0.39
assign (resid 20 and name HN        )(resid 19 and name HB2 )  2.8 1   0.28
assign (resid 20 and name HN        )(resid 18 and name HN  )  5.0 3.2 0.5
assign (resid 20 and name HN        )(resid 18 and name HA  )  5.0 3.2 0.5
assign (resid 20 and name HN        )(resid 17 and name HA  )  3.9 2.1 0.39
assign (resid 20 and name HN        )(resid 16 and name HA  )  5.0 3.2 0.5
assign (resid 20 and name HA        )(resid 23 and name HB# )  2.8 1   1.28
!
! THR 21
!
assign (resid 21 and name HN        )(resid 21 and name HA  )  2.8 1   0.28
assign (resid 21 and name HA        )(resid 21 and name HB  )  2.8 1   0.28
!!
assign (resid 21 and name HN        )(resid 20 and name HN  )  2.8 1   0.28
assign (resid 21 and name HN        )(resid 20 and name HB1 )  5.0 3.2 0.5
assign (resid 21 and name HN        )(resid 19 and name HN  )  5.0 3.2 0.5
assign (resid 21 and name HN        )(resid 18 and name HA  )  2.8 1   0.28
assign (resid 21 and name HN        )(resid 17 and name HA  )  5.0 3.2 0.5
assign (resid 21 and name HA        )(resid 24 and name HB# )  2.8 1   1.28
!
! TRP 22
!
assign (resid 22 and name HN        )(resid 22 and name HA  )  2.8 1   0.28
assign (resid 22 and name HN        )(resid 22 and name HB1 )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 22 and name HB2 )  2.8 1   0.28
assign (resid 22 and name HA        )(resid 22 and name HB1 )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 22 and name HB2 )  2.8 1   0.28
!
assign (resid 22 and name HN        )(resid 21 and name HN  )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 21 and name HA  )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 21 and name HG2#)  5.0 3.2 1.5
assign (resid 22 and name HA        )(resid 25 and name HB# )  2.8 1   1.28
!
assign (resid 22 and name HA        )(resid 22 and name HE3 )  5.0 3.2 0.5
assign (resid 22 and name HB1       )(resid 22 and name HE3 )  3.9 2.1 0.39
assign (resid 22 and name HB2       )(resid 22 and name HE3 )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 22 and name HD1 )  3.9 2.1 0.39
assign (resid 22 and name HB1       )(resid 22 and name HD1 )  5.0 3.2 0.5
assign (resid 22 and name HB2       )(resid 22 and name HD1 )  2.8 1   0.28
!
assign (resid 23 and name HA        )(resid 22 and name HE3 )  2.8 1   0.28
assign (resid 23 and name HD1#      )(resid 22 and name HE3 )  5.0 3.2 1.5
assign (resid 23 and name HD1#      )(resid 22 and name HZ3 )  5.0 3.2 1.5
assign (resid 23 and name HD2#      )(resid 22 and name HZ3 )  5.0 3.2 1.5
!
! LEU 23
!
assign (resid 23 and name HN        )(resid 23 and name HA  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 23 and name HB# )  2.8 1   1.28
!!
assign (resid 23 and name HN        )(resid 22 and name HN  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 22 and name HA  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 22 and name HB1 )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 22 and name HB2 )  2.8 1   0.28
assign (resid 23 and name HN        )(resid 20 and name HA  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 19 and name HA  )  5.0 3.2 0.5
assign (resid 23 and name HA        )(resid 26 and name HB# )  2.8 1   1.28
!
! LYS 24
!
assign (resid 24 and name HN        )(resid 24 and name HA  )  2.8 1   0.28
assign (resid 24 and name HN        )(resid 24 and name HB# )  2.8 1   1.28
!!
assign (resid 24 and name HN        )(resid 23 and name HN  )  3.9 2.1 0.39
assign (resid 24 and name HN        )(resid 23 and name HA  )  3.9 2.1 0.39
assign (resid 24 and name HN        )(resid 23 and name HB# )  2.8 1   1.28
assign (resid 24 and name HN        )(resid 22 and name HA  )  5.0 3.2 0.5
assign (resid 24 and name HN        )(resid 21 and name HA  )  2.8 1   0.28
!
! ALA 25
!
assign (resid 25 and name HN        )(resid 25 and name HA  )  2.8 1   0.28
assign (resid 25 and name HN        )(resid 25 and name HB# )  2.8 1   1.28
!!
assign (resid 25 and name HN        )(resid 24 and name HN  )  2.8 1   0.28
assign (resid 25 and name HN        )(resid 24 and name HA  )  3.9 2.1 0.39
assign (resid 25 and name HN        )(resid 24 and name HB# )  2.8 1   1.28
assign (resid 25 and name HN        )(resid 23 and name HN  )  5.0 3.2 0.5
assign (resid 25 and name HN        )(resid 23 and name HA  )  5.0 3.2 0.5
assign (resid 25 and name HN        )(resid 22 and name HA  )  3.9 2.1 0.39
!
assign (resid 25 and name HA        )(resid 28 and name HB# )  3.9 2.1 1.39
!
! LYS 26
!
assign (resid 26 and name HN        )(resid 26 and name HA  )  2.8 1   0.28
assign (resid 26 and name HN        )(resid 26 and name HB# )  2.8 1   1.28
assign (resid 26 and name HN        )(resid 26 and name HG1 )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 26 and name HG2 )  5.0 3.2 0.5
!!
assign (resid 26 and name HN        )(resid 25 and name HA  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 25 and name HB# )  2.8 1   1.28
assign (resid 26 and name HN        )(resid 24 and name HA  )  5.0 3.2 0.5
assign (resid 26 and name HN        )(resid 23 and name HA  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 22 and name HA  )  5.0 3.2 0.5
!
! LEU 27
!
assign (resid 27 and name HN        )(resid 27 and name HA  )  2.8 1   0.28
assign (resid 27 and name HN        )(resid 27 and name HB1 )  2.8 1   0.28
assign (resid 27 and name HN        )(resid 27 and name HB2 )  3.9 2.1 0.39
assign (resid 27 and name HN        )(resid 27 and name HD* )  5.0 3.2 2.5
assign (resid 27 and name HA        )(resid 27 and name HB1 )  2.8 1   0.28
assign (resid 27 and name HA        )(resid 27 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 27 and name HN        )(resid 26 and name HA  )  3.9 2.1 0.39
assign (resid 27 and name HN        )(resid 26 and name HB# )  2.8 1.0 1.28
assign (resid 27 and name HN        )(resid 25 and name HA  )  5.0 3.2 0.5
assign (resid 27 and name HN        )(resid 24 and name HA  )  3.9 2.1 0.39
assign (resid 27 and name HN        )(resid 23 and name HA  )  5.0 3.2 0.5
!
! MET 28
!
assign (resid 28 and name HN        )(resid 28 and name HB# )  2.8 1   1.28
!!
assign (resid 28 and name HN        )(resid 27 and name HA  )  3.9 2.1 0.39
assign (resid 28 and name HN        )(resid 27 and name HB1 )  3.9 2.1 0.39
assign (resid 28 and name HN        )(resid 27 and name HB2 )  3.9 2.1 0.39
!oui uoi
assign (resid 28 and name HA        )(resid 29 and name HD1 )  5.0 3.2 0.5
assign (resid 28 and name HA        )(resid 29 and name HD2 )  5.0 3.2 0.5
assign (resid 28 and name HA        )(resid 29 and name HG# )  5.0 3.2 1.5
assign (resid 28 and name HB#       )(resid 29 and name HD1 )  3.9 2.1 1.39
assign (resid 28 and name HB#       )(resid 29 and name HD2 )  3.9 2.1 1.39
!
! PRO 29
!
assign (resid 29 and name HA        )(resid 29 and name HB1  )  2.8 1 0.28
assign (resid 29 and name HA        )(resid 29 and name HB2  )  2.8 1 0.28
!
! GLN 30
!
assign (resid 30 and name HN        )(resid 30 and name HA  )  2.8 1   0.28
assign (resid 30 and name HN        )(resid 30 and name HB1 )  3.9 2.1 0.39
assign (resid 30 and name HN        )(resid 30 and name HB2 )  5.0 3.2 0.5
!!
assign (resid 30 and name HN        )(resid 29 and name HB1  )  2.8 1   0.28
assign (resid 30 and name HN        )(resid 29 and name HB2  )  2.8 1   0.28
!
! LEU 31
!
assign (resid 31 and name HN        )(resid 31 and name HA  )  2.8 1   0.28
assign (resid 31 and name HN        )(resid 31 and name HB# )  2.8 1   1.28
!


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1           HT1      SER   1 -22.233  10.831  -3.312
    2   2H    SER   1           HT2      SER   1 -22.590   9.708  -2.086
    3   3H    SER   1           HT3      SER   1 -23.495   9.718  -3.524
    4    HA   SER   1           HA       SER   1 -21.402   9.146  -4.756
    5   1HB   SER   1          HB2       SER   1 -19.673   8.164  -3.081
    6   2HB   SER   1          HB1       SER   1 -19.771   9.915  -3.222
    7    HG   SER   1           HG       SER   1 -19.792   9.100  -1.031
    8    H    GLY   2           HN       GLY   2 -20.874   6.793  -5.009
    9   1HA   GLY   2          HA2       GLY   2 -23.099   5.115  -3.975
   10   2HA   GLY   2          HA1       GLY   2 -22.071   4.719  -5.353
   11    H    SER   3           HN       SER   3 -19.903   3.943  -4.928
   12    HA   SER   3           HA       SER   3 -19.685   2.556  -2.297
   13   1HB   SER   3          HB2       SER   3 -19.300   1.808  -4.945
   14   2HB   SER   3          HB1       SER   3 -17.656   2.039  -4.358
   15    HG   SER   3           HG       SER   3 -18.938  -0.080  -4.021
   16    H    TRP   4           HN       TRP   4 -18.558   3.709  -0.775
   17    HA   TRP   4           HA       TRP   4 -16.179   5.311  -1.666
   18   1HB   TRP   4          HB2       TRP   4 -18.378   6.319  -0.612
   19   2HB   TRP   4          HB1       TRP   4 -17.685   5.742   0.903
   20    HD1  TRP   4           HD1      TRP   4 -17.431   8.487  -1.612
   21    HE1  TRP   4           HE1      TRP   4 -15.531  10.103  -0.962
   22    HE3  TRP   4           HE3      TRP   4 -15.179   5.766   2.074
   23    HZ2  TRP   4           HZ2      TRP   4 -13.346  10.226   0.881
   24    HZ3  TRP   4           HZ3      TRP   4 -13.195   6.655   3.261
   25    HH2  TRP   4           HH2      TRP   4 -12.275   8.879   2.669
   26    H    LEU   5           HN       LEU   5 -17.448   3.589   1.226
   27    HA   LEU   5           HA       LEU   5 -14.759   3.193   2.312
   28   1HB   LEU   5          HB2       LEU   5 -15.993   2.072   4.109
   29   2HB   LEU   5          HB1       LEU   5 -16.829   3.557   3.662
   30    HG   LEU   5           HG       LEU   5 -17.883   1.574   1.959
   31   1HD1  LEU   5          HD11      LEU   5 -17.007  -0.198   3.347
   32   2HD1  LEU   5          HD12      LEU   5 -18.734  -0.069   3.679
   33   3HD1  LEU   5          HD13      LEU   5 -17.565   0.606   4.814
   34   1HD2  LEU   5          HD21      LEU   5 -19.005   2.719   4.538
   35   2HD2  LEU   5          HD22      LEU   5 -19.947   2.000   3.232
   36   3HD2  LEU   5          HD23      LEU   5 -19.073   3.507   2.961
   37    H    ARG   6           HN       ARG   6 -16.629   1.520  -0.029
   38    HA   ARG   6           HA       ARG   6 -15.316  -1.095   0.541
   39   1HB   ARG   6          HB2       ARG   6 -17.867  -0.335  -0.243
   40   2HB   ARG   6          HB1       ARG   6 -17.135  -0.860  -1.760
   41   1HG   ARG   6          HG2       ARG   6 -18.155  -2.795  -0.728
   42   2HG   ARG   6          HG1       ARG   6 -16.405  -2.971  -0.588
   43   1HD   ARG   6          HD2       ARG   6 -16.463  -2.187   1.729
   44   2HD   ARG   6          HD1       ARG   6 -18.205  -1.869   1.603
   45    HE   ARG   6           HE       ARG   6 -17.198  -4.625   1.055
   46   1HH1  ARG   6          HH11      ARG   6 -20.117  -4.102   1.168
   47   2HH1  ARG   6          HH12      ARG   6 -20.522  -4.546   2.792
   48   1HH2  ARG   6          HH21      ARG   6 -17.233  -4.455   3.914
   49   2HH2  ARG   6          HH22      ARG   6 -18.882  -4.748   4.354
   50    H    ASP   7           HN       ASP   7 -15.776   1.228  -2.154
   51    HA   ASP   7           HA       ASP   7 -13.966  -0.067  -3.983
   52   1HB   ASP   7          HB2       ASP   7 -15.822   1.747  -4.300
   53   2HB   ASP   7          HB1       ASP   7 -14.542   2.894  -3.905
   54    H    ILE   8           HN       ILE   8 -13.524   2.579  -1.614
   55    HA   ILE   8           HA       ILE   8 -10.726   3.020  -2.303
   56    HB   ILE   8           HB       ILE   8 -12.449   3.792   0.081
   57   1HG1  ILE   8          HG12      ILE   8 -11.517   5.473  -2.265
   58   2HG1  ILE   8          HG11      ILE   8 -13.070   4.641  -2.244
   59   1HG2  ILE   8          HG21      ILE   8 -10.610   5.636   0.224
   60   2HG2  ILE   8          HG22      ILE   8  -9.623   4.504  -0.701
   61   3HG2  ILE   8          HG23      ILE   8 -10.247   4.040   0.882
   62   1HD1  ILE   8          HD11      ILE   8 -13.971   6.282  -1.003
   63   2HD1  ILE   8          HD12      ILE   8 -12.453   7.170  -1.124
   64   3HD1  ILE   8          HD13      ILE   8 -12.727   6.073   0.229
   65    H    TRP   9           HN       TRP   9 -12.407   0.732  -0.269
   66    HA   TRP   9           HA       TRP   9 -10.379   0.170   1.672
   67   1HB   TRP   9          HB2       TRP   9 -12.940  -0.734   0.943
   68   2HB   TRP   9          HB1       TRP   9 -11.906  -2.156   0.812
   69    HD1  TRP   9           HD1      TRP   9 -12.191  -3.455   2.981
   70    HE1  TRP   9           HE1      TRP   9 -12.101  -2.885   5.494
   71    HE3  TRP   9           HE3      TRP   9 -11.731   1.627   2.722
   72    HZ2  TRP   9           HZ2      TRP   9 -11.868  -0.581   7.172
   73    HZ3  TRP   9           HZ3      TRP   9 -11.580   2.982   4.791
   74    HH2  TRP   9           HH2      TRP   9 -11.647   1.885   7.014
   75    H    ASP  10           HN       ASP  10 -10.999  -1.295  -1.552
   76    HA   ASP  10           HA       ASP  10  -8.887  -3.228  -1.467
   77   1HB   ASP  10          HB2       ASP  10 -10.832  -3.046  -3.085
   78   2HB   ASP  10          HB1       ASP  10  -9.969  -1.728  -3.876
   79    H    TRP  11           HN       TRP  11  -8.950   0.168  -2.575
   80    HA   TRP  11           HA       TRP  11  -6.231   0.254  -3.537
   81   1HB   TRP  11          HB2       TRP  11  -7.911   1.893  -4.186
   82   2HB   TRP  11          HB1       TRP  11  -8.173   2.353  -2.504
   83    HD1  TRP  11           HD1      TRP  11  -5.446   2.477  -5.222
   84    HE1  TRP  11           HE1      TRP  11  -3.870   4.449  -4.697
   85    HE3  TRP  11           HE3      TRP  11  -7.374   3.980  -0.740
   86    HZ2  TRP  11           HZ2      TRP  11  -3.480   6.407  -2.648
   87    HZ3  TRP  11           HZ3      TRP  11  -6.384   5.898   0.476
   88    HH2  TRP  11           HH2      TRP  11  -4.441   7.112  -0.471
   89    H    ILE  12           HN       ILE  12  -7.724   1.087  -0.389
   90    HA   ILE  12           HA       ILE  12  -5.389   2.050   0.936
   91    HB   ILE  12           HB       ILE  12  -7.978   0.729   1.763
   92   1HG1  ILE  12          HG12      ILE  12  -6.820   3.487   2.286
   93   2HG1  ILE  12          HG11      ILE  12  -7.909   3.102   0.954
   94   1HG2  ILE  12          HG21      ILE  12  -6.564  -0.017   3.521
   95   2HG2  ILE  12          HG22      ILE  12  -7.298   1.462   4.140
   96   3HG2  ILE  12          HG23      ILE  12  -5.644   1.488   3.529
   97   1HD1  ILE  12          HD11      ILE  12  -8.539   2.776   3.905
   98   2HD1  ILE  12          HD12      ILE  12  -9.623   2.360   2.578
   99   3HD1  ILE  12          HD13      ILE  12  -9.167   4.042   2.850
  100    H    CYS  13           HN       CYS  13  -6.552  -1.246   0.332
  101    HA   CYS  13           HA       CYS  13  -4.668  -2.589   2.083
  102   1HB   CYS  13          HB2       CYS  13  -6.912  -3.379   1.076
  103   2HB   CYS  13          HB1       CYS  13  -5.998  -3.698  -0.398
  104    HG   CYS  13           HG       CYS  13  -4.979  -5.701   0.661
  105    H    GLU  14           HN       GLU  14  -4.689  -1.737  -1.392
  106    HA   GLU  14           HA       GLU  14  -2.239  -3.100  -2.071
  107   1HB   GLU  14          HB2       GLU  14  -4.257  -1.426  -3.270
  108   2HB   GLU  14          HB1       GLU  14  -2.662  -0.846  -3.747
  109   1HG   GLU  14          HG2       GLU  14  -2.103  -2.838  -4.813
  110   2HG   GLU  14          HG1       GLU  14  -3.219  -3.792  -3.835
  111    H    VAL  15           HN       VAL  15  -2.968   0.180  -0.947
  112    HA   VAL  15           HA       VAL  15  -0.312   1.270  -1.281
  113    HB   VAL  15           HB       VAL  15  -2.648   1.974   0.535
  114   1HG1  VAL  15          HG11      VAL  15  -1.520   4.257   0.549
  115   2HG1  VAL  15          HG12      VAL  15  -0.088   3.461  -0.104
  116   3HG1  VAL  15          HG13      VAL  15  -0.702   3.006   1.486
  117   1HG2  VAL  15          HG21      VAL  15  -1.925   3.690  -1.759
  118   2HG2  VAL  15          HG22      VAL  15  -3.513   3.141  -1.221
  119   3HG2  VAL  15          HG23      VAL  15  -2.501   2.083  -2.204
  120    H    LEU  16           HN       LEU  16  -1.933  -0.506   1.333
  121    HA   LEU  16           HA       LEU  16   0.066  -0.092   3.369
  122   1HB   LEU  16          HB2       LEU  16  -2.362  -0.910   3.541
  123   2HB   LEU  16          HB1       LEU  16  -1.760  -2.484   3.021
  124    HG   LEU  16           HG       LEU  16  -0.007  -2.126   4.957
  125   1HD1  LEU  16          HD11      LEU  16  -2.340  -0.506   6.006
  126   2HD1  LEU  16          HD12      LEU  16  -0.887   0.238   5.337
  127   3HD1  LEU  16          HD13      LEU  16  -0.777  -0.773   6.778
  128   1HD2  LEU  16          HD21      LEU  16  -1.702  -3.915   4.890
  129   2HD2  LEU  16          HD22      LEU  16  -2.924  -2.788   5.478
  130   3HD2  LEU  16          HD23      LEU  16  -1.574  -3.245   6.516
  131    H    SER  17           HN       SER  17  -0.448  -2.710   0.974
  132    HA   SER  17           HA       SER  17   1.836  -4.282   1.831
  133   1HB   SER  17          HB2       SER  17   1.375  -5.433  -0.367
  134   2HB   SER  17          HB1       SER  17  -0.045  -5.277   0.660
  135    HG   SER  17           HG       SER  17   0.664  -3.855  -1.670
  136    H    ASP  18           HN       ASP  18   1.308  -1.827  -0.705
  137    HA   ASP  18           HA       ASP  18   3.895  -2.076  -1.951
  138   1HB   ASP  18          HB2       ASP  18   1.685  -0.949  -2.729
  139   2HB   ASP  18          HB1       ASP  18   2.246   0.446  -1.806
  140    H    PHE  19           HN       PHE  19   2.664  -0.032   0.711
  141    HA   PHE  19           HA       PHE  19   4.920   1.665   1.055
  142   1HB   PHE  19          HB2       PHE  19   2.500   0.923   2.412
  143   2HB   PHE  19          HB1       PHE  19   3.810   0.938   3.587
  144    HD1  PHE  19           HD1      PHE  19   1.472   2.945   1.817
  145    HD2  PHE  19           HD2      PHE  19   5.435   3.004   3.477
  146    HE1  PHE  19           HE1      PHE  19   1.422   5.424   1.852
  147    HE2  PHE  19           HE2      PHE  19   5.383   5.483   3.511
  148    HZ   PHE  19           HZ       PHE  19   3.377   6.693   2.699
  149    H    LYS  20           HN       LYS  20   4.377  -1.692   2.006
  150    HA   LYS  20           HA       LYS  20   6.762  -1.829   3.716
  151   1HB   LYS  20          HB2       LYS  20   4.635  -3.107   4.067
  152   2HB   LYS  20          HB1       LYS  20   4.961  -3.993   2.577
  153   1HG   LYS  20          HG2       LYS  20   5.993  -5.463   3.987
  154   2HG   LYS  20          HG1       LYS  20   7.334  -4.325   3.862
  155   1HD   LYS  20          HD2       LYS  20   7.206  -4.006   6.085
  156   2HD   LYS  20          HD1       LYS  20   5.617  -3.279   5.848
  157   1HE   LYS  20          HE2       LYS  20   4.508  -5.159   6.559
  158   2HE   LYS  20          HE1       LYS  20   5.686  -6.256   5.812
  159   1HZ   LYS  20          HZ1       LYS  20   6.040  -4.675   8.306
  160   2HZ   LYS  20          HZ2       LYS  20   7.304  -5.504   7.529
  161   3HZ   LYS  20          HZ3       LYS  20   5.987  -6.364   8.167
  162    H    THR  21           HN       THR  21   5.880  -2.761   0.382
  163    HA   THR  21           HA       THR  21   8.461  -4.121  -0.052
  164    HB   THR  21           HB       THR  21   7.475  -4.312  -2.396
  165    HG1  THR  21           HG1      THR  21   5.179  -3.760  -2.404
  166   1HG2  THR  21          HG21      THR  21   7.168  -6.079  -0.728
  167   2HG2  THR  21          HG22      THR  21   5.695  -5.884  -1.679
  168   3HG2  THR  21          HG23      THR  21   5.786  -5.219  -0.048
  169    H    TRP  22           HN       TRP  22   6.887  -1.101  -1.182
  170    HA   TRP  22           HA       TRP  22   8.885  -0.174  -2.961
  171   1HB   TRP  22          HB2       TRP  22   6.563   0.758  -2.341
  172   2HB   TRP  22          HB1       TRP  22   7.366   1.552  -0.991
  173    HD1  TRP  22           HD1      TRP  22   7.132   1.600  -4.793
  174    HE1  TRP  22           HE1      TRP  22   8.238   3.758  -5.670
  175    HE3  TRP  22           HE3      TRP  22   9.175   3.368  -0.461
  176    HZ2  TRP  22           HZ2      TRP  22   9.784   5.945  -4.666
  177    HZ3  TRP  22           HZ3      TRP  22  10.457   5.488  -0.448
  178    HH2  TRP  22           HH2      TRP  22  10.764   6.778  -2.544
  179    H    LEU  23           HN       LEU  23   8.571   0.486   0.539
  180    HA   LEU  23           HA       LEU  23  11.015   1.960   0.831
  181   1HB   LEU  23          HB2       LEU  23   8.825   1.111   2.388
  182   2HB   LEU  23          HB1       LEU  23  10.243   0.429   3.182
  183    HG   LEU  23           HG       LEU  23  11.296   2.756   2.980
  184   1HD1  LEU  23          HD11      LEU  23   9.579   4.603   2.838
  185   2HD1  LEU  23          HD12      LEU  23   8.407   3.395   2.313
  186   3HD1  LEU  23          HD13      LEU  23   9.828   3.734   1.325
  187   1HD2  LEU  23          HD21      LEU  23  10.119   3.574   4.982
  188   2HD2  LEU  23          HD22      LEU  23  10.386   1.834   5.097
  189   3HD2  LEU  23          HD23      LEU  23   8.791   2.456   4.671
  190    H    LYS  24           HN       LYS  24  10.320  -1.533   0.975
  191    HA   LYS  24           HA       LYS  24  12.951  -2.278   1.987
  192   1HB   LYS  24          HB2       LYS  24  10.640  -3.501   2.037
  193   2HB   LYS  24          HB1       LYS  24  11.080  -4.050   0.421
  194   1HG   LYS  24          HG2       LYS  24  11.938  -5.763   1.767
  195   2HG   LYS  24          HG1       LYS  24  13.347  -4.726   1.546
  196   1HD   LYS  24          HD2       LYS  24  13.182  -5.280   3.900
  197   2HD   LYS  24          HD1       LYS  24  12.761  -3.579   3.705
  198   1HE   LYS  24          HE2       LYS  24  10.467  -3.971   4.066
  199   2HE   LYS  24          HE1       LYS  24  10.603  -5.694   3.663
  200   1HZ   LYS  24          HZ1       LYS  24  10.489  -5.275   6.087
  201   2HZ   LYS  24          HZ2       LYS  24  11.944  -4.404   5.984
  202   3HZ   LYS  24          HZ3       LYS  24  11.915  -6.063   5.618
  203    H    ALA  25           HN       ALA  25  11.402  -2.314  -1.241
  204    HA   ALA  25           HA       ALA  25  13.538  -3.454  -2.730
  205   1HB   ALA  25          HB1       ALA  25  11.385  -1.429  -3.407
  206   2HB   ALA  25          HB2       ALA  25  11.310  -3.177  -3.623
  207   3HB   ALA  25          HB3       ALA  25  12.395  -2.211  -4.623
  208    H    LYS  26           HN       LYS  26  13.059  -0.128  -1.595
  209    HA   LYS  26           HA       LYS  26  14.953   1.216  -3.245
  210   1HB   LYS  26          HB2       LYS  26  13.223   2.183  -1.683
  211   2HB   LYS  26          HB1       LYS  26  14.272   1.743  -0.335
  212   1HG   LYS  26          HG2       LYS  26  16.049   3.171  -1.187
  213   2HG   LYS  26          HG1       LYS  26  15.109   3.532  -2.635
  214   1HD   LYS  26          HD2       LYS  26  13.295   4.389  -0.989
  215   2HD   LYS  26          HD1       LYS  26  14.593   4.405   0.205
  216   1HE   LYS  26          HE2       LYS  26  14.886   6.545  -0.627
  217   2HE   LYS  26          HE1       LYS  26  15.849   5.679  -1.840
  218   1HZ   LYS  26          HZ1       LYS  26  13.871   5.442  -3.206
  219   2HZ   LYS  26          HZ2       LYS  26  14.163   7.085  -2.886
  220   3HZ   LYS  26          HZ3       LYS  26  12.937   6.259  -2.048
  221    H    LEU  27           HN       LEU  27  15.404  -0.381  -0.061
  222    HA   LEU  27           HA       LEU  27  18.373  -0.183  -0.478
  223   1HB   LEU  27          HB2       LEU  27  16.707   0.660   1.603
  224   2HB   LEU  27          HB1       LEU  27  17.417  -0.836   2.210
  225    HG   LEU  27           HG       LEU  27  19.677   0.092   1.453
  226   1HD1  LEU  27          HD11      LEU  27  19.766   2.577   1.261
  227   2HD1  LEU  27          HD12      LEU  27  18.003   2.617   1.283
  228   3HD1  LEU  27          HD13      LEU  27  18.850   1.834  -0.051
  229   1HD2  LEU  27          HD21      LEU  27  19.861   1.566   3.463
  230   2HD2  LEU  27          HD22      LEU  27  19.035   0.048   3.812
  231   3HD2  LEU  27          HD23      LEU  27  18.104   1.532   3.613
  232    H    MET  28           HN       MET  28  19.188  -2.086   1.362
  233    HA   MET  28           HA       MET  28  19.492  -4.395   1.708
  234   1HB   MET  28          HB2       MET  28  16.674  -3.917   1.407
  235   2HB   MET  28          HB1       MET  28  17.070  -5.455   0.640
  236   1HG   MET  28          HG2       MET  28  17.434  -6.454   2.631
  237   2HG   MET  28          HG1       MET  28  18.451  -5.126   3.190
  238   1HE   MET  28          HE1       MET  28  15.651  -7.045   4.457
  239   2HE   MET  28          HE2       MET  28  15.585  -5.940   5.828
  240   3HE   MET  28          HE3       MET  28  17.147  -6.467   5.205
  241    HA   PRO  29           HA       PRO  29  20.875  -5.809  -2.224
  242   1HB   PRO  29          HB2       PRO  29  21.493  -8.401  -1.587
  243   2HB   PRO  29          HB1       PRO  29  22.476  -7.018  -1.088
  244   1HG   PRO  29          HG2       PRO  29  20.551  -8.626   0.485
  245   2HG   PRO  29          HG1       PRO  29  22.051  -7.841   0.994
  246   1HD   PRO  29          HD2       PRO  29  19.513  -6.865   1.476
  247   2HD   PRO  29          HD1       PRO  29  20.999  -5.892   1.491
  248    H    GLN  30           HN       GLN  30  19.492  -8.868  -1.062
  249    HA   GLN  30           HA       GLN  30  17.921  -9.165  -3.519
  250   1HB   GLN  30          HB2       GLN  30  18.199 -10.788  -0.964
  251   2HB   GLN  30          HB1       GLN  30  17.299 -11.329  -2.380
  252   1HG   GLN  30          HG2       GLN  30  19.220 -12.132  -3.237
  253   2HG   GLN  30          HG1       GLN  30  19.822 -10.477  -3.337
  254   1HE2  GLN  30          HE21      GLN  30  20.172 -13.500  -1.658
  255   2HE2  GLN  30          HE22      GLN  30  21.314 -12.973  -0.519
  256    H    LEU  31           HN       LEU  31  16.077  -7.915  -3.646
  257    HA   LEU  31           HA       LEU  31  13.973  -7.014  -3.100
  258   1HB   LEU  31          HB2       LEU  31  14.213  -9.546  -1.485
  259   2HB   LEU  31          HB1       LEU  31  12.794  -8.521  -1.280
  260    HG   LEU  31           HG       LEU  31  13.634  -9.153  -4.074
  261   1HD1  LEU  31          HD11      LEU  31  13.796 -11.326  -2.860
  262   2HD1  LEU  31          HD12      LEU  31  12.479 -11.305  -4.033
  263   3HD1  LEU  31          HD13      LEU  31  12.132 -11.115  -2.314
  264   1HD2  LEU  31          HD21      LEU  31  11.663  -7.684  -3.319
  265   2HD2  LEU  31          HD22      LEU  31  10.892  -9.182  -2.796
  266   3HD2  LEU  31          HD23      LEU  31  11.297  -8.945  -4.496
  Start of MODEL    2
    1   1H    SER   1           HT1      SER   1 -26.779   1.630  -8.713
    2   2H    SER   1           HT2      SER   1 -26.067   2.768  -9.754
    3   3H    SER   1           HT3      SER   1 -27.489   3.158  -8.910
    4    HA   SER   1           HA       SER   1 -25.479   4.189  -7.920
    5   1HB   SER   1          HB2       SER   1 -26.892   2.076  -6.260
    6   2HB   SER   1          HB1       SER   1 -26.195   3.580  -5.664
    7    HG   SER   1           HG       SER   1 -28.379   3.904  -5.968
    8    H    GLY   2           HN       GLY   2 -23.296   3.811  -7.873
    9   1HA   GLY   2          HA2       GLY   2 -22.333   1.009  -7.550
   10   2HA   GLY   2          HA1       GLY   2 -21.387   2.337  -8.221
   11    H    SER   3           HN       SER   3 -20.823   0.490  -5.908
   12    HA   SER   3           HA       SER   3 -20.964   2.147  -3.494
   13   1HB   SER   3          HB2       SER   3 -20.960  -0.439  -3.787
   14   2HB   SER   3          HB1       SER   3 -19.213  -0.274  -3.952
   15    HG   SER   3           HG       SER   3 -19.198   0.750  -1.914
   16    H    TRP   4           HN       TRP   4 -19.354   3.498  -2.714
   17    HA   TRP   4           HA       TRP   4 -16.883   3.779  -4.383
   18   1HB   TRP   4          HB2       TRP   4 -18.748   5.615  -3.828
   19   2HB   TRP   4          HB1       TRP   4 -17.773   5.808  -2.371
   20    HD1  TRP   4           HD1      TRP   4 -16.736   5.197  -6.054
   21    HE1  TRP   4           HE1      TRP   4 -15.003   6.987  -6.703
   22    HE3  TRP   4           HE3      TRP   4 -16.618   7.920  -1.733
   23    HZ2  TRP   4           HZ2      TRP   4 -13.735   9.277  -5.546
   24    HZ3  TRP   4           HZ3      TRP   4 -15.140   9.900  -1.536
   25    HH2  TRP   4           HH2      TRP   4 -13.700  10.581  -3.436
   26    H    LEU   5           HN       LEU   5 -18.014   3.700  -0.980
   27    HA   LEU   5           HA       LEU   5 -15.537   3.956   0.350
   28   1HB   LEU   5          HB2       LEU   5 -17.965   3.817   1.218
   29   2HB   LEU   5          HB1       LEU   5 -17.748   2.068   1.184
   30    HG   LEU   5           HG       LEU   5 -15.516   3.489   2.462
   31   1HD1  LEU   5          HD11      LEU   5 -17.430   4.945   3.138
   32   2HD1  LEU   5          HD12      LEU   5 -16.719   4.080   4.501
   33   3HD1  LEU   5          HD13      LEU   5 -18.239   3.523   3.800
   34   1HD2  LEU   5          HD21      LEU   5 -15.788   1.701   4.096
   35   2HD2  LEU   5          HD22      LEU   5 -15.928   1.015   2.478
   36   3HD2  LEU   5          HD23      LEU   5 -17.376   1.300   3.442
   37    H    ARG   6           HN       ARG   6 -17.131   0.915  -0.728
   38    HA   ARG   6           HA       ARG   6 -15.052  -0.870   0.090
   39   1HB   ARG   6          HB2       ARG   6 -17.513  -1.211  -0.774
   40   2HB   ARG   6          HB1       ARG   6 -16.752  -1.287  -2.364
   41   1HG   ARG   6          HG2       ARG   6 -15.454  -3.186  -1.776
   42   2HG   ARG   6          HG1       ARG   6 -15.761  -2.964  -0.054
   43   1HD   ARG   6          HD2       ARG   6 -18.048  -3.478  -1.963
   44   2HD   ARG   6          HD1       ARG   6 -17.113  -4.819  -1.271
   45    HE   ARG   6           HE       ARG   6 -18.512  -2.756   0.398
   46   1HH1  ARG   6          HH21      ARG   6 -19.947  -5.302   0.160
   47   2HH1  ARG   6          HH22      ARG   6 -19.345  -6.230   1.493
   48   1HH2  ARG   6          HH11      ARG   6 -16.559  -4.210   1.979
   49   2HH2  ARG   6          HH12      ARG   6 -17.419  -5.608   2.527
   50    H    ASP   7           HN       ASP   7 -15.545   0.964  -2.921
   51    HA   ASP   7           HA       ASP   7 -13.484  -0.184  -4.516
   52   1HB   ASP   7          HB2       ASP   7 -15.371   1.456  -5.100
   53   2HB   ASP   7          HB1       ASP   7 -14.328   2.726  -4.460
   54    H    ILE   8           HN       ILE   8 -13.381   2.464  -2.123
   55    HA   ILE   8           HA       ILE   8 -10.533   3.013  -2.576
   56    HB   ILE   8           HB       ILE   8 -12.490   3.857  -0.407
   57   1HG1  ILE   8          HG12      ILE   8 -11.602   5.753  -2.508
   58   2HG1  ILE   8          HG11      ILE   8 -12.646   4.448  -3.071
   59   1HG2  ILE   8          HG21      ILE   8 -10.422   4.389   0.517
   60   2HG2  ILE   8          HG22      ILE   8 -10.745   5.848  -0.420
   61   3HG2  ILE   8          HG23      ILE   8  -9.659   4.612  -1.057
   62   1HD1  ILE   8          HD11      ILE   8 -13.231   6.589  -1.041
   63   2HD1  ILE   8          HD12      ILE   8 -14.112   5.063  -0.996
   64   3HD1  ILE   8          HD13      ILE   8 -14.194   6.086  -2.430
   65    H    TRP   9           HN       TRP   9 -12.468   1.081  -0.321
   66    HA   TRP   9           HA       TRP   9 -10.587   0.619   1.745
   67   1HB   TRP   9          HB2       TRP   9 -13.088  -0.068   1.393
   68   2HB   TRP   9          HB1       TRP   9 -12.410  -1.521   0.657
   69    HD1  TRP   9           HD1      TRP   9 -12.148  -3.415   2.315
   70    HE1  TRP   9           HE1      TRP   9 -11.650  -3.618   4.836
   71    HE3  TRP   9           HE3      TRP   9 -11.698   1.526   3.529
   72    HZ2  TRP   9           HZ2      TRP   9 -11.130  -1.913   7.073
   73    HZ3  TRP   9           HZ3      TRP   9 -11.202   2.207   5.859
   74    HH2  TRP   9           HH2      TRP   9 -10.916   0.496   7.631
   75    H    ASP  10           HN       ASP  10 -11.075  -1.247  -1.286
   76    HA   ASP  10           HA       ASP  10  -8.996  -3.168  -0.846
   77   1HB   ASP  10          HB2       ASP  10 -10.899  -3.129  -2.565
   78   2HB   ASP  10          HB1       ASP  10  -9.891  -2.032  -3.511
   79    H    TRP  11           HN       TRP  11  -8.968   0.050  -2.390
   80    HA   TRP  11           HA       TRP  11  -6.246   0.005  -3.311
   81   1HB   TRP  11          HB2       TRP  11  -7.875   1.613  -4.117
   82   2HB   TRP  11          HB1       TRP  11  -8.163   2.212  -2.485
   83    HD1  TRP  11           HD1      TRP  11  -5.505   2.208  -5.248
   84    HE1  TRP  11           HE1      TRP  11  -3.881   4.166  -4.826
   85    HE3  TRP  11           HE3      TRP  11  -7.218   3.818  -0.715
   86    HZ2  TRP  11           HZ2      TRP  11  -3.375   6.152  -2.830
   87    HZ3  TRP  11           HZ3      TRP  11  -6.149   5.740   0.424
   88    HH2  TRP  11           HH2      TRP  11  -4.231   6.908  -0.627
   89    H    ILE  12           HN       ILE  12  -7.720   1.065  -0.228
   90    HA   ILE  12           HA       ILE  12  -5.370   2.135   1.001
   91    HB   ILE  12           HB       ILE  12  -7.902   0.812   2.023
   92   1HG1  ILE  12          HG12      ILE  12  -6.973   3.696   2.171
   93   2HG1  ILE  12          HG11      ILE  12  -7.957   3.066   0.850
   94   1HG2  ILE  12          HG21      ILE  12  -7.155   2.051   4.217
   95   2HG2  ILE  12          HG22      ILE  12  -5.535   1.885   3.540
   96   3HG2  ILE  12          HG23      ILE  12  -6.507   0.448   3.866
   97   1HD1  ILE  12          HD11      ILE  12  -9.664   2.337   2.524
   98   2HD1  ILE  12          HD12      ILE  12  -9.420   4.083   2.514
   99   3HD1  ILE  12          HD13      ILE  12  -8.702   3.100   3.790
  100    H    CYS  13           HN       CYS  13  -6.632  -1.188   0.789
  101    HA   CYS  13           HA       CYS  13  -4.674  -2.393   2.551
  102   1HB   CYS  13          HB2       CYS  13  -6.987  -3.223   1.739
  103   2HB   CYS  13          HB1       CYS  13  -6.151  -3.722   0.269
  104    HG   CYS  13           HG       CYS  13  -5.028  -5.580   1.508
  105    H    GLU  14           HN       GLU  14  -4.819  -1.784  -0.958
  106    HA   GLU  14           HA       GLU  14  -2.489  -3.334  -1.661
  107   1HB   GLU  14          HB2       GLU  14  -4.501  -1.744  -2.894
  108   2HB   GLU  14          HB1       GLU  14  -2.947  -1.093  -3.409
  109   1HG   GLU  14          HG2       GLU  14  -2.305  -3.070  -4.452
  110   2HG   GLU  14          HG1       GLU  14  -3.345  -4.064  -3.432
  111    H    VAL  15           HN       VAL  15  -2.977   0.117  -0.924
  112    HA   VAL  15           HA       VAL  15  -0.273   0.974  -1.373
  113    HB   VAL  15           HB       VAL  15  -2.464   2.007   0.465
  114   1HG1  VAL  15          HG11      VAL  15   0.270   2.990  -0.186
  115   2HG1  VAL  15          HG12      VAL  15  -0.695   3.233   1.269
  116   3HG1  VAL  15          HG13      VAL  15  -1.016   4.196  -0.173
  117   1HG2  VAL  15          HG21      VAL  15  -1.998   3.632  -1.840
  118   2HG2  VAL  15          HG22      VAL  15  -3.446   2.707  -1.440
  119   3HG2  VAL  15          HG23      VAL  15  -2.158   1.962  -2.388
  120    H    LEU  16           HN       LEU  16  -1.914  -0.352   1.505
  121    HA   LEU  16           HA       LEU  16   0.178   0.084   3.412
  122   1HB   LEU  16          HB2       LEU  16  -2.191  -0.591   3.870
  123   2HB   LEU  16          HB1       LEU  16  -1.837  -2.184   3.202
  124    HG   LEU  16           HG       LEU  16   0.044  -1.248   5.292
  125   1HD1  LEU  16          HD11      LEU  16  -2.185  -0.445   6.123
  126   2HD1  LEU  16          HD12      LEU  16  -1.468  -1.696   7.138
  127   3HD1  LEU  16          HD13      LEU  16  -2.771  -2.105   6.024
  128   1HD2  LEU  16          HD21      LEU  16   0.347  -3.466   4.535
  129   2HD2  LEU  16          HD22      LEU  16  -1.386  -3.792   4.520
  130   3HD2  LEU  16          HD23      LEU  16  -0.527  -3.666   6.054
  131    H    SER  17           HN       SER  17  -0.563  -2.770   1.369
  132    HA   SER  17           HA       SER  17   1.745  -4.313   2.140
  133   1HB   SER  17          HB2       SER  17  -0.108  -4.278  -0.257
  134   2HB   SER  17          HB1       SER  17   1.157  -5.487  -0.062
  135    HG   SER  17           HG       SER  17  -1.208  -5.095   1.368
  136    H    ASP  18           HN       ASP  18   1.123  -1.954  -0.451
  137    HA   ASP  18           HA       ASP  18   3.604  -2.281  -1.868
  138   1HB   ASP  18          HB2       ASP  18   1.617  -1.156  -2.783
  139   2HB   ASP  18          HB1       ASP  18   1.726   0.086  -1.535
  140    H    PHE  19           HN       PHE  19   2.610  -0.141   0.823
  141    HA   PHE  19           HA       PHE  19   4.873   1.512   1.053
  142   1HB   PHE  19          HB2       PHE  19   2.582   0.877   2.517
  143   2HB   PHE  19          HB1       PHE  19   3.899   0.473   3.614
  144    HD1  PHE  19           HD1      PHE  19   5.896   2.275   3.611
  145    HD2  PHE  19           HD2      PHE  19   1.816   3.079   2.534
  146    HE1  PHE  19           HE1      PHE  19   6.244   4.682   4.092
  147    HE2  PHE  19           HE2      PHE  19   2.165   5.488   3.015
  148    HZ   PHE  19           HZ       PHE  19   4.379   6.289   3.793
  149    H    LYS  20           HN       LYS  20   4.397  -1.776   2.375
  150    HA   LYS  20           HA       LYS  20   6.951  -2.007   3.675
  151   1HB   LYS  20          HB2       LYS  20   4.935  -3.436   4.045
  152   2HB   LYS  20          HB1       LYS  20   5.159  -4.129   2.439
  153   1HG   LYS  20          HG2       LYS  20   7.629  -4.230   3.969
  154   2HG   LYS  20          HG1       LYS  20   6.318  -5.038   4.829
  155   1HD   LYS  20          HD2       LYS  20   6.148  -5.752   2.059
  156   2HD   LYS  20          HD1       LYS  20   7.808  -6.006   2.596
  157   1HE   LYS  20          HE2       LYS  20   5.645  -6.943   4.434
  158   2HE   LYS  20          HE1       LYS  20   5.921  -7.886   2.957
  159   1HZ   LYS  20          HZ1       LYS  20   8.061  -7.025   4.837
  160   2HZ   LYS  20          HZ2       LYS  20   8.254  -8.013   3.466
  161   3HZ   LYS  20          HZ3       LYS  20   7.379  -8.578   4.808
  162    H    THR  21           HN       THR  21   5.840  -2.875   0.387
  163    HA   THR  21           HA       THR  21   8.399  -3.986  -0.451
  164    HB   THR  21           HB       THR  21   6.078  -2.920  -2.097
  165    HG1  THR  21           HG1      THR  21   4.991  -4.523  -1.329
  166   1HG2  THR  21          HG21      THR  21   8.563  -4.232  -2.746
  167   2HG2  THR  21          HG22      THR  21   7.310  -3.637  -3.834
  168   3HG2  THR  21          HG23      THR  21   7.209  -5.274  -3.183
  169    H    TRP  22           HN       TRP  22   6.803  -0.817  -0.739
  170    HA   TRP  22           HA       TRP  22   8.521   0.480  -2.574
  171   1HB   TRP  22          HB2       TRP  22   6.345   1.182  -1.259
  172   2HB   TRP  22          HB1       TRP  22   7.489   1.828  -0.087
  173    HD1  TRP  22           HD1      TRP  22   5.908   2.568  -3.383
  174    HE1  TRP  22           HE1      TRP  22   6.886   4.745  -4.360
  175    HE3  TRP  22           HE3      TRP  22   9.856   3.261  -0.218
  176    HZ2  TRP  22           HZ2      TRP  22   9.058   6.542  -3.864
  177    HZ3  TRP  22           HZ3      TRP  22  11.361   5.210  -0.491
  178    HH2  TRP  22           HH2      TRP  22  10.967   6.851  -2.308
  179    H    LEU  23           HN       LEU  23   8.790   0.300   0.987
  180    HA   LEU  23           HA       LEU  23  11.338   1.657   1.146
  181   1HB   LEU  23          HB2       LEU  23   9.467   0.160   2.884
  182   2HB   LEU  23          HB1       LEU  23  11.150   0.115   3.408
  183    HG   LEU  23           HG       LEU  23  11.014   2.723   2.864
  184   1HD1  LEU  23          HD11      LEU  23   8.168   1.975   3.608
  185   2HD1  LEU  23          HD12      LEU  23   8.686   2.606   2.044
  186   3HD1  LEU  23          HD13      LEU  23   8.800   3.617   3.485
  187   1HD2  LEU  23          HD21      LEU  23  11.523   1.603   5.060
  188   2HD2  LEU  23          HD22      LEU  23   9.788   1.550   5.380
  189   3HD2  LEU  23          HD23      LEU  23  10.609   3.104   5.227
  190    H    LYS  24           HN       LYS  24  10.405  -1.780   0.906
  191    HA   LYS  24           HA       LYS  24  13.023  -2.898   1.334
  192   1HB   LYS  24          HB2       LYS  24  10.746  -4.030   1.384
  193   2HB   LYS  24          HB1       LYS  24  10.758  -3.969  -0.379
  194   1HG   LYS  24          HG2       LYS  24  12.228  -5.686  -0.538
  195   2HG   LYS  24          HG1       LYS  24  13.241  -5.052   0.759
  196   1HD   LYS  24          HD2       LYS  24  11.904  -6.051   2.445
  197   2HD   LYS  24          HD1       LYS  24  10.573  -6.349   1.328
  198   1HE   LYS  24          HE2       LYS  24  13.185  -7.606   0.623
  199   2HE   LYS  24          HE1       LYS  24  12.316  -8.293   2.011
  200   1HZ   LYS  24          HZ1       LYS  24  11.565  -9.289  -0.074
  201   2HZ   LYS  24          HZ2       LYS  24  11.139  -7.756  -0.670
  202   3HZ   LYS  24          HZ3       LYS  24  10.313  -8.412   0.662
  203    H    ALA  25           HN       ALA  25  11.273  -1.913  -1.626
  204    HA   ALA  25           HA       ALA  25  13.435  -2.675  -3.433
  205   1HB   ALA  25          HB1       ALA  25  11.198  -0.714  -3.965
  206   2HB   ALA  25          HB2       ALA  25  10.887  -2.445  -3.833
  207   3HB   ALA  25          HB3       ALA  25  11.959  -1.835  -5.094
  208    H    LYS  26           HN       LYS  26  12.994  -0.003  -1.320
  209    HA   LYS  26           HA       LYS  26  14.620   1.835  -3.004
  210   1HB   LYS  26          HB2       LYS  26  12.462   2.493  -1.833
  211   2HB   LYS  26          HB1       LYS  26  13.315   2.286  -0.303
  212   1HG   LYS  26          HG2       LYS  26  13.438   4.625  -0.897
  213   2HG   LYS  26          HG1       LYS  26  15.040   3.925  -1.135
  214   1HD   LYS  26          HD2       LYS  26  14.930   4.091  -3.425
  215   2HD   LYS  26          HD1       LYS  26  13.183   3.851  -3.464
  216   1HE   LYS  26          HE2       LYS  26  13.041   6.193  -2.337
  217   2HE   LYS  26          HE1       LYS  26  14.716   6.389  -2.886
  218   1HZ   LYS  26          HZ1       LYS  26  13.996   5.719  -5.121
  219   2HZ   LYS  26          HZ2       LYS  26  13.209   7.134  -4.606
  220   3HZ   LYS  26          HZ3       LYS  26  12.388   5.647  -4.583
  221    H    LEU  27           HN       LEU  27  14.599   0.578   0.370
  222    HA   LEU  27           HA       LEU  27  17.591   0.859   0.374
  223   1HB   LEU  27          HB2       LEU  27  15.865   2.358   1.804
  224   2HB   LEU  27          HB1       LEU  27  16.008   0.989   2.902
  225    HG   LEU  27           HG       LEU  27  17.671   2.806   3.367
  226   1HD1  LEU  27          HD11      LEU  27  19.455   1.330   3.807
  227   2HD1  LEU  27          HD12      LEU  27  19.126   0.361   2.372
  228   3HD1  LEU  27          HD13      LEU  27  18.043   0.274   3.761
  229   1HD2  LEU  27          HD21      LEU  27  19.247   1.984   0.970
  230   2HD2  LEU  27          HD22      LEU  27  19.202   3.534   1.808
  231   3HD2  LEU  27          HD23      LEU  27  17.900   3.091   0.705
  232    H    MET  28           HN       MET  28  18.666  -1.012   0.839
  233    HA   MET  28           HA       MET  28  17.534  -3.067   2.589
  234   1HB   MET  28          HB2       MET  28  16.303  -3.640   0.633
  235   2HB   MET  28          HB1       MET  28  17.697  -3.401  -0.414
  236   1HG   MET  28          HG2       MET  28  18.637  -5.440   0.139
  237   2HG   MET  28          HG1       MET  28  17.932  -5.443   1.755
  238   1HE   MET  28          HE1       MET  28  16.743  -8.204  -1.240
  239   2HE   MET  28          HE2       MET  28  18.130  -7.873  -0.205
  240   3HE   MET  28          HE3       MET  28  17.869  -6.903  -1.652
  241    HA   PRO  29           HA       PRO  29  21.905  -4.488   1.336
  242   1HB   PRO  29          HB2       PRO  29  23.206  -3.268  -0.735
  243   2HB   PRO  29          HB1       PRO  29  22.144  -4.669  -0.953
  244   1HG   PRO  29          HG2       PRO  29  21.603  -1.790  -1.450
  245   2HG   PRO  29          HG1       PRO  29  21.078  -3.212  -2.365
  246   1HD   PRO  29          HD2       PRO  29  19.476  -1.838  -0.626
  247   2HD   PRO  29          HD1       PRO  29  19.260  -3.553  -1.036
  248    H    GLN  30           HN       GLN  30  24.274  -3.344   1.206
  249    HA   GLN  30           HA       GLN  30  25.743  -1.819   2.246
  250   1HB   GLN  30          HB2       GLN  30  23.503  -0.220   1.065
  251   2HB   GLN  30          HB1       GLN  30  24.644   0.621   2.111
  252   1HG   GLN  30          HG2       GLN  30  25.749   0.844   0.095
  253   2HG   GLN  30          HG1       GLN  30  26.426  -0.696   0.625
  254   1HE2  GLN  30          HE21      GLN  30  24.140   0.796  -1.642
  255   2HE2  GLN  30          HE22      GLN  30  23.893  -0.596  -2.580
  256    H    LEU  31           HN       LEU  31  25.378   0.328   3.927
  257    HA   LEU  31           HA       LEU  31  23.930  -0.900   6.245
  258   1HB   LEU  31          HB2       LEU  31  26.339   0.877   5.883
  259   2HB   LEU  31          HB1       LEU  31  25.514   0.812   7.440
  260    HG   LEU  31           HG       LEU  31  26.109  -1.806   6.163
  261   1HD1  LEU  31          HD11      LEU  31  28.260  -0.054   7.394
  262   2HD1  LEU  31          HD12      LEU  31  28.187  -0.574   5.711
  263   3HD1  LEU  31          HD13      LEU  31  28.447  -1.761   6.989
  264   1HD2  LEU  31          HD21      LEU  31  26.518  -2.433   8.485
  265   2HD2  LEU  31          HD22      LEU  31  25.016  -1.512   8.400
  266   3HD2  LEU  31          HD23      LEU  31  26.493  -0.740   8.979
  Start of MODEL    3
    1   1H    SER   1           HT1      SER   1 -17.005   5.899 -10.156
    2   2H    SER   1           HT2      SER   1 -15.383   5.393 -10.137
    3   3H    SER   1           HT3      SER   1 -16.066   6.118  -8.760
    4    HA   SER   1           HA       SER   1 -16.699   3.436  -9.882
    5   1HB   SER   1          HB2       SER   1 -15.915   2.843  -7.541
    6   2HB   SER   1          HB1       SER   1 -14.672   3.550  -8.569
    7    HG   SER   1           HG       SER   1 -15.300   4.382  -6.239
    8    H    GLY   2           HN       GLY   2 -18.311   2.265  -8.488
    9   1HA   GLY   2          HA2       GLY   2 -20.658   3.904  -7.988
   10   2HA   GLY   2          HA1       GLY   2 -20.524   2.171  -7.676
   11    H    SER   3           HN       SER   3 -18.700   1.811  -5.826
   12    HA   SER   3           HA       SER   3 -19.793   3.116  -3.431
   13   1HB   SER   3          HB2       SER   3 -19.210   0.697  -3.584
   14   2HB   SER   3          HB1       SER   3 -17.522   1.136  -3.826
   15    HG   SER   3           HG       SER   3 -19.072   1.158  -1.536
   16    H    TRP   4           HN       TRP   4 -18.476   4.343  -1.928
   17    HA   TRP   4           HA       TRP   4 -16.151   5.720  -3.229
   18   1HB   TRP   4          HB2       TRP   4 -18.496   6.746  -2.300
   19   2HB   TRP   4          HB1       TRP   4 -17.497   6.884  -0.852
   20    HD1  TRP   4           HD1      TRP   4 -17.961   8.298  -4.316
   21    HE1  TRP   4           HE1      TRP   4 -16.327  10.259  -4.669
   22    HE3  TRP   4           HE3      TRP   4 -15.063   7.794  -0.143
   23    HZ2  TRP   4           HZ2      TRP   4 -14.089  11.460  -3.353
   24    HZ3  TRP   4           HZ3      TRP   4 -13.190   9.359   0.284
   25    HH2  TRP   4           HH2      TRP   4 -12.698  11.189  -1.315
   26    H    LEU   5           HN       LEU   5 -17.312   4.364  -0.125
   27    HA   LEU   5           HA       LEU   5 -14.692   4.731   1.162
   28   1HB   LEU   5          HB2       LEU   5 -17.423   3.724   1.860
   29   2HB   LEU   5          HB1       LEU   5 -16.077   3.194   2.867
   30    HG   LEU   5           HG       LEU   5 -16.361   6.107   2.179
   31   1HD1  LEU   5          HD11      LEU   5 -17.722   4.749   4.524
   32   2HD1  LEU   5          HD12      LEU   5 -18.565   5.280   3.069
   33   3HD1  LEU   5          HD13      LEU   5 -17.777   6.463   4.114
   34   1HD2  LEU   5          HD21      LEU   5 -15.254   6.320   4.401
   35   2HD2  LEU   5          HD22      LEU   5 -14.310   5.335   3.283
   36   3HD2  LEU   5          HD23      LEU   5 -15.261   4.563   4.551
   37    H    ARG   6           HN       ARG   6 -16.701   1.873   0.291
   38    HA   ARG   6           HA       ARG   6 -14.738  -0.113   0.883
   39   1HB   ARG   6          HB2       ARG   6 -17.284  -0.240   0.357
   40   2HB   ARG   6          HB1       ARG   6 -16.781  -0.312  -1.332
   41   1HG   ARG   6          HG2       ARG   6 -15.418  -2.290  -0.879
   42   2HG   ARG   6          HG1       ARG   6 -15.809  -2.195   0.839
   43   1HD   ARG   6          HD2       ARG   6 -17.640  -3.471   0.443
   44   2HD   ARG   6          HD1       ARG   6 -18.289  -2.168  -0.572
   45    HE   ARG   6           HE       ARG   6 -16.299  -4.065  -1.739
   46   1HH1  ARG   6          HH11      ARG   6 -17.655  -2.019  -3.442
   47   2HH1  ARG   6          HH12      ARG   6 -18.944  -2.928  -4.158
   48   1HH2  ARG   6          HH21      ARG   6 -18.734  -5.530  -1.861
   49   2HH2  ARG   6          HH22      ARG   6 -19.556  -4.927  -3.259
   50    H    ASP   7           HN       ASP   7 -15.341   1.762  -2.085
   51    HA   ASP   7           HA       ASP   7 -13.580   0.320  -3.831
   52   1HB   ASP   7          HB2       ASP   7 -15.334   1.939  -4.513
   53   2HB   ASP   7          HB1       ASP   7 -14.394   3.248  -3.796
   54    H    ILE   8           HN       ILE   8 -13.008   3.142  -1.695
   55    HA   ILE   8           HA       ILE   8 -10.192   3.351  -2.488
   56    HB   ILE   8           HB       ILE   8 -11.969   4.620  -0.383
   57   1HG1  ILE   8          HG12      ILE   8 -10.532   5.861  -2.745
   58   2HG1  ILE   8          HG11      ILE   8 -12.154   5.184  -2.874
   59   1HG2  ILE   8          HG21      ILE   8  -9.003   4.709  -0.705
   60   2HG2  ILE   8          HG22      ILE   8  -9.983   4.908   0.747
   61   3HG2  ILE   8          HG23      ILE   8  -9.816   6.242  -0.394
   62   1HD1  ILE   8          HD11      ILE   8 -12.692   6.701  -0.823
   63   2HD1  ILE   8          HD12      ILE   8 -12.575   7.447  -2.417
   64   3HD1  ILE   8          HD13      ILE   8 -11.227   7.567  -1.287
   65    H    TRP   9           HN       TRP   9 -12.023   1.960   0.233
   66    HA   TRP   9           HA       TRP   9  -9.907   1.399   2.030
   67   1HB   TRP   9          HB2       TRP   9 -12.504   1.115   2.157
   68   2HB   TRP   9          HB1       TRP   9 -12.193  -0.498   1.517
   69    HD1  TRP   9           HD1      TRP   9 -11.926  -2.235   3.338
   70    HE1  TRP   9           HE1      TRP   9 -11.040  -2.263   5.759
   71    HE3  TRP   9           HE3      TRP   9 -10.557   2.660   3.834
   72    HZ2  TRP   9           HZ2      TRP   9  -9.902  -0.449   7.656
   73    HZ3  TRP   9           HZ3      TRP   9  -9.576   3.482   5.956
   74    HH2  TRP   9           HH2      TRP   9  -9.247   1.936   7.866
   75    H    ASP  10           HN       ASP  10 -11.224  -0.724  -0.556
   76    HA   ASP  10           HA       ASP  10  -9.411  -2.894  -0.215
   77   1HB   ASP  10          HB2       ASP  10 -11.540  -2.191  -1.858
   78   2HB   ASP  10          HB1       ASP  10 -10.190  -2.284  -2.988
   79    H    TRP  11           HN       TRP  11  -9.169   0.011  -2.298
   80    HA   TRP  11           HA       TRP  11  -6.658  -0.605  -3.519
   81   1HB   TRP  11          HB2       TRP  11  -8.327   1.160  -4.177
   82   2HB   TRP  11          HB1       TRP  11  -7.820   2.101  -2.774
   83    HD1  TRP  11           HD1      TRP  11  -6.427   0.685  -6.068
   84    HE1  TRP  11           HE1      TRP  11  -4.399   2.112  -6.774
   85    HE3  TRP  11           HE3      TRP  11  -6.043   3.740  -1.997
   86    HZ2  TRP  11           HZ2      TRP  11  -2.822   4.267  -5.747
   87    HZ3  TRP  11           HZ3      TRP  11  -4.270   5.470  -1.885
   88    HH2  TRP  11           HH2      TRP  11  -2.661   5.736  -3.753
   89    H    ILE  12           HN       ILE  12  -7.431   1.079  -0.454
   90    HA   ILE  12           HA       ILE  12  -4.790   1.938   0.219
   91    HB   ILE  12           HB       ILE  12  -7.225   1.111   1.832
   92   1HG1  ILE  12          HG12      ILE  12  -6.044   3.872   1.594
   93   2HG1  ILE  12          HG11      ILE  12  -7.051   3.233   0.296
   94   1HG2  ILE  12          HG21      ILE  12  -4.521   2.069   2.749
   95   2HG2  ILE  12          HG22      ILE  12  -5.541   0.805   3.436
   96   3HG2  ILE  12          HG23      ILE  12  -5.967   2.501   3.662
   97   1HD1  ILE  12          HD11      ILE  12  -7.951   3.188   3.179
   98   2HD1  ILE  12          HD12      ILE  12  -8.934   2.996   1.728
   99   3HD1  ILE  12          HD13      ILE  12  -8.254   4.573   2.129
  100    H    CYS  13           HN       CYS  13  -6.494  -1.141   0.834
  101    HA   CYS  13           HA       CYS  13  -4.386  -2.414   2.336
  102   1HB   CYS  13          HB2       CYS  13  -6.847  -3.042   2.144
  103   2HB   CYS  13          HB1       CYS  13  -6.483  -3.680   0.541
  104    HG   CYS  13           HG       CYS  13  -4.989  -5.495   1.607
  105    H    GLU  14           HN       GLU  14  -5.206  -2.311  -1.142
  106    HA   GLU  14           HA       GLU  14  -3.244  -4.155  -2.091
  107   1HB   GLU  14          HB2       GLU  14  -4.860  -1.863  -3.143
  108   2HB   GLU  14          HB1       GLU  14  -3.555  -2.479  -4.149
  109   1HG   GLU  14          HG2       GLU  14  -4.629  -4.447  -4.575
  110   2HG   GLU  14          HG1       GLU  14  -5.284  -4.553  -2.941
  111    H    VAL  15           HN       VAL  15  -3.145  -0.619  -1.681
  112    HA   VAL  15           HA       VAL  15  -0.405  -0.267  -2.530
  113    HB   VAL  15           HB       VAL  15  -2.240   1.362  -0.733
  114   1HG1  VAL  15          HG11      VAL  15   0.502   1.863  -1.846
  115   2HG1  VAL  15          HG12      VAL  15  -0.162   2.300  -0.272
  116   3HG1  VAL  15          HG13      VAL  15  -0.620   3.217  -1.707
  117   1HG2  VAL  15          HG21      VAL  15  -2.436   0.786  -3.456
  118   2HG2  VAL  15          HG22      VAL  15  -1.648   2.364  -3.418
  119   3HG2  VAL  15          HG23      VAL  15  -3.209   2.138  -2.627
  120    H    LEU  16           HN       LEU  16  -1.952  -0.907   0.610
  121    HA   LEU  16           HA       LEU  16   0.266  -0.471   2.336
  122   1HB   LEU  16          HB2       LEU  16  -2.372  -1.463   2.442
  123   2HB   LEU  16          HB1       LEU  16  -1.369  -2.764   3.077
  124    HG   LEU  16           HG       LEU  16  -2.015  -1.313   4.915
  125   1HD1  LEU  16          HD11      LEU  16   0.851  -0.649   4.196
  126   2HD1  LEU  16          HD12      LEU  16   0.345  -2.229   4.796
  127   3HD1  LEU  16          HD13      LEU  16   0.155  -0.799   5.810
  128   1HD2  LEU  16          HD21      LEU  16  -1.341   1.087   4.908
  129   2HD2  LEU  16          HD22      LEU  16  -2.508   0.718   3.639
  130   3HD2  LEU  16          HD23      LEU  16  -0.801   0.909   3.239
  131    H    SER  17           HN       SER  17  -0.688  -3.353   0.455
  132    HA   SER  17           HA       SER  17   1.288  -5.175   1.423
  133   1HB   SER  17          HB2       SER  17  -0.788  -5.489  -0.106
  134   2HB   SER  17          HB1       SER  17   0.278  -5.017  -1.426
  135    HG   SER  17           HG       SER  17   1.618  -6.748  -0.898
  136    H    ASP  18           HN       ASP  18   1.357  -2.851  -1.295
  137    HA   ASP  18           HA       ASP  18   4.105  -3.474  -2.049
  138   1HB   ASP  18          HB2       ASP  18   2.481  -2.608  -3.656
  139   2HB   ASP  18          HB1       ASP  18   2.219  -1.173  -2.664
  140    H    PHE  19           HN       PHE  19   2.514  -1.098   0.055
  141    HA   PHE  19           HA       PHE  19   4.510   0.812   0.498
  142   1HB   PHE  19          HB2       PHE  19   2.097   0.169   1.569
  143   2HB   PHE  19          HB1       PHE  19   3.151  -0.319   2.892
  144    HD1  PHE  19           HD1      PHE  19   4.642   1.318   3.993
  145    HD2  PHE  19           HD2      PHE  19   1.857   2.500   0.944
  146    HE1  PHE  19           HE1      PHE  19   4.916   3.689   4.663
  147    HE2  PHE  19           HE2      PHE  19   2.131   4.873   1.615
  148    HZ   PHE  19           HZ       PHE  19   3.661   5.466   3.474
  149    H    LYS  20           HN       LYS  20   4.230  -2.426   1.959
  150    HA   LYS  20           HA       LYS  20   6.479  -2.275   3.729
  151   1HB   LYS  20          HB2       LYS  20   4.700  -3.979   3.809
  152   2HB   LYS  20          HB1       LYS  20   5.213  -4.605   2.242
  153   1HG   LYS  20          HG2       LYS  20   7.494  -4.485   3.991
  154   2HG   LYS  20          HG1       LYS  20   6.186  -5.343   4.808
  155   1HD   LYS  20          HD2       LYS  20   5.924  -6.556   2.481
  156   2HD   LYS  20          HD1       LYS  20   7.593  -6.033   2.247
  157   1HE   LYS  20          HE2       LYS  20   7.854  -7.032   4.727
  158   2HE   LYS  20          HE1       LYS  20   6.492  -8.029   4.179
  159   1HZ   LYS  20          HZ1       LYS  20   8.447  -9.123   3.457
  160   2HZ   LYS  20          HZ2       LYS  20   9.131  -7.688   2.862
  161   3HZ   LYS  20          HZ3       LYS  20   7.794  -8.384   2.079
  162    H    THR  21           HN       THR  21   6.221  -3.262   0.304
  163    HA   THR  21           HA       THR  21   9.086  -3.916   0.116
  164    HB   THR  21           HB       THR  21   7.066  -3.568  -2.116
  165    HG1  THR  21           HG1      THR  21   6.004  -5.126  -1.226
  166   1HG2  THR  21          HG21      THR  21   8.483  -4.892  -3.380
  167   2HG2  THR  21          HG22      THR  21   9.155  -5.706  -1.967
  168   3HG2  THR  21          HG23      THR  21   9.661  -4.064  -2.362
  169    H    TRP  22           HN       TRP  22   6.906  -1.305  -0.973
  170    HA   TRP  22           HA       TRP  22   8.719   0.192  -2.562
  171   1HB   TRP  22          HB2       TRP  22   6.154   0.420  -1.926
  172   2HB   TRP  22          HB1       TRP  22   6.773   1.511  -0.689
  173    HD1  TRP  22           HD1      TRP  22   6.240   1.203  -4.419
  174    HE1  TRP  22           HE1      TRP  22   6.825   3.444  -5.550
  175    HE3  TRP  22           HE3      TRP  22   8.351   3.661  -0.471
  176    HZ2  TRP  22           HZ2      TRP  22   8.031   5.949  -4.871
  177    HZ3  TRP  22           HZ3      TRP  22   9.208   5.970  -0.741
  178    HH2  TRP  22           HH2      TRP  22   9.051   7.116  -2.934
  179    H    LEU  23           HN       LEU  23   8.068   0.383   0.947
  180    HA   LEU  23           HA       LEU  23   9.941   2.458   1.563
  181   1HB   LEU  23          HB2       LEU  23   8.395   0.348   2.959
  182   2HB   LEU  23          HB1       LEU  23   9.828   0.907   3.819
  183    HG   LEU  23           HG       LEU  23   7.834   2.238   4.431
  184   1HD1  LEU  23          HD11      LEU  23   9.525   4.060   2.748
  185   2HD1  LEU  23          HD12      LEU  23  10.266   3.190   4.090
  186   3HD1  LEU  23          HD13      LEU  23   8.925   4.295   4.390
  187   1HD2  LEU  23          HD21      LEU  23   6.587   2.034   2.328
  188   2HD2  LEU  23          HD22      LEU  23   7.826   2.961   1.482
  189   3HD2  LEU  23          HD23      LEU  23   6.832   3.737   2.715
  190    H    LYS  24           HN       LYS  24  10.309  -1.105   1.483
  191    HA   LYS  24           HA       LYS  24  13.061  -1.152   2.366
  192   1HB   LYS  24          HB2       LYS  24  11.114  -2.989   1.003
  193   2HB   LYS  24          HB1       LYS  24  12.818  -3.443   1.028
  194   1HG   LYS  24          HG2       LYS  24  12.878  -3.345   3.446
  195   2HG   LYS  24          HG1       LYS  24  11.248  -2.676   3.503
  196   1HD   LYS  24          HD2       LYS  24  10.980  -4.993   3.983
  197   2HD   LYS  24          HD1       LYS  24  10.491  -4.809   2.298
  198   1HE   LYS  24          HE2       LYS  24  11.934  -6.639   2.116
  199   2HE   LYS  24          HE1       LYS  24  13.087  -5.313   1.866
  200   1HZ   LYS  24          HZ1       LYS  24  13.484  -5.281   4.271
  201   2HZ   LYS  24          HZ2       LYS  24  13.893  -6.784   3.593
  202   3HZ   LYS  24          HZ3       LYS  24  12.447  -6.609   4.466
  203    H    ALA  25           HN       ALA  25  11.500  -0.944  -0.825
  204    HA   ALA  25           HA       ALA  25  13.888  -1.239  -2.417
  205   1HB   ALA  25          HB1       ALA  25  11.398   0.334  -3.116
  206   2HB   ALA  25          HB2       ALA  25  11.398  -1.429  -3.045
  207   3HB   ALA  25          HB3       ALA  25  12.435  -0.592  -4.201
  208    H    LYS  26           HN       LYS  26  12.253   1.590  -0.980
  209    HA   LYS  26           HA       LYS  26  13.868   3.596  -2.292
  210   1HB   LYS  26          HB2       LYS  26  11.590   3.582  -0.854
  211   2HB   LYS  26          HB1       LYS  26  12.713   4.047   0.425
  212   1HG   LYS  26          HG2       LYS  26  13.599   5.729  -1.434
  213   2HG   LYS  26          HG1       LYS  26  11.969   5.519  -2.074
  214   1HD   LYS  26          HD2       LYS  26  10.974   6.273  -0.019
  215   2HD   LYS  26          HD1       LYS  26  12.528   6.233   0.815
  216   1HE   LYS  26          HE2       LYS  26  13.375   8.069  -0.532
  217   2HE   LYS  26          HE1       LYS  26  11.926   8.040  -1.555
  218   1HZ   LYS  26          HZ1       LYS  26  11.727   9.720   0.186
  219   2HZ   LYS  26          HZ2       LYS  26  11.960   8.535   1.380
  220   3HZ   LYS  26          HZ3       LYS  26  10.573   8.494   0.399
  221    H    LEU  27           HN       LEU  27  14.288   1.673   0.656
  222    HA   LEU  27           HA       LEU  27  16.606   3.255   1.565
  223   1HB   LEU  27          HB2       LEU  27  14.695   1.780   2.805
  224   2HB   LEU  27          HB1       LEU  27  15.969   0.568   2.685
  225    HG   LEU  27           HG       LEU  27  16.208   1.752   4.798
  226   1HD1  LEU  27          HD11      LEU  27  18.310   2.854   2.917
  227   2HD1  LEU  27          HD12      LEU  27  18.263   1.162   3.415
  228   3HD1  LEU  27          HD13      LEU  27  18.500   2.430   4.618
  229   1HD2  LEU  27          HD21      LEU  27  16.472   4.154   4.924
  230   2HD2  LEU  27          HD22      LEU  27  15.002   3.822   4.006
  231   3HD2  LEU  27          HD23      LEU  27  16.479   4.294   3.166
  232    H    MET  28           HN       MET  28  16.075  -0.135   0.479
  233    HA   MET  28           HA       MET  28  19.002  -0.431   0.020
  234   1HB   MET  28          HB2       MET  28  17.555  -2.091   1.287
  235   2HB   MET  28          HB1       MET  28  16.754  -2.452  -0.243
  236   1HG   MET  28          HG2       MET  28  18.455  -4.097  -0.061
  237   2HG   MET  28          HG1       MET  28  19.116  -2.899  -1.173
  238   1HE   MET  28          HE1       MET  28  21.186  -2.344  -1.176
  239   2HE   MET  28          HE2       MET  28  21.711  -3.907  -0.556
  240   3HE   MET  28          HE3       MET  28  22.409  -2.428   0.098
  241    HA   PRO  29           HA       PRO  29  18.046   0.449  -4.288
  242   1HB   PRO  29          HB2       PRO  29  20.646   0.500  -5.138
  243   2HB   PRO  29          HB1       PRO  29  19.870   1.861  -4.308
  244   1HG   PRO  29          HG2       PRO  29  21.746  -0.183  -3.245
  245   2HG   PRO  29          HG1       PRO  29  21.616   1.540  -2.860
  246   1HD   PRO  29          HD2       PRO  29  20.646  -0.467  -1.266
  247   2HD   PRO  29          HD1       PRO  29  20.015   1.193  -1.273
  248    H    GLN  30           HN       GLN  30  19.156  -0.606  -6.419
  249    HA   GLN  30           HA       GLN  30  19.512  -3.549  -5.939
  250   1HB   GLN  30          HB2       GLN  30  17.183  -2.695  -6.666
  251   2HB   GLN  30          HB1       GLN  30  17.937  -2.344  -8.222
  252   1HG   GLN  30          HG2       GLN  30  18.636  -4.695  -8.429
  253   2HG   GLN  30          HG1       GLN  30  17.914  -5.055  -6.861
  254   1HE2  GLN  30          HE21      GLN  30  17.026  -3.777 -10.114
  255   2HE2  GLN  30          HE22      GLN  30  15.434  -4.363 -10.069
  256    H    LEU  31           HN       LEU  31  21.037  -4.532  -7.291
  257    HA   LEU  31           HA       LEU  31  22.202  -2.941  -9.534
  258   1HB   LEU  31          HB2       LEU  31  23.353  -2.701  -7.200
  259   2HB   LEU  31          HB1       LEU  31  23.942  -4.336  -7.502
  260    HG   LEU  31           HG       LEU  31  24.270  -2.555  -9.812
  261   1HD1  LEU  31          HD11      LEU  31  25.796  -1.970  -7.254
  262   2HD1  LEU  31          HD12      LEU  31  24.608  -0.902  -8.002
  263   3HD1  LEU  31          HD13      LEU  31  26.122  -1.257  -8.834
  264   1HD2  LEU  31          HD21      LEU  31  25.288  -4.804  -9.579
  265   2HD2  LEU  31          HD22      LEU  31  26.197  -4.238  -8.177
  266   3HD2  LEU  31          HD23      LEU  31  26.520  -3.557  -9.771
  Start of MODEL    4
    1   1H    SER   1           HT1      SER   1 -26.804  -1.805  -8.678
    2   2H    SER   1           HT2      SER   1 -25.390  -2.139  -7.799
    3   3H    SER   1           HT3      SER   1 -25.433  -2.405  -9.476
    4    HA   SER   1           HA       SER   1 -25.666  -0.024  -9.883
    5   1HB   SER   1          HB2       SER   1 -25.392   0.161  -6.866
    6   2HB   SER   1          HB1       SER   1 -25.704   1.486  -7.983
    7    HG   SER   1           HG       SER   1 -27.651   0.852  -7.117
    8    H    GLY   2           HN       GLY   2 -23.674  -0.949  -7.029
    9   1HA   GLY   2          HA2       GLY   2 -21.260  -1.600  -8.020
   10   2HA   GLY   2          HA1       GLY   2 -21.276   0.127  -8.382
   11    H    SER   3           HN       SER   3 -19.696  -1.585  -6.387
   12    HA   SER   3           HA       SER   3 -20.504  -0.260  -3.834
   13   1HB   SER   3          HB2       SER   3 -18.743  -1.952  -2.973
   14   2HB   SER   3          HB1       SER   3 -20.248  -2.610  -3.608
   15    HG   SER   3           HG       SER   3 -18.960  -3.691  -4.879
   16    H    TRP   4           HN       TRP   4 -19.640   1.860  -4.449
   17    HA   TRP   4           HA       TRP   4 -16.963   2.352  -5.329
   18   1HB   TRP   4          HB2       TRP   4 -19.306   3.783  -4.409
   19   2HB   TRP   4          HB1       TRP   4 -17.858   4.494  -3.702
   20    HD1  TRP   4           HD1      TRP   4 -19.582   3.867  -7.034
   21    HE1  TRP   4           HE1      TRP   4 -18.417   5.267  -8.858
   22    HE3  TRP   4           HE3      TRP   4 -15.571   5.602  -4.390
   23    HZ2  TRP   4           HZ2      TRP   4 -16.092   6.904  -9.158
   24    HZ3  TRP   4           HZ3      TRP   4 -13.899   7.078  -5.469
   25    HH2  TRP   4           HH2      TRP   4 -14.154   7.732  -7.847
   26    H    LEU   5           HN       LEU   5 -18.351   1.961  -2.075
   27    HA   LEU   5           HA       LEU   5 -16.149   2.824  -0.501
   28   1HB   LEU   5          HB2       LEU   5 -18.566   1.151  -0.240
   29   2HB   LEU   5          HB1       LEU   5 -17.282   0.724   0.893
   30    HG   LEU   5           HG       LEU   5 -17.115   3.219   1.429
   31   1HD1  LEU   5          HD11      LEU   5 -19.754   3.184  -0.068
   32   2HD1  LEU   5          HD12      LEU   5 -18.307   4.087  -0.517
   33   3HD1  LEU   5          HD13      LEU   5 -19.197   4.516   0.944
   34   1HD2  LEU   5          HD21      LEU   5 -19.445   3.071   2.694
   35   2HD2  LEU   5          HD22      LEU   5 -18.113   2.009   3.144
   36   3HD2  LEU   5          HD23      LEU   5 -19.407   1.409   2.108
   37    H    ARG   6           HN       ARG   6 -16.881  -0.440  -1.801
   38    HA   ARG   6           HA       ARG   6 -14.646  -1.836  -0.739
   39   1HB   ARG   6          HB2       ARG   6 -16.758  -2.602  -2.063
   40   2HB   ARG   6          HB1       ARG   6 -15.785  -2.291  -3.501
   41   1HG   ARG   6          HG2       ARG   6 -13.987  -3.765  -2.400
   42   2HG   ARG   6          HG1       ARG   6 -15.252  -4.272  -1.282
   43   1HD   ARG   6          HD2       ARG   6 -15.886  -5.804  -2.831
   44   2HD   ARG   6          HD1       ARG   6 -16.404  -4.455  -3.861
   45    HE   ARG   6           HE       ARG   6 -14.170  -4.452  -4.885
   46   1HH1  ARG   6          HH21      ARG   6 -12.635  -5.682  -2.616
   47   2HH1  ARG   6          HH22      ARG   6 -12.333  -7.281  -3.207
   48   1HH2  ARG   6          HH11      ARG   6 -14.750  -7.100  -5.698
   49   2HH2  ARG   6          HH12      ARG   6 -13.537  -8.089  -4.956
   50    H    ASP   7           HN       ASP   7 -14.947   0.167  -3.669
   51    HA   ASP   7           HA       ASP   7 -12.389  -0.397  -4.828
   52   1HB   ASP   7          HB2       ASP   7 -14.446   0.792  -5.795
   53   2HB   ASP   7          HB1       ASP   7 -13.916   2.222  -4.909
   54    H    ILE   8           HN       ILE   8 -13.442   2.015  -2.416
   55    HA   ILE   8           HA       ILE   8 -10.823   3.296  -2.214
   56    HB   ILE   8           HB       ILE   8 -13.441   3.359  -0.702
   57   1HG1  ILE   8          HG12      ILE   8 -12.413   5.887  -1.632
   58   2HG1  ILE   8          HG11      ILE   8 -12.351   4.713  -2.947
   59   1HG2  ILE   8          HG21      ILE   8 -10.818   4.672   0.026
   60   2HG2  ILE   8          HG22      ILE   8 -11.892   3.731   1.062
   61   3HG2  ILE   8          HG23      ILE   8 -12.368   5.345   0.533
   62   1HD1  ILE   8          HD11      ILE   8 -14.588   6.127  -2.266
   63   2HD1  ILE   8          HD12      ILE   8 -14.835   4.639  -1.354
   64   3HD1  ILE   8          HD13      ILE   8 -14.614   4.576  -3.101
   65    H    TRP   9           HN       TRP   9 -12.696   1.051  -0.125
   66    HA   TRP   9           HA       TRP   9 -10.793   0.740   1.960
   67   1HB   TRP   9          HB2       TRP   9 -12.845  -1.132   0.740
   68   2HB   TRP   9          HB1       TRP   9 -11.982  -1.498   2.233
   69    HD1  TRP   9           HD1      TRP   9 -15.203  -0.525   1.493
   70    HE1  TRP   9           HE1      TRP   9 -16.221   1.161   3.153
   71    HE3  TRP   9           HE3      TRP   9 -10.947   1.187   3.743
   72    HZ2  TRP   9           HZ2      TRP   9 -15.351   2.992   5.166
   73    HZ3  TRP   9           HZ3      TRP   9 -11.073   2.899   5.528
   74    HH2  TRP   9           HH2      TRP   9 -13.268   3.803   6.242
   75    H    ASP  10           HN       ASP  10 -11.178  -1.139  -1.059
   76    HA   ASP  10           HA       ASP  10  -9.016  -2.972  -0.622
   77   1HB   ASP  10          HB2       ASP  10 -10.949  -3.010  -2.307
   78   2HB   ASP  10          HB1       ASP  10  -9.996  -1.885  -3.275
   79    H    TRP  11           HN       TRP  11  -9.135   0.202  -2.280
   80    HA   TRP  11           HA       TRP  11  -6.436   0.273  -3.214
   81   1HB   TRP  11          HB2       TRP  11  -8.230   1.800  -3.926
   82   2HB   TRP  11          HB1       TRP  11  -8.334   2.464  -2.298
   83    HD1  TRP  11           HD1      TRP  11  -6.127   2.457  -5.407
   84    HE1  TRP  11           HE1      TRP  11  -4.432   4.393  -5.228
   85    HE3  TRP  11           HE3      TRP  11  -7.030   3.983  -0.618
   86    HZ2  TRP  11           HZ2      TRP  11  -3.572   6.329  -3.306
   87    HZ3  TRP  11           HZ3      TRP  11  -5.762   5.871   0.361
   88    HH2  TRP  11           HH2      TRP  11  -4.035   7.046  -0.975
   89    H    ILE  12           HN       ILE  12  -7.870   1.312  -0.107
   90    HA   ILE  12           HA       ILE  12  -5.501   2.436   1.053
   91    HB   ILE  12           HB       ILE  12  -7.980   1.096   2.192
   92   1HG1  ILE  12          HG12      ILE  12  -7.281   4.028   2.270
   93   2HG1  ILE  12          HG11      ILE  12  -8.010   3.325   0.826
   94   1HG2  ILE  12          HG21      ILE  12  -7.325   2.371   4.305
   95   2HG2  ILE  12          HG22      ILE  12  -5.727   2.565   3.585
   96   3HG2  ILE  12          HG23      ILE  12  -6.346   0.952   3.938
   97   1HD1  ILE  12          HD11      ILE  12  -9.807   4.157   2.201
   98   2HD1  ILE  12          HD12      ILE  12  -9.158   3.349   3.629
   99   3HD1  ILE  12          HD13      ILE  12  -9.835   2.397   2.306
  100    H    CYS  13           HN       CYS  13  -6.720  -0.893   0.846
  101    HA   CYS  13           HA       CYS  13  -4.814  -2.088   2.664
  102   1HB   CYS  13          HB2       CYS  13  -7.044  -2.991   1.802
  103   2HB   CYS  13          HB1       CYS  13  -6.214  -3.350   0.288
  104    HG   CYS  13           HG       CYS  13  -4.824  -5.141   1.448
  105    H    GLU  14           HN       GLU  14  -4.829  -1.479  -0.855
  106    HA   GLU  14           HA       GLU  14  -2.399  -2.927  -1.442
  107   1HB   GLU  14          HB2       GLU  14  -4.391  -1.269  -2.744
  108   2HB   GLU  14          HB1       GLU  14  -2.776  -0.839  -3.302
  109   1HG   GLU  14          HG2       GLU  14  -3.182  -2.584  -4.747
  110   2HG   GLU  14          HG1       GLU  14  -2.531  -3.510  -3.394
  111    H    VAL  15           HN       VAL  15  -3.101   0.457  -0.649
  112    HA   VAL  15           HA       VAL  15  -0.461   1.519  -1.057
  113    HB   VAL  15           HB       VAL  15  -2.784   2.323   0.734
  114   1HG1  VAL  15          HG11      VAL  15  -0.431   4.021  -0.149
  115   2HG1  VAL  15          HG12      VAL  15  -0.577   3.301   1.454
  116   3HG1  VAL  15          HG13      VAL  15  -1.749   4.506   0.918
  117   1HG2  VAL  15          HG21      VAL  15  -2.079   3.903  -1.661
  118   2HG2  VAL  15          HG22      VAL  15  -3.661   3.372  -1.088
  119   3HG2  VAL  15          HG23      VAL  15  -2.640   2.268  -2.008
  120    H    LEU  16           HN       LEU  16  -2.000  -0.107   1.698
  121    HA   LEU  16           HA       LEU  16   0.158   0.458   3.580
  122   1HB   LEU  16          HB2       LEU  16  -2.330  -0.058   4.006
  123   2HB   LEU  16          HB1       LEU  16  -1.915  -1.745   3.705
  124    HG   LEU  16           HG       LEU  16  -0.058  -1.413   5.467
  125   1HD1  LEU  16          HD11      LEU  16  -0.072   1.000   5.612
  126   2HD1  LEU  16          HD12      LEU  16  -0.658   0.370   7.151
  127   3HD1  LEU  16          HD13      LEU  16  -1.798   1.017   5.971
  128   1HD2  LEU  16          HD21      LEU  16  -2.989  -1.290   6.247
  129   2HD2  LEU  16          HD22      LEU  16  -1.683  -1.787   7.323
  130   3HD2  LEU  16          HD23      LEU  16  -2.064  -2.750   5.897
  131    H    SER  17           HN       SER  17  -0.797  -2.353   1.577
  132    HA   SER  17           HA       SER  17   1.325  -4.094   2.502
  133   1HB   SER  17          HB2       SER  17  -0.890  -4.090   0.638
  134   2HB   SER  17          HB1       SER  17   0.531  -4.793  -0.126
  135    HG   SER  17           HG       SER  17  -1.051  -5.764   1.865
  136    H    ASP  18           HN       ASP  18   0.984  -1.900  -0.301
  137    HA   ASP  18           HA       ASP  18   3.470  -2.569  -1.575
  138   1HB   ASP  18          HB2       ASP  18   1.574  -1.356  -2.614
  139   2HB   ASP  18          HB1       ASP  18   1.876   0.015  -1.547
  140    H    PHE  19           HN       PHE  19   2.660  -0.337   1.066
  141    HA   PHE  19           HA       PHE  19   4.922   1.319   1.176
  142   1HB   PHE  19          HB2       PHE  19   2.741   0.632   2.779
  143   2HB   PHE  19          HB1       PHE  19   4.134   0.223   3.778
  144    HD1  PHE  19           HD1      PHE  19   6.004   1.996   4.004
  145    HD2  PHE  19           HD2      PHE  19   2.054   2.877   2.558
  146    HE1  PHE  19           HE1      PHE  19   6.355   4.398   4.507
  147    HE2  PHE  19           HE2      PHE  19   2.406   5.279   3.062
  148    HZ   PHE  19           HZ       PHE  19   4.556   6.040   4.036
  149    H    LYS  20           HN       LYS  20   4.562  -1.996   2.460
  150    HA   LYS  20           HA       LYS  20   7.179  -2.248   3.607
  151   1HB   LYS  20          HB2       LYS  20   5.161  -3.707   3.977
  152   2HB   LYS  20          HB1       LYS  20   5.398  -4.370   2.359
  153   1HG   LYS  20          HG2       LYS  20   7.741  -5.017   3.071
  154   2HG   LYS  20          HG1       LYS  20   7.290  -4.566   4.716
  155   1HD   LYS  20          HD2       LYS  20   5.384  -6.360   3.330
  156   2HD   LYS  20          HD1       LYS  20   6.957  -7.070   3.695
  157   1HE   LYS  20          HE2       LYS  20   6.720  -6.434   6.066
  158   2HE   LYS  20          HE1       LYS  20   5.150  -5.685   5.714
  159   1HZ   LYS  20          HZ1       LYS  20   4.354  -7.805   4.874
  160   2HZ   LYS  20          HZ2       LYS  20   4.886  -7.979   6.477
  161   3HZ   LYS  20          HZ3       LYS  20   5.853  -8.530   5.196
  162    H    THR  21           HN       THR  21   5.922  -3.150   0.368
  163    HA   THR  21           HA       THR  21   8.447  -4.149  -0.635
  164    HB   THR  21           HB       THR  21   6.208  -2.998  -2.305
  165    HG1  THR  21           HG1      THR  21   6.214  -5.456  -0.886
  166   1HG2  THR  21          HG21      THR  21   8.419  -4.145  -3.151
  167   2HG2  THR  21          HG22      THR  21   6.878  -4.549  -3.906
  168   3HG2  THR  21          HG23      THR  21   7.583  -5.634  -2.708
  169    H    TRP  22           HN       TRP  22   6.820  -0.980  -0.772
  170    HA   TRP  22           HA       TRP  22   8.459   0.384  -2.623
  171   1HB   TRP  22          HB2       TRP  22   6.346   1.065  -1.247
  172   2HB   TRP  22          HB1       TRP  22   7.500   1.594  -0.028
  173    HD1  TRP  22           HD1      TRP  22   6.066   2.525  -3.386
  174    HE1  TRP  22           HE1      TRP  22   7.044   4.792  -4.135
  175    HE3  TRP  22           HE3      TRP  22   9.718   3.119   0.134
  176    HZ2  TRP  22           HZ2      TRP  22   9.103   6.615  -3.346
  177    HZ3  TRP  22           HZ3      TRP  22  11.171   5.127   0.112
  178    HH2  TRP  22           HH2      TRP  22  10.868   6.873  -1.622
  179    H    LEU  23           HN       LEU  23   8.881   0.095   0.913
  180    HA   LEU  23           HA       LEU  23  11.426   1.443   1.045
  181   1HB   LEU  23          HB2       LEU  23   9.645  -0.190   2.756
  182   2HB   LEU  23          HB1       LEU  23  11.351  -0.258   3.203
  183    HG   LEU  23           HG       LEU  23  11.243   2.354   2.922
  184   1HD1  LEU  23          HD11      LEU  23   9.050   3.293   3.455
  185   2HD1  LEU  23          HD12      LEU  23   8.348   1.677   3.532
  186   3HD1  LEU  23          HD13      LEU  23   8.927   2.316   1.992
  187   1HD2  LEU  23          HD21      LEU  23  11.659   1.139   5.045
  188   2HD2  LEU  23          HD22      LEU  23   9.920   0.940   5.263
  189   3HD2  LEU  23          HD23      LEU  23  10.635   2.552   5.302
  190    H    LYS  24           HN       LYS  24  10.522  -1.999   0.707
  191    HA   LYS  24           HA       LYS  24  13.169  -3.099   0.908
  192   1HB   LYS  24          HB2       LYS  24  10.796  -4.173   0.971
  193   2HB   LYS  24          HB1       LYS  24  10.926  -4.201  -0.789
  194   1HG   LYS  24          HG2       LYS  24  13.198  -5.353  -0.436
  195   2HG   LYS  24          HG1       LYS  24  12.679  -5.600   1.232
  196   1HD   LYS  24          HD2       LYS  24  10.473  -6.495   0.012
  197   2HD   LYS  24          HD1       LYS  24  11.627  -6.822  -1.280
  198   1HE   LYS  24          HE2       LYS  24  12.139  -7.696   1.578
  199   2HE   LYS  24          HE1       LYS  24  11.290  -8.726   0.408
  200   1HZ   LYS  24          HZ1       LYS  24  13.162  -8.406  -1.133
  201   2HZ   LYS  24          HZ2       LYS  24  13.650  -9.169   0.305
  202   3HZ   LYS  24          HZ3       LYS  24  13.989  -7.523   0.057
  203    H    ALA  25           HN       ALA  25  11.233  -1.987  -1.883
  204    HA   ALA  25           HA       ALA  25  13.092  -2.727  -3.944
  205   1HB   ALA  25          HB1       ALA  25  11.691  -1.306  -5.312
  206   2HB   ALA  25          HB2       ALA  25  11.135  -0.409  -3.898
  207   3HB   ALA  25          HB3       ALA  25  10.643  -2.087  -4.127
  208    H    LYS  26           HN       LYS  26  12.777   0.199  -1.936
  209    HA   LYS  26           HA       LYS  26  14.725   1.785  -3.379
  210   1HB   LYS  26          HB2       LYS  26  13.227   1.852  -0.800
  211   2HB   LYS  26          HB1       LYS  26  14.675   2.853  -0.899
  212   1HG   LYS  26          HG2       LYS  26  13.245   3.183  -3.344
  213   2HG   LYS  26          HG1       LYS  26  12.087   3.360  -2.025
  214   1HD   LYS  26          HD2       LYS  26  12.876   5.517  -2.052
  215   2HD   LYS  26          HD1       LYS  26  14.109   4.816  -1.005
  216   1HE   LYS  26          HE2       LYS  26  15.721   4.769  -2.706
  217   2HE   LYS  26          HE1       LYS  26  14.500   4.771  -3.995
  218   1HZ   LYS  26          HZ1       LYS  26  13.874   7.005  -3.403
  219   2HZ   LYS  26          HZ2       LYS  26  15.548   6.966  -3.694
  220   3HZ   LYS  26          HZ3       LYS  26  14.961   7.018  -2.100
  221    H    LEU  27           HN       LEU  27  14.946  -0.600  -0.774
  222    HA   LEU  27           HA       LEU  27  17.887  -0.075  -0.539
  223   1HB   LEU  27          HB2       LEU  27  15.732  -0.528   1.285
  224   2HB   LEU  27          HB1       LEU  27  16.839  -1.893   1.420
  225    HG   LEU  27           HG       LEU  27  18.336   0.575   1.231
  226   1HD1  LEU  27          HD11      LEU  27  16.334   0.391   3.505
  227   2HD1  LEU  27          HD12      LEU  27  16.288   1.578   2.201
  228   3HD1  LEU  27          HD13      LEU  27  17.621   1.588   3.356
  229   1HD2  LEU  27          HD21      LEU  27  18.040  -1.251   3.624
  230   2HD2  LEU  27          HD22      LEU  27  19.459  -0.330   3.125
  231   3HD2  LEU  27          HD23      LEU  27  18.947  -1.736   2.192
  232    H    MET  28           HN       MET  28  17.128  -1.459  -2.842
  233    HA   MET  28           HA       MET  28  17.899  -4.291  -2.207
  234   1HB   MET  28          HB2       MET  28  15.500  -3.596  -3.074
  235   2HB   MET  28          HB1       MET  28  16.314  -3.502  -4.635
  236   1HG   MET  28          HG2       MET  28  15.863  -5.731  -4.750
  237   2HG   MET  28          HG1       MET  28  17.263  -5.889  -3.690
  238   1HE   MET  28          HE1       MET  28  13.275  -4.783  -2.867
  239   2HE   MET  28          HE2       MET  28  12.895  -6.497  -3.006
  240   3HE   MET  28          HE3       MET  28  13.741  -5.680  -4.318
  241    HA   PRO  29           HA       PRO  29  21.292  -3.060  -4.873
  242   1HB   PRO  29          HB2       PRO  29  22.742  -5.361  -4.576
  243   2HB   PRO  29          HB1       PRO  29  22.712  -4.070  -3.361
  244   1HG   PRO  29          HG2       PRO  29  21.295  -6.676  -3.389
  245   2HG   PRO  29          HG1       PRO  29  21.974  -5.775  -2.027
  246   1HD   PRO  29          HD2       PRO  29  19.296  -5.862  -2.667
  247   2HD   PRO  29          HD1       PRO  29  20.067  -4.575  -1.715
  248    H    GLN  30           HN       GLN  30  22.539  -4.439  -6.676
  249    HA   GLN  30           HA       GLN  30  22.468  -5.661  -8.691
  250   1HB   GLN  30          HB2       GLN  30  21.147  -7.191  -6.839
  251   2HB   GLN  30          HB1       GLN  30  19.900  -6.990  -8.069
  252   1HG   GLN  30          HG2       GLN  30  20.931  -8.472  -9.409
  253   2HG   GLN  30          HG1       GLN  30  22.418  -7.526  -9.357
  254   1HE2  GLN  30          HE21      GLN  30  21.103 -10.528  -8.484
  255   2HE2  GLN  30          HE22      GLN  30  22.266 -10.981  -7.334
  256    H    LEU  31           HN       LEU  31  18.993  -5.132  -7.909
  257    HA   LEU  31           HA       LEU  31  17.314  -3.978  -9.091
  258   1HB   LEU  31          HB2       LEU  31  19.567  -2.380  -8.932
  259   2HB   LEU  31          HB1       LEU  31  19.213  -2.364 -10.660
  260    HG   LEU  31           HG       LEU  31  16.738  -1.956  -9.847
  261   1HD1  LEU  31          HD11      LEU  31  18.325  -0.786  -7.544
  262   2HD1  LEU  31          HD12      LEU  31  17.405  -2.286  -7.432
  263   3HD1  LEU  31          HD13      LEU  31  16.573  -0.765  -7.751
  264   1HD2  LEU  31          HD21      LEU  31  17.930  -0.336 -11.183
  265   2HD2  LEU  31          HD22      LEU  31  18.960   0.108  -9.821
  266   3HD2  LEU  31          HD23      LEU  31  17.246   0.526  -9.804
  Start of MODEL    5
    1   1H    SER   1           HT1      SER   1 -24.620   6.026  -7.861
    2   2H    SER   1           HT2      SER   1 -23.990   5.112  -9.147
    3   3H    SER   1           HT3      SER   1 -23.425   6.690  -8.867
    4    HA   SER   1           HA       SER   1 -21.774   5.168  -8.049
    5   1HB   SER   1          HB2       SER   1 -22.008   5.886  -5.572
    6   2HB   SER   1          HB1       SER   1 -21.989   7.166  -6.781
    7    HG   SER   1           HG       SER   1 -23.708   7.484  -5.359
    8    H    GLY   2           HN       GLY   2 -21.269   3.240  -6.918
    9   1HA   GLY   2          HA2       GLY   2 -23.608   1.667  -5.903
   10   2HA   GLY   2          HA1       GLY   2 -22.326   0.925  -6.862
   11    H    SER   3           HN       SER   3 -20.394   0.354  -5.847
   12    HA   SER   3           HA       SER   3 -20.382   0.587  -2.870
   13   1HB   SER   3          HB2       SER   3 -19.978  -1.499  -4.683
   14   2HB   SER   3          HB1       SER   3 -18.351  -1.095  -4.145
   15    HG   SER   3           HG       SER   3 -19.878  -2.613  -2.869
   16    H    TRP   4           HN       TRP   4 -19.695   2.976  -3.463
   17    HA   TRP   4           HA       TRP   4 -17.071   3.527  -4.499
   18   1HB   TRP   4          HB2       TRP   4 -19.341   4.899  -3.456
   19   2HB   TRP   4          HB1       TRP   4 -17.939   5.462  -2.550
   20    HD1  TRP   4           HD1      TRP   4 -19.170   5.079  -6.180
   21    HE1  TRP   4           HE1      TRP   4 -17.957   6.828  -7.636
   22    HE3  TRP   4           HE3      TRP   4 -15.956   7.035  -2.723
   23    HZ2  TRP   4           HZ2      TRP   4 -15.898   8.794  -7.371
   24    HZ3  TRP   4           HZ3      TRP   4 -14.382   8.842  -3.352
   25    HH2  TRP   4           HH2      TRP   4 -14.348   9.723  -5.669
   26    H    LEU   5           HN       LEU   5 -18.258   3.226  -1.124
   27    HA   LEU   5           HA       LEU   5 -15.781   3.713   0.203
   28   1HB   LEU   5          HB2       LEU   5 -18.347   2.262   0.802
   29   2HB   LEU   5          HB1       LEU   5 -17.007   2.126   1.939
   30    HG   LEU   5           HG       LEU   5 -17.071   4.842   1.378
   31   1HD1  LEU   5          HD11      LEU   5 -19.204   4.662   0.218
   32   2HD1  LEU   5          HD12      LEU   5 -19.469   5.449   1.772
   33   3HD1  LEU   5          HD13      LEU   5 -19.896   3.752   1.560
   34   1HD2  LEU   5          HD21      LEU   5 -16.745   3.777   3.583
   35   2HD2  LEU   5          HD22      LEU   5 -18.451   3.334   3.624
   36   3HD2  LEU   5          HD23      LEU   5 -17.980   5.033   3.669
   37    H    ARG   6           HN       ARG   6 -17.166   0.700  -1.117
   38    HA   ARG   6           HA       ARG   6 -15.111  -1.072  -0.118
   39   1HB   ARG   6          HB2       ARG   6 -17.500  -1.505  -1.086
   40   2HB   ARG   6          HB1       ARG   6 -16.701  -1.456  -2.659
   41   1HG   ARG   6          HG2       ARG   6 -15.744  -3.488  -2.359
   42   2HG   ARG   6          HG1       ARG   6 -15.284  -3.120  -0.698
   43   1HD   ARG   6          HD2       ARG   6 -18.160  -3.719  -1.440
   44   2HD   ARG   6          HD1       ARG   6 -17.015  -5.004  -1.000
   45    HE   ARG   6           HE       ARG   6 -18.001  -2.876   0.809
   46   1HH1  ARG   6          HH21      ARG   6 -17.947  -5.817   1.477
   47   2HH1  ARG   6          HH22      ARG   6 -16.591  -5.912   2.552
   48   1HH2  ARG   6          HH11      ARG   6 -15.312  -2.813   1.627
   49   2HH2  ARG   6          HH12      ARG   6 -15.092  -4.203   2.638
   50    H    ASP   7           HN       ASP   7 -15.544   0.736  -3.159
   51    HA   ASP   7           HA       ASP   7 -13.369  -0.272  -4.668
   52   1HB   ASP   7          HB2       ASP   7 -15.260   1.322  -5.306
   53   2HB   ASP   7          HB1       ASP   7 -14.323   2.605  -4.539
   54    H    ILE   8           HN       ILE   8 -13.444   2.317  -2.209
   55    HA   ILE   8           HA       ILE   8 -10.604   2.963  -2.511
   56    HB   ILE   8           HB       ILE   8 -12.682   3.640  -0.397
   57   1HG1  ILE   8          HG12      ILE   8 -11.715   5.611  -2.416
   58   2HG1  ILE   8          HG11      ILE   8 -12.794   4.344  -3.002
   59   1HG2  ILE   8          HG21      ILE   8  -9.853   4.537  -0.875
   60   2HG2  ILE   8          HG22      ILE   8 -10.660   4.162   0.648
   61   3HG2  ILE   8          HG23      ILE   8 -11.019   5.672  -0.192
   62   1HD1  ILE   8          HD11      ILE   8 -13.326   6.504  -0.990
   63   2HD1  ILE   8          HD12      ILE   8 -14.209   4.982  -0.868
   64   3HD1  ILE   8          HD13      ILE   8 -14.331   5.956  -2.332
   65    H    TRP   9           HN       TRP   9 -12.558   0.900  -0.381
   66    HA   TRP   9           HA       TRP   9 -10.771   0.386   1.733
   67   1HB   TRP   9          HB2       TRP   9 -13.041  -0.439   1.707
   68   2HB   TRP   9          HB1       TRP   9 -12.742  -1.374   0.244
   69    HD1  TRP   9           HD1      TRP   9 -11.944  -3.781   0.542
   70    HE1  TRP   9           HE1      TRP   9 -11.148  -5.214   2.531
   71    HE3  TRP   9           HE3      TRP   9 -11.674  -0.188   4.162
   72    HZ2  TRP   9           HZ2      TRP   9 -10.487  -4.879   5.295
   73    HZ3  TRP   9           HZ3      TRP   9 -10.959  -0.773   6.461
   74    HH2  TRP   9           HH2      TRP   9 -10.366  -3.111   7.032
   75    H    ASP  10           HN       ASP  10 -11.015  -1.458  -1.351
   76    HA   ASP  10           HA       ASP  10  -8.810  -3.207  -0.881
   77   1HB   ASP  10          HB2       ASP  10 -10.595  -3.381  -2.647
   78   2HB   ASP  10          HB1       ASP  10  -9.807  -2.061  -3.513
   79    H    TRP  11           HN       TRP  11  -8.945   0.032  -2.385
   80    HA   TRP  11           HA       TRP  11  -6.201   0.182  -3.209
   81   1HB   TRP  11          HB2       TRP  11  -7.985   1.686  -3.984
   82   2HB   TRP  11          HB1       TRP  11  -8.197   2.308  -2.348
   83    HD1  TRP  11           HD1      TRP  11  -5.726   2.334  -5.270
   84    HE1  TRP  11           HE1      TRP  11  -4.098   4.307  -4.954
   85    HE3  TRP  11           HE3      TRP  11  -7.133   3.904  -0.621
   86    HZ2  TRP  11           HZ2      TRP  11  -3.474   6.291  -2.988
   87    HZ3  TRP  11           HZ3      TRP  11  -6.007   5.835   0.451
   88    HH2  TRP  11           HH2      TRP  11  -4.181   7.028  -0.727
   89    H    ILE  12           HN       ILE  12  -7.819   1.035  -0.139
   90    HA   ILE  12           HA       ILE  12  -5.586   2.258   1.172
   91    HB   ILE  12           HB       ILE  12  -8.008   0.693   2.126
   92   1HG1  ILE  12          HG12      ILE  12  -7.507   3.637   2.488
   93   2HG1  ILE  12          HG11      ILE  12  -8.065   3.038   0.927
   94   1HG2  ILE  12          HG21      ILE  12  -7.479   1.920   4.341
   95   2HG2  ILE  12          HG22      ILE  12  -5.848   2.104   3.698
   96   3HG2  ILE  12          HG23      ILE  12  -6.518   0.493   3.957
   97   1HD1  ILE  12          HD11      ILE  12  -9.464   2.213   3.464
   98   2HD1  ILE  12          HD12      ILE  12 -10.089   2.239   1.815
   99   3HD1  ILE  12          HD13      ILE  12  -9.848   3.751   2.690
  100    H    CYS  13           HN       CYS  13  -6.614  -1.138   0.879
  101    HA   CYS  13           HA       CYS  13  -4.596  -2.258   2.620
  102   1HB   CYS  13          HB2       CYS  13  -6.828  -3.223   1.712
  103   2HB   CYS  13          HB1       CYS  13  -5.911  -3.614   0.257
  104    HG   CYS  13           HG       CYS  13  -5.910  -5.548   2.233
  105    H    GLU  14           HN       GLU  14  -4.717  -1.441  -0.833
  106    HA   GLU  14           HA       GLU  14  -2.309  -2.792  -1.640
  107   1HB   GLU  14          HB2       GLU  14  -4.126  -0.633  -2.638
  108   2HB   GLU  14          HB1       GLU  14  -2.565  -0.828  -3.427
  109   1HG   GLU  14          HG2       GLU  14  -3.085  -3.258  -3.747
  110   2HG   GLU  14          HG1       GLU  14  -4.696  -2.955  -3.090
  111    H    VAL  15           HN       VAL  15  -2.984   0.550  -0.629
  112    HA   VAL  15           HA       VAL  15  -0.361   1.632  -0.926
  113    HB   VAL  15           HB       VAL  15  -2.612   2.259   1.021
  114   1HG1  VAL  15          HG11      VAL  15  -0.409   3.224   1.705
  115   2HG1  VAL  15          HG12      VAL  15  -1.584   4.459   1.256
  116   3HG1  VAL  15          HG13      VAL  15  -0.301   4.014   0.131
  117   1HG2  VAL  15          HG21      VAL  15  -2.544   2.441  -1.757
  118   2HG2  VAL  15          HG22      VAL  15  -2.135   4.073  -1.229
  119   3HG2  VAL  15          HG23      VAL  15  -3.639   3.324  -0.694
  120    H    LEU  16           HN       LEU  16  -1.878  -0.131   1.774
  121    HA   LEU  16           HA       LEU  16   0.366   0.190   3.603
  122   1HB   LEU  16          HB2       LEU  16  -2.144  -0.290   4.042
  123   2HB   LEU  16          HB1       LEU  16  -1.770  -1.960   3.627
  124    HG   LEU  16           HG       LEU  16  -1.697  -1.298   6.125
  125   1HD1  LEU  16          HD11      LEU  16   0.909  -2.489   5.252
  126   2HD1  LEU  16          HD12      LEU  16  -0.590  -3.322   4.841
  127   3HD1  LEU  16          HD13      LEU  16  -0.188  -3.011   6.530
  128   1HD2  LEU  16          HD21      LEU  16  -0.313   0.797   5.588
  129   2HD2  LEU  16          HD22      LEU  16   1.056  -0.294   5.375
  130   3HD2  LEU  16          HD23      LEU  16   0.249  -0.188   6.939
  131    H    SER  17           HN       SER  17  -0.755  -2.395   1.406
  132    HA   SER  17           HA       SER  17   1.309  -4.305   2.079
  133   1HB   SER  17          HB2       SER  17  -0.921  -4.737   0.985
  134   2HB   SER  17          HB1       SER  17  -0.303  -3.970  -0.474
  135    HG   SER  17           HG       SER  17   0.097  -6.113  -0.721
  136    H    ASP  18           HN       ASP  18   1.000  -1.822  -0.472
  137    HA   ASP  18           HA       ASP  18   3.446  -2.507  -1.853
  138   1HB   ASP  18          HB2       ASP  18   1.492  -1.244  -2.774
  139   2HB   ASP  18          HB1       ASP  18   1.914   0.110  -1.725
  140    H    PHE  19           HN       PHE  19   2.679  -0.138   0.723
  141    HA   PHE  19           HA       PHE  19   5.103   1.300   0.805
  142   1HB   PHE  19          HB2       PHE  19   2.786   0.833   2.425
  143   2HB   PHE  19          HB1       PHE  19   4.204   0.746   3.465
  144    HD1  PHE  19           HD1      PHE  19   2.744   2.841   0.716
  145    HD2  PHE  19           HD2      PHE  19   5.159   2.725   4.268
  146    HE1  PHE  19           HE1      PHE  19   2.935   5.313   0.668
  147    HE2  PHE  19           HE2      PHE  19   5.350   5.197   4.219
  148    HZ   PHE  19           HZ       PHE  19   4.238   6.490   2.419
  149    H    LYS  20           HN       LYS  20   4.339  -1.898   2.168
  150    HA   LYS  20           HA       LYS  20   6.764  -2.274   3.663
  151   1HB   LYS  20          HB2       LYS  20   4.370  -3.598   3.222
  152   2HB   LYS  20          HB1       LYS  20   5.544  -4.664   2.449
  153   1HG   LYS  20          HG2       LYS  20   6.739  -5.007   4.446
  154   2HG   LYS  20          HG1       LYS  20   6.071  -3.560   5.202
  155   1HD   LYS  20          HD2       LYS  20   4.677  -5.038   6.237
  156   2HD   LYS  20          HD1       LYS  20   3.788  -4.973   4.715
  157   1HE   LYS  20          HE2       LYS  20   4.917  -6.963   3.894
  158   2HE   LYS  20          HE1       LYS  20   5.994  -6.980   5.304
  159   1HZ   LYS  20          HZ1       LYS  20   3.032  -7.253   5.341
  160   2HZ   LYS  20          HZ2       LYS  20   4.005  -7.125   6.728
  161   3HZ   LYS  20          HZ3       LYS  20   4.158  -8.469   5.700
  162    H    THR  21           HN       THR  21   5.910  -3.063   0.267
  163    HA   THR  21           HA       THR  21   8.603  -4.191  -0.200
  164    HB   THR  21           HB       THR  21   6.424  -5.094  -1.148
  165    HG1  THR  21           HG1      THR  21   7.997  -5.894  -2.292
  166   1HG2  THR  21          HG21      THR  21   5.635  -3.945  -3.247
  167   2HG2  THR  21          HG22      THR  21   6.644  -2.568  -2.808
  168   3HG2  THR  21          HG23      THR  21   5.304  -3.048  -1.766
  169    H    TRP  22           HN       TRP  22   6.878  -1.162  -0.744
  170    HA   TRP  22           HA       TRP  22   8.534   0.007  -2.760
  171   1HB   TRP  22          HB2       TRP  22   6.322   0.804  -1.723
  172   2HB   TRP  22          HB1       TRP  22   7.285   1.420  -0.384
  173    HD1  TRP  22           HD1      TRP  22   6.292   2.169  -3.930
  174    HE1  TRP  22           HE1      TRP  22   7.354   4.399  -4.675
  175    HE3  TRP  22           HE3      TRP  22   9.499   2.969  -0.036
  176    HZ2  TRP  22           HZ2      TRP  22   9.302   6.272  -3.743
  177    HZ3  TRP  22           HZ3      TRP  22  10.944   4.981   0.010
  178    HH2  TRP  22           HH2      TRP  22  10.849   6.632  -1.837
  179    H    LEU  23           HN       LEU  23   8.716   0.253   0.799
  180    HA   LEU  23           HA       LEU  23  11.167   1.729   0.940
  181   1HB   LEU  23          HB2       LEU  23   9.269   0.417   2.668
  182   2HB   LEU  23          HB1       LEU  23  10.900  -0.006   3.189
  183    HG   LEU  23           HG       LEU  23  11.482   2.446   3.111
  184   1HD1  LEU  23          HD11      LEU  23   8.713   2.526   2.107
  185   2HD1  LEU  23          HD12      LEU  23  10.014   3.701   1.914
  186   3HD1  LEU  23          HD13      LEU  23   9.041   3.696   3.386
  187   1HD2  LEU  23          HD21      LEU  23   9.206   1.584   4.926
  188   2HD2  LEU  23          HD22      LEU  23  10.226   2.997   5.201
  189   3HD2  LEU  23          HD23      LEU  23  10.930   1.380   5.240
  190    H    LYS  24           HN       LYS  24  10.515  -1.781   0.856
  191    HA   LYS  24           HA       LYS  24  13.205  -2.678   1.327
  192   1HB   LYS  24          HB2       LYS  24  10.647  -3.747   0.217
  193   2HB   LYS  24          HB1       LYS  24  12.114  -4.651  -0.156
  194   1HG   LYS  24          HG2       LYS  24  12.572  -4.321   2.440
  195   2HG   LYS  24          HG1       LYS  24  10.816  -4.154   2.495
  196   1HD   LYS  24          HD2       LYS  24  10.447  -6.335   1.767
  197   2HD   LYS  24          HD1       LYS  24  12.006  -6.435   0.951
  198   1HE   LYS  24          HE2       LYS  24  12.479  -7.729   2.824
  199   2HE   LYS  24          HE1       LYS  24  12.900  -6.133   3.475
  200   1HZ   LYS  24          HZ1       LYS  24  11.339  -7.275   4.936
  201   2HZ   LYS  24          HZ2       LYS  24  10.226  -7.431   3.662
  202   3HZ   LYS  24          HZ3       LYS  24  10.623  -5.891   4.265
  203    H    ALA  25           HN       ALA  25  11.423  -1.888  -1.667
  204    HA   ALA  25           HA       ALA  25  13.453  -2.683  -3.532
  205   1HB   ALA  25          HB1       ALA  25  12.120  -1.382  -5.089
  206   2HB   ALA  25          HB2       ALA  25  11.416  -0.445  -3.772
  207   3HB   ALA  25          HB3       ALA  25  11.014  -2.153  -3.953
  208    H    LYS  26           HN       LYS  26  12.962   0.295  -1.664
  209    HA   LYS  26           HA       LYS  26  14.943   1.876  -3.090
  210   1HB   LYS  26          HB2       LYS  26  12.908   2.356  -1.341
  211   2HB   LYS  26          HB1       LYS  26  14.291   2.465  -0.252
  212   1HG   LYS  26          HG2       LYS  26  14.891   3.845  -2.715
  213   2HG   LYS  26          HG1       LYS  26  13.368   4.442  -2.057
  214   1HD   LYS  26          HD2       LYS  26  14.528   4.681   0.177
  215   2HD   LYS  26          HD1       LYS  26  16.045   4.313  -0.644
  216   1HE   LYS  26          HE2       LYS  26  14.402   6.429  -1.931
  217   2HE   LYS  26          HE1       LYS  26  15.101   6.852  -0.356
  218   1HZ   LYS  26          HZ1       LYS  26  16.581   5.689  -2.663
  219   2HZ   LYS  26          HZ2       LYS  26  17.252   6.036  -1.139
  220   3HZ   LYS  26          HZ3       LYS  26  16.685   7.296  -2.128
  221    H    LEU  27           HN       LEU  27  14.992  -0.141  -0.138
  222    HA   LEU  27           HA       LEU  27  17.968  -0.183  -0.300
  223   1HB   LEU  27          HB2       LEU  27  18.096   0.338   2.117
  224   2HB   LEU  27          HB1       LEU  27  17.307   1.638   1.227
  225    HG   LEU  27           HG       LEU  27  15.263  -0.187   1.979
  226   1HD1  LEU  27          HD11      LEU  27  15.520  -0.130   4.456
  227   2HD1  LEU  27          HD12      LEU  27  17.142   0.533   4.249
  228   3HD1  LEU  27          HD13      LEU  27  16.774  -1.093   3.675
  229   1HD2  LEU  27          HD21      LEU  27  16.033   2.505   3.153
  230   2HD2  LEU  27          HD22      LEU  27  14.441   1.751   3.242
  231   3HD2  LEU  27          HD23      LEU  27  15.083   2.274   1.685
  232    H    MET  28           HN       MET  28  18.705  -2.246  -0.033
  233    HA   MET  28           HA       MET  28  17.108  -4.182   1.585
  234   1HB   MET  28          HB2       MET  28  17.352  -4.036  -1.294
  235   2HB   MET  28          HB1       MET  28  18.071  -5.540  -0.716
  236   1HG   MET  28          HG2       MET  28  15.985  -5.961   0.612
  237   2HG   MET  28          HG1       MET  28  15.270  -4.534  -0.139
  238   1HE   MET  28          HE1       MET  28  15.721  -5.179  -3.807
  239   2HE   MET  28          HE2       MET  28  15.667  -4.051  -2.454
  240   3HE   MET  28          HE3       MET  28  14.183  -4.821  -3.010
  241    HA   PRO  29           HA       PRO  29  21.644  -4.425   2.421
  242   1HB   PRO  29          HB2       PRO  29  21.402  -4.593   5.141
  243   2HB   PRO  29          HB1       PRO  29  21.463  -3.052   4.266
  244   1HG   PRO  29          HG2       PRO  29  19.125  -4.497   5.395
  245   2HG   PRO  29          HG1       PRO  29  19.447  -2.759   5.314
  246   1HD   PRO  29          HD2       PRO  29  17.749  -4.091   3.622
  247   2HD   PRO  29          HD1       PRO  29  18.567  -2.566   3.219
  248    H    GLN  30           HN       GLN  30  22.676  -6.148   4.106
  249    HA   GLN  30           HA       GLN  30  21.504  -8.764   3.361
  250   1HB   GLN  30          HB2       GLN  30  24.087  -7.641   3.789
  251   2HB   GLN  30          HB1       GLN  30  23.872  -8.910   4.995
  252   1HG   GLN  30          HG2       GLN  30  23.242 -10.503   3.230
  253   2HG   GLN  30          HG1       GLN  30  23.416  -9.238   2.014
  254   1HE2  GLN  30          HE21      GLN  30  25.158 -11.572   3.933
  255   2HE2  GLN  30          HE22      GLN  30  26.711 -11.168   3.378
  256    H    LEU  31           HN       LEU  31  21.768 -10.494   5.233
  257    HA   LEU  31           HA       LEU  31  21.037  -9.401   7.902
  258   1HB   LEU  31          HB2       LEU  31  19.127 -10.070   6.022
  259   2HB   LEU  31          HB1       LEU  31  19.272 -11.561   6.952
  260    HG   LEU  31           HG       LEU  31  19.212  -9.141   8.621
  261   1HD1  LEU  31          HD11      LEU  31  16.717  -9.934   7.089
  262   2HD1  LEU  31          HD12      LEU  31  17.675  -8.492   6.745
  263   3HD1  LEU  31          HD13      LEU  31  16.853  -8.656   8.298
  264   1HD2  LEU  31          HD21      LEU  31  17.604 -10.526   9.880
  265   2HD2  LEU  31          HD22      LEU  31  19.048 -11.457   9.481
  266   3HD2  LEU  31          HD23      LEU  31  17.564 -11.691   8.556
  Start of MODEL    6
    1   1H    SER   1           HT1      SER   1 -24.151   7.024  -7.538
    2   2H    SER   1           HT2      SER   1 -25.222   5.735  -7.253
    3   3H    SER   1           HT3      SER   1 -23.548   5.454  -7.324
    4    HA   SER   1           HA       SER   1 -23.215   6.777  -5.311
    5   1HB   SER   1          HB2       SER   1 -26.236   6.984  -5.520
    6   2HB   SER   1          HB1       SER   1 -25.274   7.593  -4.176
    7    HG   SER   1           HG       SER   1 -25.596   9.269  -5.609
    8    H    GLY   2           HN       GLY   2 -23.765   5.861  -3.085
    9   1HA   GLY   2          HA2       GLY   2 -24.985   4.034  -1.868
   10   2HA   GLY   2          HA1       GLY   2 -24.754   3.042  -3.310
   11    H    SER   3           HN       SER   3 -22.979   1.732  -3.330
   12    HA   SER   3           HA       SER   3 -21.085   1.831  -1.091
   13   1HB   SER   3          HB2       SER   3 -22.162  -0.152  -2.556
   14   2HB   SER   3          HB1       SER   3 -20.687   0.089  -3.488
   15    HG   SER   3           HG       SER   3 -21.047  -1.025  -1.028
   16    H    TRP   4           HN       TRP   4 -19.732   3.636  -1.296
   17    HA   TRP   4           HA       TRP   4 -18.192   3.908  -3.859
   18   1HB   TRP   4          HB2       TRP   4 -19.798   5.711  -2.531
   19   2HB   TRP   4          HB1       TRP   4 -18.195   6.138  -1.929
   20    HD1  TRP   4           HD1      TRP   4 -20.374   6.293  -4.987
   21    HE1  TRP   4           HE1      TRP   4 -19.120   7.508  -6.883
   22    HE3  TRP   4           HE3      TRP   4 -15.706   6.544  -2.938
   23    HZ2  TRP   4           HZ2      TRP   4 -16.484   8.461  -7.455
   24    HZ3  TRP   4           HZ3      TRP   4 -13.843   7.609  -4.176
   25    HH2  TRP   4           HH2      TRP   4 -14.226   8.566  -6.431
   26    H    LEU   5           HN       LEU   5 -17.945   3.884  -0.304
   27    HA   LEU   5           HA       LEU   5 -15.105   4.354  -0.151
   28   1HB   LEU   5          HB2       LEU   5 -17.195   3.107   1.649
   29   2HB   LEU   5          HB1       LEU   5 -15.514   3.272   2.155
   30    HG   LEU   5           HG       LEU   5 -16.996   5.654   1.061
   31   1HD1  LEU   5          HD11      LEU   5 -16.958   4.856   3.984
   32   2HD1  LEU   5          HD12      LEU   5 -18.339   4.574   2.924
   33   3HD1  LEU   5          HD13      LEU   5 -17.805   6.221   3.255
   34   1HD2  LEU   5          HD21      LEU   5 -14.772   5.318   3.103
   35   2HD2  LEU   5          HD22      LEU   5 -15.389   6.853   2.492
   36   3HD2  LEU   5          HD23      LEU   5 -14.539   5.751   1.410
   37    H    ARG   6           HN       ARG   6 -17.019   1.475  -0.815
   38    HA   ARG   6           HA       ARG   6 -15.257  -0.605  -0.085
   39   1HB   ARG   6          HB2       ARG   6 -17.673  -0.449  -1.216
   40   2HB   ARG   6          HB1       ARG   6 -16.736  -0.719  -2.687
   41   1HG   ARG   6          HG2       ARG   6 -15.890  -2.796  -1.894
   42   2HG   ARG   6          HG1       ARG   6 -16.407  -2.462  -0.240
   43   1HD   ARG   6          HD2       ARG   6 -18.796  -2.505  -1.035
   44   2HD   ARG   6          HD1       ARG   6 -18.205  -3.029  -2.625
   45    HE   ARG   6           HE       ARG   6 -17.622  -4.566  -0.116
   46   1HH1  ARG   6          HH11      ARG   6 -16.392  -5.022  -2.959
   47   2HH1  ARG   6          HH12      ARG   6 -17.298  -6.413  -3.452
   48   1HH2  ARG   6          HH21      ARG   6 -19.690  -6.063  -0.954
   49   2HH2  ARG   6          HH22      ARG   6 -19.172  -7.006  -2.312
   50    H    ASP   7           HN       ASP   7 -15.364   1.203  -3.190
   51    HA   ASP   7           HA       ASP   7 -13.197  -0.147  -4.474
   52   1HB   ASP   7          HB2       ASP   7 -14.857   1.357  -5.551
   53   2HB   ASP   7          HB1       ASP   7 -14.148   2.732  -4.703
   54    H    ILE   8           HN       ILE   8 -13.251   2.590  -2.206
   55    HA   ILE   8           HA       ILE   8 -10.395   3.166  -2.479
   56    HB   ILE   8           HB       ILE   8 -12.492   3.973  -0.432
   57   1HG1  ILE   8          HG12      ILE   8 -11.450   5.864  -2.480
   58   2HG1  ILE   8          HG11      ILE   8 -12.507   4.586  -3.077
   59   1HG2  ILE   8          HG21      ILE   8  -9.620   4.708  -0.840
   60   2HG2  ILE   8          HG22      ILE   8 -10.535   4.548   0.659
   61   3HG2  ILE   8          HG23      ILE   8 -10.738   5.980  -0.348
   62   1HD1  ILE   8          HD11      ILE   8 -14.335   5.345  -1.880
   63   2HD1  ILE   8          HD12      ILE   8 -13.511   6.875  -2.174
   64   3HD1  ILE   8          HD13      ILE   8 -13.341   6.067  -0.616
   65    H    TRP   9           HN       TRP   9 -12.447   1.346  -0.189
   66    HA   TRP   9           HA       TRP   9 -10.575   0.863   1.869
   67   1HB   TRP   9          HB2       TRP   9 -12.970   0.295   1.946
   68   2HB   TRP   9          HB1       TRP   9 -12.727  -0.940   0.712
   69    HD1  TRP   9           HD1      TRP   9 -13.247  -3.045   2.132
   70    HE1  TRP   9           HE1      TRP   9 -12.110  -4.171   4.153
   71    HE3  TRP   9           HE3      TRP   9  -9.969   0.640   3.482
   72    HZ2  TRP   9           HZ2      TRP   9 -10.083  -3.590   6.082
   73    HZ3  TRP   9           HZ3      TRP   9  -8.450   0.324   5.409
   74    HH2  TRP   9           HH2      TRP   9  -8.502  -1.784   6.712
   75    H    ASP  10           HN       ASP  10 -11.182  -1.161  -1.045
   76    HA   ASP  10           HA       ASP  10  -9.118  -3.079  -0.545
   77   1HB   ASP  10          HB2       ASP  10 -10.871  -3.464  -2.172
   78   2HB   ASP  10          HB1       ASP  10 -10.418  -2.019  -3.077
   79    H    TRP  11           HN       TRP  11  -9.099  -0.002  -2.359
   80    HA   TRP  11           HA       TRP  11  -6.417  -0.083  -3.325
   81   1HB   TRP  11          HB2       TRP  11  -8.187   1.498  -4.032
   82   2HB   TRP  11          HB1       TRP  11  -8.169   2.240  -2.434
   83    HD1  TRP  11           HD1      TRP  11  -6.155   1.985  -5.654
   84    HE1  TRP  11           HE1      TRP  11  -4.334   3.811  -5.647
   85    HE3  TRP  11           HE3      TRP  11  -6.663   3.718  -0.879
   86    HZ2  TRP  11           HZ2      TRP  11  -3.239   5.751  -3.850
   87    HZ3  TRP  11           HZ3      TRP  11  -5.221   5.553  -0.045
   88    HH2  TRP  11           HH2      TRP  11  -3.510   6.570  -1.523
   89    H    ILE  12           HN       ILE  12  -7.756   1.103  -0.228
   90    HA   ILE  12           HA       ILE  12  -5.331   2.164   0.872
   91    HB   ILE  12           HB       ILE  12  -7.847   0.952   2.064
   92   1HG1  ILE  12          HG12      ILE  12  -7.014   3.842   2.159
   93   2HG1  ILE  12          HG11      ILE  12  -7.732   3.191   0.685
   94   1HG2  ILE  12          HG21      ILE  12  -6.453   0.749   3.906
   95   2HG2  ILE  12          HG22      ILE  12  -6.963   2.427   4.093
   96   3HG2  ILE  12          HG23      ILE  12  -5.392   2.056   3.381
   97   1HD1  ILE  12          HD11      ILE  12  -9.334   4.227   2.431
   98   2HD1  ILE  12          HD12      ILE  12  -9.033   2.769   3.376
   99   3HD1  ILE  12          HD13      ILE  12  -9.760   2.647   1.774
  100    H    CYS  13           HN       CYS  13  -6.666  -1.126   0.772
  101    HA   CYS  13           HA       CYS  13  -4.758  -2.331   2.585
  102   1HB   CYS  13          HB2       CYS  13  -7.048  -3.170   1.810
  103   2HB   CYS  13          HB1       CYS  13  -6.267  -3.625   0.296
  104    HG   CYS  13           HG       CYS  13  -4.802  -5.333   1.581
  105    H    GLU  14           HN       GLU  14  -4.880  -1.920  -0.969
  106    HA   GLU  14           HA       GLU  14  -2.516  -3.453  -1.566
  107   1HB   GLU  14          HB2       GLU  14  -4.464  -1.721  -2.870
  108   2HB   GLU  14          HB1       GLU  14  -2.844  -1.458  -3.511
  109   1HG   GLU  14          HG2       GLU  14  -3.494  -3.233  -4.842
  110   2HG   GLU  14          HG1       GLU  14  -2.791  -4.124  -3.492
  111    H    VAL  15           HN       VAL  15  -3.068  -0.047  -0.794
  112    HA   VAL  15           HA       VAL  15  -0.402   0.909  -1.340
  113    HB   VAL  15           HB       VAL  15  -2.670   1.843   0.454
  114   1HG1  VAL  15          HG11      VAL  15  -1.520   4.016   0.540
  115   2HG1  VAL  15          HG12      VAL  15  -0.167   3.349  -0.371
  116   3HG1  VAL  15          HG13      VAL  15  -0.511   2.759   1.254
  117   1HG2  VAL  15          HG21      VAL  15  -1.823   3.317  -1.983
  118   2HG2  VAL  15          HG22      VAL  15  -3.444   3.001  -1.366
  119   3HG2  VAL  15          HG23      VAL  15  -2.581   1.747  -2.256
  120    H    LEU  16           HN       LEU  16  -1.911  -0.662   1.446
  121    HA   LEU  16           HA       LEU  16   0.239  -0.100   3.326
  122   1HB   LEU  16          HB2       LEU  16  -2.238  -0.680   3.738
  123   2HB   LEU  16          HB1       LEU  16  -1.781  -2.352   3.414
  124    HG   LEU  16           HG       LEU  16   0.074  -1.981   5.182
  125   1HD1  LEU  16          HD11      LEU  16  -0.585  -0.261   6.895
  126   2HD1  LEU  16          HD12      LEU  16  -1.783   0.349   5.753
  127   3HD1  LEU  16          HD13      LEU  16  -0.065   0.435   5.360
  128   1HD2  LEU  16          HD21      LEU  16  -1.923  -3.395   5.536
  129   2HD2  LEU  16          HD22      LEU  16  -2.848  -1.970   6.011
  130   3HD2  LEU  16          HD23      LEU  16  -1.501  -2.519   7.007
  131    H    SER  17           HN       SER  17  -0.696  -2.972   1.379
  132    HA   SER  17           HA       SER  17   1.499  -4.634   2.245
  133   1HB   SER  17          HB2       SER  17   0.840  -5.903   0.135
  134   2HB   SER  17          HB1       SER  17  -0.480  -5.595   1.259
  135    HG   SER  17           HG       SER  17   0.077  -4.453  -1.240
  136    H    ASP  18           HN       ASP  18   1.056  -2.429  -0.525
  137    HA   ASP  18           HA       ASP  18   3.616  -3.004  -1.760
  138   1HB   ASP  18          HB2       ASP  18   1.611  -2.038  -2.892
  139   2HB   ASP  18          HB1       ASP  18   1.800  -0.572  -1.931
  140    H    PHE  19           HN       PHE  19   2.500  -0.710   0.708
  141    HA   PHE  19           HA       PHE  19   4.603   1.151   0.792
  142   1HB   PHE  19          HB2       PHE  19   2.413   0.385   2.347
  143   2HB   PHE  19          HB1       PHE  19   3.786   0.172   3.428
  144    HD1  PHE  19           HD1      PHE  19   5.471   2.108   3.631
  145    HD2  PHE  19           HD2      PHE  19   1.559   2.545   1.909
  146    HE1  PHE  19           HE1      PHE  19   5.593   4.560   3.976
  147    HE2  PHE  19           HE2      PHE  19   1.683   4.996   2.253
  148    HZ   PHE  19           HZ       PHE  19   3.698   6.005   3.287
  149    H    LYS  20           HN       LYS  20   4.459  -2.072   2.344
  150    HA   LYS  20           HA       LYS  20   7.033  -1.958   3.602
  151   1HB   LYS  20          HB2       LYS  20   4.964  -3.563   3.841
  152   2HB   LYS  20          HB1       LYS  20   5.775  -4.496   2.582
  153   1HG   LYS  20          HG2       LYS  20   6.595  -5.407   4.614
  154   2HG   LYS  20          HG1       LYS  20   7.879  -4.331   4.064
  155   1HD   LYS  20          HD2       LYS  20   6.327  -2.609   5.526
  156   2HD   LYS  20          HD1       LYS  20   6.122  -4.111   6.427
  157   1HE   LYS  20          HE2       LYS  20   8.175  -3.841   7.340
  158   2HE   LYS  20          HE1       LYS  20   8.900  -3.853   5.721
  159   1HZ   LYS  20          HZ1       LYS  20   7.566  -1.486   6.932
  160   2HZ   LYS  20          HZ2       LYS  20   8.429  -1.535   5.467
  161   3HZ   LYS  20          HZ3       LYS  20   9.243  -1.732   6.945
  162    H    THR  21           HN       THR  21   6.041  -3.410   0.451
  163    HA   THR  21           HA       THR  21   8.725  -4.234  -0.255
  164    HB   THR  21           HB       THR  21   7.587  -4.303  -2.591
  165    HG1  THR  21           HG1      THR  21   5.326  -4.110  -2.474
  166   1HG2  THR  21          HG21      THR  21   7.824  -6.246  -1.068
  167   2HG2  THR  21          HG22      THR  21   6.307  -6.295  -1.967
  168   3HG2  THR  21          HG23      THR  21   6.314  -5.790  -0.277
  169    H    TRP  22           HN       TRP  22   6.818  -1.291  -0.864
  170    HA   TRP  22           HA       TRP  22   8.526  -0.013  -2.757
  171   1HB   TRP  22          HB2       TRP  22   6.194   0.615  -1.808
  172   2HB   TRP  22          HB1       TRP  22   7.079   1.373  -0.489
  173    HD1  TRP  22           HD1      TRP  22   6.175   1.812  -4.123
  174    HE1  TRP  22           HE1      TRP  22   7.065   4.085  -4.961
  175    HE3  TRP  22           HE3      TRP  22   9.078   3.149  -0.139
  176    HZ2  TRP  22           HZ2      TRP  22   8.778   6.189  -4.059
  177    HZ3  TRP  22           HZ3      TRP  22  10.325   5.291  -0.154
  178    HH2  TRP  22           HH2      TRP  22  10.179   6.810  -2.108
  179    H    LEU  23           HN       LEU  23   8.487   0.169   0.808
  180    HA   LEU  23           HA       LEU  23  10.773   1.852   1.140
  181   1HB   LEU  23          HB2       LEU  23   9.011   0.139   2.721
  182   2HB   LEU  23          HB1       LEU  23  10.667   0.105   3.329
  183    HG   LEU  23           HG       LEU  23  10.453   2.746   2.936
  184   1HD1  LEU  23          HD11      LEU  23   8.102   2.439   2.059
  185   2HD1  LEU  23          HD12      LEU  23   8.233   3.561   3.414
  186   3HD1  LEU  23          HD13      LEU  23   7.632   1.924   3.680
  187   1HD2  LEU  23          HD21      LEU  23  11.012   1.645   5.066
  188   2HD2  LEU  23          HD22      LEU  23   9.313   1.240   5.314
  189   3HD2  LEU  23          HD23      LEU  23   9.829   2.926   5.330
  190    H    LYS  24           HN       LYS  24  10.488  -1.665   0.683
  191    HA   LYS  24           HA       LYS  24  13.239  -2.289   1.324
  192   1HB   LYS  24          HB2       LYS  24  11.061  -3.741   1.118
  193   2HB   LYS  24          HB1       LYS  24  11.503  -3.843  -0.587
  194   1HG   LYS  24          HG2       LYS  24  13.852  -4.528   0.287
  195   2HG   LYS  24          HG1       LYS  24  13.028  -4.841   1.814
  196   1HD   LYS  24          HD2       LYS  24  11.430  -5.998  -0.229
  197   2HD   LYS  24          HD1       LYS  24  13.097  -6.476  -0.552
  198   1HE   LYS  24          HE2       LYS  24  12.999  -6.841   2.156
  199   2HE   LYS  24          HE1       LYS  24  11.330  -7.241   1.701
  200   1HZ   LYS  24          HZ1       LYS  24  12.804  -9.168   1.481
  201   2HZ   LYS  24          HZ2       LYS  24  13.773  -8.311   0.379
  202   3HZ   LYS  24          HZ3       LYS  24  12.168  -8.703  -0.021
  203    H    ALA  25           HN       ALA  25  11.747  -0.826  -1.442
  204    HA   ALA  25           HA       ALA  25  14.070  -1.495  -3.198
  205   1HB   ALA  25          HB1       ALA  25  12.234  -1.864  -4.505
  206   2HB   ALA  25          HB2       ALA  25  12.251  -0.113  -4.715
  207   3HB   ALA  25          HB3       ALA  25  11.199  -0.846  -3.503
  208    H    LYS  26           HN       LYS  26  12.385   1.239  -1.667
  209    HA   LYS  26           HA       LYS  26  14.359   3.127  -2.896
  210   1HB   LYS  26          HB2       LYS  26  11.526   3.179  -2.083
  211   2HB   LYS  26          HB1       LYS  26  12.430   4.623  -1.627
  212   1HG   LYS  26          HG2       LYS  26  11.616   5.082  -3.810
  213   2HG   LYS  26          HG1       LYS  26  13.308   4.639  -4.041
  214   1HD   LYS  26          HD2       LYS  26  11.677   2.259  -4.076
  215   2HD   LYS  26          HD1       LYS  26  11.037   3.429  -5.228
  216   1HE   LYS  26          HE2       LYS  26  14.005   2.876  -5.133
  217   2HE   LYS  26          HE1       LYS  26  12.918   1.815  -6.051
  218   1HZ   LYS  26          HZ1       LYS  26  12.901   4.776  -6.295
  219   2HZ   LYS  26          HZ2       LYS  26  12.097   3.652  -7.286
  220   3HZ   LYS  26          HZ3       LYS  26  13.792   3.768  -7.329
  221    H    LEU  27           HN       LEU  27  12.998   2.113   0.254
  222    HA   LEU  27           HA       LEU  27  14.631   4.030   1.757
  223   1HB   LEU  27          HB2       LEU  27  12.332   2.475   2.156
  224   2HB   LEU  27          HB1       LEU  27  13.525   1.786   3.255
  225    HG   LEU  27           HG       LEU  27  12.270   3.593   4.359
  226   1HD1  LEU  27          HD11      LEU  27  14.124   4.666   5.318
  227   2HD1  LEU  27          HD12      LEU  27  15.004   4.719   3.791
  228   3HD1  LEU  27          HD13      LEU  27  14.832   3.193   4.658
  229   1HD2  LEU  27          HD21      LEU  27  11.923   4.815   2.099
  230   2HD2  LEU  27          HD22      LEU  27  13.507   5.529   2.399
  231   3HD2  LEU  27          HD23      LEU  27  12.186   5.807   3.533
  232    H    MET  28           HN       MET  28  14.842   0.574   0.930
  233    HA   MET  28           HA       MET  28  16.875  -0.253   2.715
  234   1HB   MET  28          HB2       MET  28  15.791  -1.045   0.075
  235   2HB   MET  28          HB1       MET  28  17.414  -1.641   0.422
  236   1HG   MET  28          HG2       MET  28  15.557  -1.888   2.692
  237   2HG   MET  28          HG1       MET  28  15.085  -2.835   1.282
  238   1HE   MET  28          HE1       MET  28  17.441  -5.606   0.936
  239   2HE   MET  28          HE2       MET  28  16.691  -4.345  -0.038
  240   3HE   MET  28          HE3       MET  28  15.736  -5.196   1.174
  241    HA   PRO  29           HA       PRO  29  20.180   1.174  -0.453
  242   1HB   PRO  29          HB2       PRO  29  19.402   2.816  -2.501
  243   2HB   PRO  29          HB1       PRO  29  19.424   1.047  -2.630
  244   1HG   PRO  29          HG2       PRO  29  17.134   2.884  -2.166
  245   2HG   PRO  29          HG1       PRO  29  17.214   1.399  -3.127
  246   1HD   PRO  29          HD2       PRO  29  16.108   1.539  -0.633
  247   2HD   PRO  29          HD1       PRO  29  16.803   0.058  -1.325
  248    H    GLN  30           HN       GLN  30  21.103   3.515  -1.122
  249    HA   GLN  30           HA       GLN  30  19.968   5.556   0.768
  250   1HB   GLN  30          HB2       GLN  30  22.788   4.542   0.352
  251   2HB   GLN  30          HB1       GLN  30  22.474   6.100   1.116
  252   1HG   GLN  30          HG2       GLN  30  20.723   4.429   2.447
  253   2HG   GLN  30          HG1       GLN  30  22.124   3.389   2.193
  254   1HE2  GLN  30          HE21      GLN  30  20.935   6.167   3.963
  255   2HE2  GLN  30          HE22      GLN  30  22.351   6.450   4.855
  256    H    LEU  31           HN       LEU  31  19.465   5.443  -2.081
  257    HA   LEU  31           HA       LEU  31  20.629   8.059  -2.868
  258   1HB   LEU  31          HB2       LEU  31  21.923   5.810  -3.610
  259   2HB   LEU  31          HB1       LEU  31  20.736   5.887  -4.912
  260    HG   LEU  31           HG       LEU  31  22.202   8.395  -4.187
  261   1HD1  LEU  31          HD11      LEU  31  23.359   6.131  -5.844
  262   2HD1  LEU  31          HD12      LEU  31  23.996   6.731  -4.312
  263   3HD1  LEU  31          HD13      LEU  31  24.032   7.758  -5.745
  264   1HD2  LEU  31          HD21      LEU  31  21.172   7.147  -6.755
  265   2HD2  LEU  31          HD22      LEU  31  22.003   8.700  -6.670
  266   3HD2  LEU  31          HD23      LEU  31  20.445   8.490  -5.873
  Start of MODEL    7
    1   1H    SER   1           HT1      SER   1 -28.508   3.346  -2.718
    2   2H    SER   1           HT2      SER   1 -27.321   4.468  -3.189
    3   3H    SER   1           HT3      SER   1 -27.643   4.210  -1.541
    4    HA   SER   1           HA       SER   1 -26.786   1.957  -1.675
    5   1HB   SER   1          HB2       SER   1 -26.326   2.724  -4.578
    6   2HB   SER   1          HB1       SER   1 -25.941   1.170  -3.845
    7    HG   SER   1           HG       SER   1 -27.946   1.056  -4.875
    8    H    GLY   2           HN       GLY   2 -24.848   2.119  -0.616
    9   1HA   GLY   2          HA2       GLY   2 -22.952   4.270  -1.462
   10   2HA   GLY   2          HA1       GLY   2 -23.038   3.594   0.166
   11    H    SER   3           HN       SER   3 -22.194   2.762  -3.193
   12    HA   SER   3           HA       SER   3 -20.568   0.466  -2.185
   13   1HB   SER   3          HB2       SER   3 -22.371   0.686  -4.225
   14   2HB   SER   3          HB1       SER   3 -20.866   0.994  -5.087
   15    HG   SER   3           HG       SER   3 -21.427  -1.252  -4.940
   16    H    TRP   4           HN       TRP   4 -19.531   3.065  -1.661
   17    HA   TRP   4           HA       TRP   4 -17.335   3.358  -3.681
   18   1HB   TRP   4          HB2       TRP   4 -19.124   5.158  -2.356
   19   2HB   TRP   4          HB1       TRP   4 -17.488   5.521  -1.809
   20    HD1  TRP   4           HD1      TRP   4 -19.297   4.843  -5.168
   21    HE1  TRP   4           HE1      TRP   4 -18.239   6.358  -6.967
   22    HE3  TRP   4           HE3      TRP   4 -15.657   7.107  -2.388
   23    HZ2  TRP   4           HZ2      TRP   4 -16.128   8.274  -7.196
   24    HZ3  TRP   4           HZ3      TRP   4 -14.139   8.769  -3.421
   25    HH2  TRP   4           HH2      TRP   4 -14.369   9.356  -5.819
   26    H    LEU   5           HN       LEU   5 -18.053   2.732  -0.285
   27    HA   LEU   5           HA       LEU   5 -15.501   3.252   0.877
   28   1HB   LEU   5          HB2       LEU   5 -17.836   2.646   1.880
   29   2HB   LEU   5          HB1       LEU   5 -17.310   0.975   1.684
   30    HG   LEU   5           HG       LEU   5 -15.456   2.921   3.016
   31   1HD1  LEU   5          HD11      LEU   5 -17.664   3.247   4.108
   32   2HD1  LEU   5          HD12      LEU   5 -16.503   2.472   5.187
   33   3HD1  LEU   5          HD13      LEU   5 -17.757   1.510   4.402
   34   1HD2  LEU   5          HD21      LEU   5 -15.068   0.739   4.361
   35   2HD2  LEU   5          HD22      LEU   5 -14.518   0.770   2.686
   36   3HD2  LEU   5          HD23      LEU   5 -16.025  -0.045   3.103
   37    H    ARG   6           HN       ARG   6 -16.798   0.284  -0.654
   38    HA   ARG   6           HA       ARG   6 -14.558  -1.420  -0.145
   39   1HB   ARG   6          HB2       ARG   6 -16.865  -2.038  -0.962
   40   2HB   ARG   6          HB1       ARG   6 -16.427  -1.387  -2.540
   41   1HG   ARG   6          HG2       ARG   6 -15.745  -3.520  -2.962
   42   2HG   ARG   6          HG1       ARG   6 -14.304  -3.037  -2.069
   43   1HD   ARG   6          HD2       ARG   6 -16.552  -3.933  -0.359
   44   2HD   ARG   6          HD1       ARG   6 -15.851  -5.195  -1.392
   45    HE   ARG   6           HE       ARG   6 -13.612  -3.954  -0.402
   46   1HH1  ARG   6          HH11      ARG   6 -14.733  -6.670   0.533
   47   2HH1  ARG   6          HH12      ARG   6 -14.757  -6.433   2.249
   48   1HH2  ARG   6          HH21      ARG   6 -14.393  -2.980   2.039
   49   2HH2  ARG   6          HH22      ARG   6 -14.563  -4.335   3.104
   50    H    ASP   7           HN       ASP   7 -15.228   0.866  -2.800
   51    HA   ASP   7           HA       ASP   7 -12.983   0.195  -4.461
   52   1HB   ASP   7          HB2       ASP   7 -14.886   1.451  -5.277
   53   2HB   ASP   7          HB1       ASP   7 -14.642   2.706  -4.063
   54    H    ILE   8           HN       ILE   8 -13.361   2.557  -1.802
   55    HA   ILE   8           HA       ILE   8 -10.625   3.581  -2.113
   56    HB   ILE   8           HB       ILE   8 -12.849   3.970  -0.083
   57   1HG1  ILE   8          HG12      ILE   8 -11.737   5.933  -2.101
   58   2HG1  ILE   8          HG11      ILE   8 -13.052   4.828  -2.503
   59   1HG2  ILE   8          HG21      ILE   8 -10.034   4.985  -0.170
   60   2HG2  ILE   8          HG22      ILE   8 -11.040   4.588   1.223
   61   3HG2  ILE   8          HG23      ILE   8 -11.299   6.098   0.351
   62   1HD1  ILE   8          HD11      ILE   8 -14.521   5.812  -0.953
   63   2HD1  ILE   8          HD12      ILE   8 -13.661   7.200  -1.618
   64   3HD1  ILE   8          HD13      ILE   8 -13.208   6.556  -0.040
   65    H    TRP   9           HN       TRP   9 -12.356   1.590   0.335
   66    HA   TRP   9           HA       TRP   9 -10.147   1.180   2.091
   67   1HB   TRP   9          HB2       TRP   9 -12.617   0.701   2.443
   68   2HB   TRP   9          HB1       TRP   9 -12.397  -0.757   1.474
   69    HD1  TRP   9           HD1      TRP   9 -12.167  -2.767   3.006
   70    HE1  TRP   9           HE1      TRP   9 -10.958  -3.276   5.223
   71    HE3  TRP   9           HE3      TRP   9 -10.208   1.839   4.025
   72    HZ2  TRP   9           HZ2      TRP   9  -9.369  -1.912   7.172
   73    HZ3  TRP   9           HZ3      TRP   9  -8.853   2.206   6.066
   74    HH2  TRP   9           HH2      TRP   9  -8.431   0.337   7.640
   75    H    ASP  10           HN       ASP  10 -11.202  -0.685  -0.775
   76    HA   ASP  10           HA       ASP  10  -9.359  -2.857  -0.527
   77   1HB   ASP  10          HB2       ASP  10 -11.357  -2.658  -2.050
   78   2HB   ASP  10          HB1       ASP  10 -10.428  -1.536  -3.045
   79    H    TRP  11           HN       TRP  11  -9.054   0.281  -2.239
   80    HA   TRP  11           HA       TRP  11  -6.395  -0.180  -3.247
   81   1HB   TRP  11          HB2       TRP  11  -8.074   1.527  -4.027
   82   2HB   TRP  11          HB1       TRP  11  -7.774   2.434  -2.544
   83    HD1  TRP  11           HD1      TRP  11  -5.896   1.148  -5.655
   84    HE1  TRP  11           HE1      TRP  11  -3.884   2.701  -6.084
   85    HE3  TRP  11           HE3      TRP  11  -6.250   4.198  -1.575
   86    HZ2  TRP  11           HZ2      TRP  11  -2.596   4.945  -4.861
   87    HZ3  TRP  11           HZ3      TRP  11  -4.621   6.033  -1.231
   88    HH2  TRP  11           HH2      TRP  11  -2.795   6.409  -2.867
   89    H    ILE  12           HN       ILE  12  -7.627   1.251  -0.214
   90    HA   ILE  12           HA       ILE  12  -5.166   2.279   0.807
   91    HB   ILE  12           HB       ILE  12  -7.716   1.188   2.022
   92   1HG1  ILE  12          HG12      ILE  12  -6.556   3.984   2.095
   93   2HG1  ILE  12          HG11      ILE  12  -7.565   3.420   0.764
   94   1HG2  ILE  12          HG21      ILE  12  -6.208   0.746   3.785
   95   2HG2  ILE  12          HG22      ILE  12  -6.812   2.360   4.157
   96   3HG2  ILE  12          HG23      ILE  12  -5.223   2.162   3.417
   97   1HD1  ILE  12          HD11      ILE  12  -8.416   3.315   3.671
   98   2HD1  ILE  12          HD12      ILE  12  -9.419   3.003   2.255
   99   3HD1  ILE  12          HD13      ILE  12  -8.834   4.635   2.578
  100    H    CYS  13           HN       CYS  13  -6.587  -0.986   0.924
  101    HA   CYS  13           HA       CYS  13  -4.506  -2.144   2.597
  102   1HB   CYS  13          HB2       CYS  13  -6.840  -3.000   2.332
  103   2HB   CYS  13          HB1       CYS  13  -6.478  -3.402   0.653
  104    HG   CYS  13           HG       CYS  13  -4.805  -5.209   1.464
  105    H    GLU  14           HN       GLU  14  -5.089  -1.859  -0.904
  106    HA   GLU  14           HA       GLU  14  -2.989  -3.560  -1.842
  107   1HB   GLU  14          HB2       GLU  14  -5.022  -2.048  -2.898
  108   2HB   GLU  14          HB1       GLU  14  -3.610  -1.112  -3.380
  109   1HG   GLU  14          HG2       GLU  14  -3.689  -4.097  -3.793
  110   2HG   GLU  14          HG1       GLU  14  -4.416  -3.001  -4.969
  111    H    VAL  15           HN       VAL  15  -3.059  -0.100  -1.063
  112    HA   VAL  15           HA       VAL  15  -0.329   0.468  -1.826
  113    HB   VAL  15           HB       VAL  15  -2.256   1.800   0.113
  114   1HG1  VAL  15          HG11      VAL  15   0.478   2.526  -0.866
  115   2HG1  VAL  15          HG12      VAL  15  -0.263   2.814   0.708
  116   3HG1  VAL  15          HG13      VAL  15  -0.703   3.821  -0.671
  117   1HG2  VAL  15          HG21      VAL  15  -2.331   1.537  -2.691
  118   2HG2  VAL  15          HG22      VAL  15  -1.732   3.170  -2.395
  119   3HG2  VAL  15          HG23      VAL  15  -3.275   2.658  -1.710
  120    H    LEU  16           HN       LEU  16  -1.868  -0.603   1.200
  121    HA   LEU  16           HA       LEU  16   0.301  -0.239   3.002
  122   1HB   LEU  16          HB2       LEU  16  -2.147  -0.914   3.396
  123   2HB   LEU  16          HB1       LEU  16  -1.650  -2.556   2.991
  124    HG   LEU  16           HG       LEU  16   0.161  -2.301   4.778
  125   1HD1  LEU  16          HD11      LEU  16  -0.494  -0.584   6.552
  126   2HD1  LEU  16          HD12      LEU  16  -1.530   0.148   5.326
  127   3HD1  LEU  16          HD13      LEU  16   0.215   0.072   5.077
  128   1HD2  LEU  16          HD21      LEU  16  -1.837  -3.646   5.173
  129   2HD2  LEU  16          HD22      LEU  16  -2.769  -2.200   5.561
  130   3HD2  LEU  16          HD23      LEU  16  -1.468  -2.724   6.630
  131    H    SER  17           HN       SER  17  -0.558  -3.165   1.088
  132    HA   SER  17           HA       SER  17   1.734  -4.716   1.858
  133   1HB   SER  17          HB2       SER  17   1.112  -5.956  -0.293
  134   2HB   SER  17          HB1       SER  17  -0.189  -5.774   0.878
  135    HG   SER  17           HG       SER  17   0.254  -4.412  -1.554
  136    H    ASP  18           HN       ASP  18   1.147  -2.449  -0.825
  137    HA   ASP  18           HA       ASP  18   3.650  -2.864  -2.192
  138   1HB   ASP  18          HB2       ASP  18   1.967  -1.797  -3.432
  139   2HB   ASP  18          HB1       ASP  18   1.488  -0.771  -2.083
  140    H    PHE  19           HN       PHE  19   2.604  -0.519   0.309
  141    HA   PHE  19           HA       PHE  19   4.940   1.061   0.501
  142   1HB   PHE  19          HB2       PHE  19   2.528   0.594   1.918
  143   2HB   PHE  19          HB1       PHE  19   3.824   0.439   3.101
  144    HD1  PHE  19           HD1      PHE  19   2.445   2.679   0.457
  145    HD2  PHE  19           HD2      PHE  19   4.994   2.344   3.900
  146    HE1  PHE  19           HE1      PHE  19   2.696   5.146   0.513
  147    HE2  PHE  19           HE2      PHE  19   5.243   4.811   3.956
  148    HZ   PHE  19           HZ       PHE  19   4.094   6.212   2.262
  149    H    LYS  20           HN       LYS  20   4.225  -2.132   1.895
  150    HA   LYS  20           HA       LYS  20   6.551  -2.384   3.553
  151   1HB   LYS  20          HB2       LYS  20   4.489  -3.780   3.638
  152   2HB   LYS  20          HB1       LYS  20   4.921  -4.485   2.080
  153   1HG   LYS  20          HG2       LYS  20   5.780  -6.069   3.566
  154   2HG   LYS  20          HG1       LYS  20   7.191  -5.053   3.276
  155   1HD   LYS  20          HD2       LYS  20   7.277  -4.949   5.551
  156   2HD   LYS  20          HD1       LYS  20   6.036  -3.713   5.348
  157   1HE   LYS  20          HE2       LYS  20   4.437  -5.029   6.292
  158   2HE   LYS  20          HE1       LYS  20   4.939  -6.445   5.349
  159   1HZ   LYS  20          HZ1       LYS  20   6.774  -6.804   6.812
  160   2HZ   LYS  20          HZ2       LYS  20   5.384  -6.648   7.776
  161   3HZ   LYS  20          HZ3       LYS  20   6.480  -5.357   7.647
  162    H    THR  21           HN       THR  21   6.004  -3.014   0.090
  163    HA   THR  21           HA       THR  21   8.742  -4.128  -0.218
  164    HB   THR  21           HB       THR  21   6.792  -3.532  -2.441
  165    HG1  THR  21           HG1      THR  21   6.676  -5.746  -0.669
  166   1HG2  THR  21          HG21      THR  21   8.647  -5.873  -1.936
  167   2HG2  THR  21          HG22      THR  21   9.075  -4.456  -2.894
  168   3HG2  THR  21          HG23      THR  21   7.774  -5.519  -3.427
  169    H    TRP  22           HN       TRP  22   6.816  -1.307  -1.269
  170    HA   TRP  22           HA       TRP  22   8.723  -0.015  -2.922
  171   1HB   TRP  22          HB2       TRP  22   6.212   0.473  -2.221
  172   2HB   TRP  22          HB1       TRP  22   6.969   1.510  -1.017
  173    HD1  TRP  22           HD1      TRP  22   6.170   1.295  -4.678
  174    HE1  TRP  22           HE1      TRP  22   6.988   3.430  -5.872
  175    HE3  TRP  22           HE3      TRP  22   8.937   3.395  -0.935
  176    HZ2  TRP  22           HZ2      TRP  22   8.603   5.724  -5.311
  177    HZ3  TRP  22           HZ3      TRP  22  10.101   5.553  -1.290
  178    HH2  TRP  22           HH2      TRP  22   9.938   6.720  -3.472
  179    H    LEU  23           HN       LEU  23   8.168   0.356   0.594
  180    HA   LEU  23           HA       LEU  23  10.327   2.197   1.069
  181   1HB   LEU  23          HB2       LEU  23   8.542   0.391   2.639
  182   2HB   LEU  23          HB1       LEU  23  10.004   0.951   3.445
  183    HG   LEU  23           HG       LEU  23   8.100   2.475   3.867
  184   1HD1  LEU  23          HD11      LEU  23   9.923   3.981   2.021
  185   2HD1  LEU  23          HD12      LEU  23  10.600   3.207   3.453
  186   3HD1  LEU  23          HD13      LEU  23   9.339   4.427   3.624
  187   1HD2  LEU  23          HD21      LEU  23   8.184   2.923   0.865
  188   2HD2  LEU  23          HD22      LEU  23   7.177   3.807   2.009
  189   3HD2  LEU  23          HD23      LEU  23   6.898   2.088   1.736
  190    H    LYS  24           HN       LYS  24  10.147  -1.371   1.152
  191    HA   LYS  24           HA       LYS  24  12.812  -1.823   2.161
  192   1HB   LYS  24          HB2       LYS  24  10.625  -3.324   1.770
  193   2HB   LYS  24          HB1       LYS  24  11.470  -3.722   0.274
  194   1HG   LYS  24          HG2       LYS  24  13.041  -4.955   1.355
  195   2HG   LYS  24          HG1       LYS  24  13.197  -3.777   2.657
  196   1HD   LYS  24          HD2       LYS  24  12.290  -5.747   3.664
  197   2HD   LYS  24          HD1       LYS  24  10.945  -4.616   3.516
  198   1HE   LYS  24          HE2       LYS  24  11.123  -6.135   1.077
  199   2HE   LYS  24          HE1       LYS  24  11.103  -7.256   2.452
  200   1HZ   LYS  24          HZ1       LYS  24   9.215  -6.063   3.367
  201   2HZ   LYS  24          HZ2       LYS  24   8.849  -6.606   1.800
  202   3HZ   LYS  24          HZ3       LYS  24   9.231  -4.972   2.068
  203    H    ALA  25           HN       ALA  25  11.469  -1.445  -1.115
  204    HA   ALA  25           HA       ALA  25  13.924  -2.099  -2.522
  205   1HB   ALA  25          HB1       ALA  25  11.476  -2.132  -3.319
  206   2HB   ALA  25          HB2       ALA  25  12.656  -1.456  -4.441
  207   3HB   ALA  25          HB3       ALA  25  11.628  -0.382  -3.492
  208    H    LYS  26           HN       LYS  26  12.508   0.892  -1.235
  209    HA   LYS  26           HA       LYS  26  14.194   2.771  -2.603
  210   1HB   LYS  26          HB2       LYS  26  12.024   3.049  -1.201
  211   2HB   LYS  26          HB1       LYS  26  13.102   3.095   0.194
  212   1HG   LYS  26          HG2       LYS  26  14.261   4.820  -1.713
  213   2HG   LYS  26          HG1       LYS  26  12.535   5.179  -1.735
  214   1HD   LYS  26          HD2       LYS  26  13.783   4.831   0.944
  215   2HD   LYS  26          HD1       LYS  26  14.223   6.287   0.052
  216   1HE   LYS  26          HE2       LYS  26  11.693   6.625  -0.330
  217   2HE   LYS  26          HE1       LYS  26  11.466   5.406   0.940
  218   1HZ   LYS  26          HZ1       LYS  26  11.579   7.533   1.989
  219   2HZ   LYS  26          HZ2       LYS  26  12.996   7.947   1.147
  220   3HZ   LYS  26          HZ3       LYS  26  13.030   6.723   2.329
  221    H    LEU  27           HN       LEU  27  14.629   0.925   0.413
  222    HA   LEU  27           HA       LEU  27  17.271   2.222   0.883
  223   1HB   LEU  27          HB2       LEU  27  15.139   1.130   2.454
  224   2HB   LEU  27          HB1       LEU  27  16.587   0.178   2.778
  225    HG   LEU  27           HG       LEU  27  16.834   3.163   2.706
  226   1HD1  LEU  27          HD11      LEU  27  15.972   3.485   4.859
  227   2HD1  LEU  27          HD12      LEU  27  16.062   1.769   5.257
  228   3HD1  LEU  27          HD13      LEU  27  14.810   2.356   4.163
  229   1HD2  LEU  27          HD21      LEU  27  18.215   0.808   3.946
  230   2HD2  LEU  27          HD22      LEU  27  18.346   2.375   4.744
  231   3HD2  LEU  27          HD23      LEU  27  18.907   2.182   3.083
  232    H    MET  28           HN       MET  28  18.895   0.407   1.835
  233    HA   MET  28           HA       MET  28  20.236  -1.487   1.433
  234   1HB   MET  28          HB2       MET  28  17.570  -2.280   1.103
  235   2HB   MET  28          HB1       MET  28  18.386  -2.884  -0.338
  236   1HG   MET  28          HG2       MET  28  19.639  -4.383   0.840
  237   2HG   MET  28          HG1       MET  28  19.855  -3.283   2.202
  238   1HE   MET  28          HE1       MET  28  19.459  -3.884   4.037
  239   2HE   MET  28          HE2       MET  28  19.075  -5.599   4.170
  240   3HE   MET  28          HE3       MET  28  17.947  -4.400   4.798
  241    HA   PRO  29           HA       PRO  29  21.962  -0.440  -2.494
  242   1HB   PRO  29          HB2       PRO  29  23.937  -2.330  -2.596
  243   2HB   PRO  29          HB1       PRO  29  24.019  -0.902  -1.550
  244   1HG   PRO  29          HG2       PRO  29  23.368  -3.712  -0.869
  245   2HG   PRO  29          HG1       PRO  29  24.223  -2.489   0.079
  246   1HD   PRO  29          HD2       PRO  29  21.592  -3.233   0.462
  247   2HD   PRO  29          HD1       PRO  29  22.303  -1.696   1.000
  248    H    GLN  30           HN       GLN  30  22.970  -2.056  -4.431
  249    HA   GLN  30           HA       GLN  30  20.662  -3.264  -5.655
  250   1HB   GLN  30          HB2       GLN  30  23.214  -2.418  -6.382
  251   2HB   GLN  30          HB1       GLN  30  23.285  -4.165  -6.618
  252   1HG   GLN  30          HG2       GLN  30  21.023  -2.461  -7.691
  253   2HG   GLN  30          HG1       GLN  30  22.474  -2.822  -8.627
  254   1HE2  GLN  30          HE21      GLN  30  22.992  -5.319  -8.720
  255   2HE2  GLN  30          HE22      GLN  30  21.656  -6.348  -8.908
  256    H    LEU  31           HN       LEU  31  23.503  -4.664  -3.993
  257    HA   LEU  31           HA       LEU  31  22.140  -7.337  -4.044
  258   1HB   LEU  31          HB2       LEU  31  24.464  -6.837  -5.128
  259   2HB   LEU  31          HB1       LEU  31  25.058  -6.820  -3.468
  260    HG   LEU  31           HG       LEU  31  23.773  -9.096  -3.262
  261   1HD1  LEU  31          HD11      LEU  31  22.618  -9.057  -5.384
  262   2HD1  LEU  31          HD12      LEU  31  23.837 -10.329  -5.466
  263   3HD1  LEU  31          HD13      LEU  31  24.125  -8.778  -6.256
  264   1HD2  LEU  31          HD21      LEU  31  26.362  -8.695  -4.787
  265   2HD2  LEU  31          HD22      LEU  31  25.811 -10.272  -4.220
  266   3HD2  LEU  31          HD23      LEU  31  26.172  -8.995  -3.060
  Start of MODEL    8
    1   1H    SER   1           HT1      SER   1 -17.964   6.914   4.446
    2   2H    SER   1           HT2      SER   1 -19.435   7.731   4.208
    3   3H    SER   1           HT3      SER   1 -18.834   7.499   5.780
    4    HA   SER   1           HA       SER   1 -18.476   9.795   5.008
    5   1HB   SER   1          HB2       SER   1 -16.944   8.242   6.506
    6   2HB   SER   1          HB1       SER   1 -15.828   8.377   5.150
    7    HG   SER   1           HG       SER   1 -15.356  10.100   6.389
    8    H    GLY   2           HN       GLY   2 -18.384  10.893   3.085
    9   1HA   GLY   2          HA2       GLY   2 -17.504  11.598   1.007
   10   2HA   GLY   2          HA1       GLY   2 -16.273  10.343   1.143
   11    H    SER   3           HN       SER   3 -17.093  10.394  -1.305
   12    HA   SER   3           HA       SER   3 -19.303   8.375  -1.567
   13   1HB   SER   3          HB2       SER   3 -19.170  10.930  -2.549
   14   2HB   SER   3          HB1       SER   3 -18.522  10.010  -3.904
   15    HG   SER   3           HG       SER   3 -20.425   9.141  -4.216
   16    H    TRP   4           HN       TRP   4 -16.083   8.350  -1.469
   17    HA   TRP   4           HA       TRP   4 -15.858   6.301  -3.635
   18   1HB   TRP   4          HB2       TRP   4 -14.917   8.819  -3.926
   19   2HB   TRP   4          HB1       TRP   4 -13.536   8.094  -3.104
   20    HD1  TRP   4           HD1      TRP   4 -15.631   7.784  -6.293
   21    HE1  TRP   4           HE1      TRP   4 -14.292   6.435  -8.034
   22    HE3  TRP   4           HE3      TRP   4 -11.642   6.361  -3.435
   23    HZ2  TRP   4           HZ2      TRP   4 -11.853   4.947  -8.193
   24    HZ3  TRP   4           HZ3      TRP   4  -9.829   4.979  -4.407
   25    HH2  TRP   4           HH2      TRP   4  -9.930   4.272  -6.780
   26    H    LEU   5           HN       LEU   5 -16.242   5.830  -0.834
   27    HA   LEU   5           HA       LEU   5 -13.550   5.121   0.222
   28   1HB   LEU   5          HB2       LEU   5 -15.377   6.328   1.538
   29   2HB   LEU   5          HB1       LEU   5 -16.272   4.810   1.516
   30    HG   LEU   5           HG       LEU   5 -14.190   3.715   2.511
   31   1HD1  LEU   5          HD11      LEU   5 -12.805   5.832   1.852
   32   2HD1  LEU   5          HD12      LEU   5 -12.461   5.037   3.388
   33   3HD1  LEU   5          HD13      LEU   5 -13.436   6.507   3.354
   34   1HD2  LEU   5          HD21      LEU   5 -14.819   4.305   4.749
   35   2HD2  LEU   5          HD22      LEU   5 -16.285   4.439   3.778
   36   3HD2  LEU   5          HD23      LEU   5 -15.397   5.892   4.239
   37    H    ARG   6           HN       ARG   6 -16.569   3.607  -0.896
   38    HA   ARG   6           HA       ARG   6 -16.050   0.926  -0.049
   39   1HB   ARG   6          HB2       ARG   6 -18.096   2.221  -1.206
   40   2HB   ARG   6          HB1       ARG   6 -17.408   1.485  -2.654
   41   1HG   ARG   6          HG2       ARG   6 -17.419  -0.522  -0.642
   42   2HG   ARG   6          HG1       ARG   6 -19.004   0.250  -0.601
   43   1HD   ARG   6          HD2       ARG   6 -19.604  -0.819  -2.504
   44   2HD   ARG   6          HD1       ARG   6 -18.195  -0.151  -3.352
   45    HE   ARG   6           HE       ARG   6 -17.886  -2.522  -1.550
   46   1HH1  ARG   6          HH21      ARG   6 -15.472  -1.525  -2.936
   47   2HH1  ARG   6          HH22      ARG   6 -15.420  -2.497  -4.370
   48   1HH2  ARG   6          HH11      ARG   6 -18.732  -3.529  -4.112
   49   2HH2  ARG   6          HH12      ARG   6 -17.273  -3.633  -5.040
   50    H    ASP   7           HN       ASP   7 -14.712   2.817  -2.690
   51    HA   ASP   7           HA       ASP   7 -13.527   0.396  -3.960
   52   1HB   ASP   7          HB2       ASP   7 -14.742   2.352  -5.154
   53   2HB   ASP   7          HB1       ASP   7 -13.273   3.277  -4.838
   54    H    ILE   8           HN       ILE   8 -12.605   3.370  -2.228
   55    HA   ILE   8           HA       ILE   8  -9.753   3.046  -2.644
   56    HB   ILE   8           HB       ILE   8 -11.227   5.118  -1.998
   57   1HG1  ILE   8          HG12      ILE   8  -8.655   4.832  -0.447
   58   2HG1  ILE   8          HG11      ILE   8  -8.647   4.860  -2.210
   59   1HG2  ILE   8          HG21      ILE   8 -10.410   4.290   0.786
   60   2HG2  ILE   8          HG22      ILE   8 -11.998   3.880   0.139
   61   3HG2  ILE   8          HG23      ILE   8 -11.522   5.570   0.301
   62   1HD1  ILE   8          HD11      ILE   8  -9.889   7.021  -2.148
   63   2HD1  ILE   8          HD12      ILE   8  -8.314   7.127  -1.362
   64   3HD1  ILE   8          HD13      ILE   8  -9.779   7.005  -0.389
   65    H    TRP   9           HN       TRP   9 -12.037   1.769  -0.269
   66    HA   TRP   9           HA       TRP   9 -10.235   1.097   1.836
   67   1HB   TRP   9          HB2       TRP   9 -12.899   0.884   1.371
   68   2HB   TRP   9          HB1       TRP   9 -12.424  -0.798   1.140
   69    HD1  TRP   9           HD1      TRP   9 -12.631  -2.118   3.290
   70    HE1  TRP   9           HE1      TRP   9 -12.261  -1.649   5.799
   71    HE3  TRP   9           HE3      TRP   9 -11.257   2.799   3.079
   72    HZ2  TRP   9           HZ2      TRP   9 -11.488   0.523   7.492
   73    HZ3  TRP   9           HZ3      TRP   9 -10.710   4.041   5.152
   74    HH2  TRP   9           HH2      TRP   9 -10.824   2.910   7.356
   75    H    ASP  10           HN       ASP  10 -11.293  -0.905  -0.954
   76    HA   ASP  10           HA       ASP  10  -9.613  -3.162  -0.395
   77   1HB   ASP  10          HB2       ASP  10 -11.619  -2.635  -2.096
   78   2HB   ASP  10          HB1       ASP  10 -10.278  -2.343  -3.202
   79    H    TRP  11           HN       TRP  11  -9.081  -0.183  -2.274
   80    HA   TRP  11           HA       TRP  11  -6.477  -0.891  -3.312
   81   1HB   TRP  11          HB2       TRP  11  -8.011   0.857  -4.212
   82   2HB   TRP  11          HB1       TRP  11  -7.766   1.805  -2.745
   83    HD1  TRP  11           HD1      TRP  11  -5.892   0.540  -5.840
   84    HE1  TRP  11           HE1      TRP  11  -3.802   2.009  -6.188
   85    HE3  TRP  11           HE3      TRP  11  -6.091   3.382  -1.603
   86    HZ2  TRP  11           HZ2      TRP  11  -2.401   4.112  -4.850
   87    HZ3  TRP  11           HZ3      TRP  11  -4.369   5.109  -1.164
   88    HH2  TRP  11           HH2      TRP  11  -2.525   5.477  -2.780
   89    H    ILE  12           HN       ILE  12  -7.582   0.879  -0.406
   90    HA   ILE  12           HA       ILE  12  -5.064   1.745   0.596
   91    HB   ILE  12           HB       ILE  12  -7.743   0.988   1.767
   92   1HG1  ILE  12          HG12      ILE  12  -6.276   3.618   1.969
   93   2HG1  ILE  12          HG11      ILE  12  -7.144   3.181   0.497
   94   1HG2  ILE  12          HG21      ILE  12  -5.225   1.696   3.284
   95   2HG2  ILE  12          HG22      ILE  12  -6.343   0.365   3.582
   96   3HG2  ILE  12          HG23      ILE  12  -6.829   2.021   3.942
   97   1HD1  ILE  12          HD11      ILE  12  -9.227   3.011   1.668
   98   2HD1  ILE  12          HD12      ILE  12  -8.486   4.520   2.200
   99   3HD1  ILE  12          HD13      ILE  12  -8.428   3.094   3.237
  100    H    CYS  13           HN       CYS  13  -6.745  -1.381   0.896
  101    HA   CYS  13           HA       CYS  13  -4.839  -2.607   2.702
  102   1HB   CYS  13          HB2       CYS  13  -7.224  -3.295   2.287
  103   2HB   CYS  13          HB1       CYS  13  -6.744  -3.848   0.682
  104    HG   CYS  13           HG       CYS  13  -5.357  -5.732   1.737
  105    H    GLU  14           HN       GLU  14  -5.188  -2.460  -0.844
  106    HA   GLU  14           HA       GLU  14  -3.141  -4.333  -1.544
  107   1HB   GLU  14          HB2       GLU  14  -4.746  -2.175  -2.760
  108   2HB   GLU  14          HB1       GLU  14  -3.192  -2.440  -3.544
  109   1HG   GLU  14          HG2       GLU  14  -3.792  -4.492  -4.339
  110   2HG   GLU  14          HG1       GLU  14  -4.699  -4.900  -2.883
  111    H    VAL  15           HN       VAL  15  -3.064  -0.802  -1.108
  112    HA   VAL  15           HA       VAL  15  -0.287  -0.399  -1.684
  113    HB   VAL  15           HB       VAL  15  -2.274   1.098   0.060
  114   1HG1  VAL  15          HG11      VAL  15  -0.249   2.014   0.765
  115   2HG1  VAL  15          HG12      VAL  15  -0.618   3.034  -0.625
  116   3HG1  VAL  15          HG13      VAL  15   0.543   1.716  -0.783
  117   1HG2  VAL  15          HG21      VAL  15  -1.864   0.820  -2.806
  118   2HG2  VAL  15          HG22      VAL  15  -1.696   2.502  -2.303
  119   3HG2  VAL  15          HG23      VAL  15  -3.178   1.618  -1.943
  120    H    LEU  16           HN       LEU  16  -1.944  -1.499   1.239
  121    HA   LEU  16           HA       LEU  16   0.082  -1.003   3.181
  122   1HB   LEU  16          HB2       LEU  16  -2.296  -1.765   3.534
  123   2HB   LEU  16          HB1       LEU  16  -1.814  -3.367   2.974
  124    HG   LEU  16           HG       LEU  16   0.102  -2.932   4.846
  125   1HD1  LEU  16          HD11      LEU  16  -2.298  -1.272   5.574
  126   2HD1  LEU  16          HD12      LEU  16  -0.586  -0.893   5.764
  127   3HD1  LEU  16          HD13      LEU  16  -1.357  -2.056   6.843
  128   1HD2  LEU  16          HD21      LEU  16  -2.661  -3.917   5.595
  129   2HD2  LEU  16          HD22      LEU  16  -1.108  -4.474   6.215
  130   3HD2  LEU  16          HD23      LEU  16  -1.579  -4.843   4.556
  131    H    SER  17           HN       SER  17  -0.396  -3.791   0.978
  132    HA   SER  17           HA       SER  17   1.860  -5.320   1.959
  133   1HB   SER  17          HB2       SER  17  -0.132  -6.158   0.652
  134   2HB   SER  17          HB1       SER  17   0.521  -5.347  -0.767
  135    HG   SER  17           HG       SER  17   1.410  -7.619   0.588
  136    H    ASP  18           HN       ASP  18   1.420  -2.998  -0.716
  137    HA   ASP  18           HA       ASP  18   4.114  -3.272  -1.757
  138   1HB   ASP  18          HB2       ASP  18   2.248  -2.476  -3.117
  139   2HB   ASP  18          HB1       ASP  18   1.978  -1.128  -2.011
  140    H    PHE  19           HN       PHE  19   2.577  -1.119   0.631
  141    HA   PHE  19           HA       PHE  19   4.429   0.931   0.955
  142   1HB   PHE  19          HB2       PHE  19   2.301  -0.213   2.367
  143   2HB   PHE  19          HB1       PHE  19   3.643  -0.262   3.504
  144    HD1  PHE  19           HD1      PHE  19   1.066   1.762   2.168
  145    HD2  PHE  19           HD2      PHE  19   5.103   1.944   3.625
  146    HE1  PHE  19           HE1      PHE  19   0.807   4.193   2.586
  147    HE2  PHE  19           HE2      PHE  19   4.843   4.374   4.043
  148    HZ   PHE  19           HZ       PHE  19   2.695   5.498   3.523
  149    H    LYS  20           HN       LYS  20   4.685  -2.371   2.314
  150    HA   LYS  20           HA       LYS  20   7.182  -1.957   3.695
  151   1HB   LYS  20          HB2       LYS  20   5.499  -3.786   4.061
  152   2HB   LYS  20          HB1       LYS  20   5.987  -4.492   2.519
  153   1HG   LYS  20          HG2       LYS  20   8.364  -4.545   3.431
  154   2HG   LYS  20          HG1       LYS  20   7.678  -4.137   5.005
  155   1HD   LYS  20          HD2       LYS  20   6.167  -6.293   3.833
  156   2HD   LYS  20          HD1       LYS  20   7.881  -6.707   3.829
  157   1HE   LYS  20          HE2       LYS  20   7.965  -6.883   6.105
  158   2HE   LYS  20          HE1       LYS  20   6.942  -5.453   6.341
  159   1HZ   LYS  20          HZ1       LYS  20   5.006  -6.679   5.872
  160   2HZ   LYS  20          HZ2       LYS  20   5.900  -7.670   6.922
  161   3HZ   LYS  20          HZ3       LYS  20   5.876  -7.999   5.255
  162    H    THR  21           HN       THR  21   6.405  -3.235   0.440
  163    HA   THR  21           HA       THR  21   9.188  -3.735  -0.274
  164    HB   THR  21           HB       THR  21   6.880  -3.343  -2.187
  165    HG1  THR  21           HG1      THR  21   5.843  -4.839  -1.168
  166   1HG2  THR  21          HG21      THR  21   8.065  -4.734  -3.592
  167   2HG2  THR  21          HG22      THR  21   8.812  -5.618  -2.261
  168   3HG2  THR  21          HG23      THR  21   9.408  -4.018  -2.701
  169    H    TRP  22           HN       TRP  22   6.829  -1.155  -0.968
  170    HA   TRP  22           HA       TRP  22   8.321   0.417  -2.793
  171   1HB   TRP  22          HB2       TRP  22   5.893   0.541  -1.762
  172   2HB   TRP  22          HB1       TRP  22   6.653   1.600  -0.582
  173    HD1  TRP  22           HD1      TRP  22   5.985   1.327  -4.352
  174    HE1  TRP  22           HE1      TRP  22   6.114   3.692  -5.371
  175    HE3  TRP  22           HE3      TRP  22   7.564   3.959  -0.273
  176    HZ2  TRP  22           HZ2      TRP  22   6.796   6.351  -4.561
  177    HZ3  TRP  22           HZ3      TRP  22   7.944   6.404  -0.421
  178    HH2  TRP  22           HH2      TRP  22   7.562   7.603  -2.559
  179    H    LEU  23           HN       LEU  23   8.186   0.628   0.773
  180    HA   LEU  23           HA       LEU  23  10.135   2.712   1.070
  181   1HB   LEU  23          HB2       LEU  23   8.895   0.577   2.780
  182   2HB   LEU  23          HB1       LEU  23  10.260   1.489   3.424
  183    HG   LEU  23           HG       LEU  23   7.844   2.844   2.208
  184   1HD1  LEU  23          HD11      LEU  23   8.355   2.292   5.147
  185   2HD1  LEU  23          HD12      LEU  23   7.198   1.401   4.158
  186   3HD1  LEU  23          HD13      LEU  23   6.962   3.124   4.454
  187   1HD2  LEU  23          HD21      LEU  23  10.037   3.756   4.101
  188   2HD2  LEU  23          HD22      LEU  23   8.687   4.753   3.558
  189   3HD2  LEU  23          HD23      LEU  23   9.892   4.194   2.398
  190    H    LYS  24           HN       LYS  24  10.456  -0.856   1.018
  191    HA   LYS  24           HA       LYS  24  13.288  -0.871   1.669
  192   1HB   LYS  24          HB2       LYS  24  11.475  -2.712   1.855
  193   2HB   LYS  24          HB1       LYS  24  11.755  -2.977   0.134
  194   1HG   LYS  24          HG2       LYS  24  13.980  -3.662   0.473
  195   2HG   LYS  24          HG1       LYS  24  14.064  -2.917   2.070
  196   1HD   LYS  24          HD2       LYS  24  12.318  -4.573   2.840
  197   2HD   LYS  24          HD1       LYS  24  12.501  -5.391   1.287
  198   1HE   LYS  24          HE2       LYS  24  14.704  -6.075   1.760
  199   2HE   LYS  24          HE1       LYS  24  14.923  -4.826   3.002
  200   1HZ   LYS  24          HZ1       LYS  24  13.298  -5.902   4.384
  201   2HZ   LYS  24          HZ2       LYS  24  14.474  -7.050   3.951
  202   3HZ   LYS  24          HZ3       LYS  24  12.959  -7.052   3.184
  203    H    ALA  25           HN       ALA  25  11.439  -1.053  -1.385
  204    HA   ALA  25           HA       ALA  25  13.670  -1.412  -3.149
  205   1HB   ALA  25          HB1       ALA  25  11.990  -0.557  -4.831
  206   2HB   ALA  25          HB2       ALA  25  10.920  -0.176  -3.481
  207   3HB   ALA  25          HB3       ALA  25  11.373  -1.849  -3.802
  208    H    LYS  26           HN       LYS  26  12.256   1.489  -1.679
  209    HA   LYS  26           HA       LYS  26  13.916   3.283  -3.357
  210   1HB   LYS  26          HB2       LYS  26  11.682   3.515  -1.369
  211   2HB   LYS  26          HB1       LYS  26  12.689   4.932  -1.669
  212   1HG   LYS  26          HG2       LYS  26  12.259   4.658  -4.120
  213   2HG   LYS  26          HG1       LYS  26  11.145   3.346  -3.741
  214   1HD   LYS  26          HD2       LYS  26   9.571   4.981  -3.650
  215   2HD   LYS  26          HD1       LYS  26  10.253   5.324  -2.061
  216   1HE   LYS  26          HE2       LYS  26  10.596   7.427  -2.898
  217   2HE   LYS  26          HE1       LYS  26  11.976   6.695  -3.741
  218   1HZ   LYS  26          HZ1       LYS  26  10.504   6.114  -5.573
  219   2HZ   LYS  26          HZ2       LYS  26  10.483   7.791  -5.307
  220   3HZ   LYS  26          HZ3       LYS  26   9.189   6.829  -4.776
  221    H    LEU  27           HN       LEU  27  13.531   2.494   0.128
  222    HA   LEU  27           HA       LEU  27  16.027   3.960   0.768
  223   1HB   LEU  27          HB2       LEU  27  13.749   3.862   2.051
  224   2HB   LEU  27          HB1       LEU  27  14.357   2.329   2.671
  225    HG   LEU  27           HG       LEU  27  16.385   4.420   2.799
  226   1HD1  LEU  27          HD11      LEU  27  13.672   4.911   4.013
  227   2HD1  LEU  27          HD12      LEU  27  14.728   6.044   3.170
  228   3HD1  LEU  27          HD13      LEU  27  15.127   5.514   4.805
  229   1HD2  LEU  27          HD21      LEU  27  16.262   3.666   5.257
  230   2HD2  LEU  27          HD22      LEU  27  16.671   2.426   4.072
  231   3HD2  LEU  27          HD23      LEU  27  15.035   2.516   4.725
  232    H    MET  28           HN       MET  28  17.558   2.575  -0.295
  233    HA   MET  28           HA       MET  28  17.969  -0.085   1.040
  234   1HB   MET  28          HB2       MET  28  17.665   0.717  -1.735
  235   2HB   MET  28          HB1       MET  28  19.224  -0.068  -1.488
  236   1HG   MET  28          HG2       MET  28  16.666  -1.251  -0.403
  237   2HG   MET  28          HG1       MET  28  17.225  -1.596  -2.039
  238   1HE   MET  28          HE1       MET  28  18.854  -2.982  -2.740
  239   2HE   MET  28          HE2       MET  28  20.128  -3.797  -1.836
  240   3HE   MET  28          HE3       MET  28  20.244  -2.066  -2.139
  241    HA   PRO  29           HA       PRO  29  21.681   2.338   2.038
  242   1HB   PRO  29          HB2       PRO  29  22.388   0.825   4.206
  243   2HB   PRO  29          HB1       PRO  29  21.189   2.128   4.277
  244   1HG   PRO  29          HG2       PRO  29  20.783  -0.812   4.146
  245   2HG   PRO  29          HG1       PRO  29  19.864   0.416   5.029
  246   1HD   PRO  29          HD2       PRO  29  19.040  -0.717   2.675
  247   2HD   PRO  29          HD1       PRO  29  18.532   0.891   3.237
  248    H    GLN  30           HN       GLN  30  24.014   1.538   2.447
  249    HA   GLN  30           HA       GLN  30  24.564  -0.763   0.612
  250   1HB   GLN  30          HB2       GLN  30  26.148   1.650   1.549
  251   2HB   GLN  30          HB1       GLN  30  26.847   0.369   0.557
  252   1HG   GLN  30          HG2       GLN  30  25.033   0.771  -1.134
  253   2HG   GLN  30          HG1       GLN  30  24.506   2.153  -0.174
  254   1HE2  GLN  30          HE21      GLN  30  25.906   4.057  -0.121
  255   2HE2  GLN  30          HE22      GLN  30  27.195   4.238  -1.210
  256    H    LEU  31           HN       LEU  31  26.533  -2.095   1.228
  257    HA   LEU  31           HA       LEU  31  27.226  -2.165   4.103
  258   1HB   LEU  31          HB2       LEU  31  26.431  -4.530   4.287
  259   2HB   LEU  31          HB1       LEU  31  25.117  -3.394   3.992
  260    HG   LEU  31           HG       LEU  31  26.213  -4.294   1.472
  261   1HD1  LEU  31          HD11      LEU  31  25.557  -6.669   1.641
  262   2HD1  LEU  31          HD12      LEU  31  25.240  -6.459   3.362
  263   3HD1  LEU  31          HD13      LEU  31  26.883  -6.298   2.742
  264   1HD2  LEU  31          HD21      LEU  31  23.854  -4.932   1.100
  265   2HD2  LEU  31          HD22      LEU  31  23.965  -3.329   1.827
  266   3HD2  LEU  31          HD23      LEU  31  23.524  -4.719   2.819
  Start of MODEL    9
    1   1H    SER   1           HT1      SER   1 -19.612  10.923 -11.920
    2   2H    SER   1           HT2      SER   1 -21.277  10.591 -11.893
    3   3H    SER   1           HT3      SER   1 -20.157   9.323 -12.051
    4    HA   SER   1           HA       SER   1 -20.452  11.068  -9.652
    5   1HB   SER   1          HB2       SER   1 -21.226   8.179 -10.179
    6   2HB   SER   1          HB1       SER   1 -21.498   9.071  -8.685
    7    HG   SER   1           HG       SER   1 -23.369   9.220  -9.835
    8    H    GLY   2           HN       GLY   2 -19.224   7.851 -10.710
    9   1HA   GLY   2          HA2       GLY   2 -16.998   7.025 -10.497
   10   2HA   GLY   2          HA1       GLY   2 -16.563   8.489  -9.614
   11    H    SER   3           HN       SER   3 -15.530   6.562  -8.310
   12    HA   SER   3           HA       SER   3 -17.367   6.002  -6.026
   13   1HB   SER   3          HB2       SER   3 -17.208   4.130  -7.816
   14   2HB   SER   3          HB1       SER   3 -15.570   3.883  -7.218
   15    HG   SER   3           HG       SER   3 -16.352   3.048  -5.440
   16    H    TRP   4           HN       TRP   4 -16.290   6.857  -4.284
   17    HA   TRP   4           HA       TRP   4 -13.305   6.532  -4.157
   18   1HB   TRP   4          HB2       TRP   4 -14.941   8.843  -4.243
   19   2HB   TRP   4          HB1       TRP   4 -14.355   8.725  -2.585
   20    HD1  TRP   4           HD1      TRP   4 -13.240   9.441  -6.110
   21    HE1  TRP   4           HE1      TRP   4 -10.751  10.120  -6.105
   22    HE3  TRP   4           HE3      TRP   4 -12.021   8.305  -1.283
   23    HZ2  TRP   4           HZ2      TRP   4  -8.539  10.173  -4.295
   24    HZ3  TRP   4           HZ3      TRP   4  -9.720   8.679  -0.445
   25    HH2  TRP   4           HH2      TRP   4  -7.978   9.611  -1.944
   26    H    LEU   5           HN       LEU   5 -15.540   4.799  -3.012
   27    HA   LEU   5           HA       LEU   5 -14.720   5.003  -0.133
   28   1HB   LEU   5          HB2       LEU   5 -17.237   5.477  -1.243
   29   2HB   LEU   5          HB1       LEU   5 -17.354   3.827  -0.636
   30    HG   LEU   5           HG       LEU   5 -16.251   4.780   1.521
   31   1HD1  LEU   5          HD11      LEU   5 -16.756   7.167   1.907
   32   2HD1  LEU   5          HD12      LEU   5 -17.356   7.308   0.254
   33   3HD1  LEU   5          HD13      LEU   5 -15.651   6.968   0.547
   34   1HD2  LEU   5          HD21      LEU   5 -19.078   5.581   0.751
   35   2HD2  LEU   5          HD22      LEU   5 -18.468   5.405   2.397
   36   3HD2  LEU   5          HD23      LEU   5 -18.596   3.993   1.349
   37    H    ARG   6           HN       ARG   6 -16.453   2.733  -2.320
   38    HA   ARG   6           HA       ARG   6 -15.529   0.357  -0.974
   39   1HB   ARG   6          HB2       ARG   6 -17.558   0.605  -2.426
   40   2HB   ARG   6          HB1       ARG   6 -16.499   0.768  -3.825
   41   1HG   ARG   6          HG2       ARG   6 -17.063  -1.519  -3.838
   42   2HG   ARG   6          HG1       ARG   6 -15.484  -1.496  -3.052
   43   1HD   ARG   6          HD2       ARG   6 -16.377  -1.947  -0.943
   44   2HD   ARG   6          HD1       ARG   6 -17.961  -1.261  -1.356
   45    HE   ARG   6           HE       ARG   6 -18.532  -3.310  -2.437
   46   1HH1  ARG   6          HH11      ARG   6 -16.756  -4.455  -0.217
   47   2HH1  ARG   6          HH12      ARG   6 -15.755  -5.543  -1.120
   48   1HH2  ARG   6          HH21      ARG   6 -16.585  -4.167  -4.202
   49   2HH2  ARG   6          HH22      ARG   6 -15.667  -5.387  -3.384
   50    H    ASP   7           HN       ASP   7 -14.493   1.931  -4.022
   51    HA   ASP   7           HA       ASP   7 -12.370   0.122  -4.666
   52   1HB   ASP   7          HB2       ASP   7 -13.248   1.616  -6.316
   53   2HB   ASP   7          HB1       ASP   7 -12.997   3.021  -5.283
   54    H    ILE   8           HN       ILE   8 -12.442   3.065  -2.658
   55    HA   ILE   8           HA       ILE   8  -9.577   3.217  -2.251
   56    HB   ILE   8           HB       ILE   8 -11.895   4.280  -0.598
   57   1HG1  ILE   8          HG12      ILE   8 -12.090   4.994  -2.935
   58   2HG1  ILE   8          HG11      ILE   8 -11.569   6.353  -1.946
   59   1HG2  ILE   8          HG21      ILE   8  -8.940   4.778  -0.632
   60   2HG2  ILE   8          HG22      ILE   8 -10.041   4.676   0.741
   61   3HG2  ILE   8          HG23      ILE   8 -10.021   6.123  -0.266
   62   1HD1  ILE   8          HD11      ILE   8 -10.105   6.472  -3.773
   63   2HD1  ILE   8          HD12      ILE   8  -9.965   4.718  -3.897
   64   3HD1  ILE   8          HD13      ILE   8  -9.156   5.578  -2.587
   65    H    TRP   9           HN       TRP   9 -12.246   1.642  -0.485
   66    HA   TRP   9           HA       TRP   9 -10.889   0.964   1.917
   67   1HB   TRP   9          HB2       TRP   9 -13.324   0.721   1.434
   68   2HB   TRP   9          HB1       TRP   9 -12.957  -0.621   0.351
   69    HD1  TRP   9           HD1      TRP   9 -13.633  -2.758   1.549
   70    HE1  TRP   9           HE1      TRP   9 -13.259  -3.755   3.898
   71    HE3  TRP   9           HE3      TRP   9 -11.269   1.165   3.814
   72    HZ2  TRP   9           HZ2      TRP   9 -12.110  -2.991   6.401
   73    HZ3  TRP   9           HZ3      TRP   9 -10.546   1.001   6.177
   74    HH2  TRP   9           HH2      TRP   9 -10.964  -1.070   7.473
   75    H    ASP  10           HN       ASP  10 -11.241  -1.031  -1.055
   76    HA   ASP  10           HA       ASP  10  -9.415  -3.090  -0.142
   77   1HB   ASP  10          HB2       ASP  10 -11.214  -2.555  -2.295
   78   2HB   ASP  10          HB1       ASP  10  -9.653  -2.961  -3.005
   79    H    TRP  11           HN       TRP  11  -9.055  -0.112  -2.042
   80    HA   TRP  11           HA       TRP  11  -6.390  -0.599  -3.024
   81   1HB   TRP  11          HB2       TRP  11  -7.785   1.094  -4.014
   82   2HB   TRP  11          HB1       TRP  11  -8.049   1.876  -2.456
   83    HD1  TRP  11           HD1      TRP  11  -5.124   1.110  -4.868
   84    HE1  TRP  11           HE1      TRP  11  -3.402   3.017  -4.665
   85    HE3  TRP  11           HE3      TRP  11  -7.292   3.862  -1.156
   86    HZ2  TRP  11           HZ2      TRP  11  -2.998   5.400  -3.131
   87    HZ3  TRP  11           HZ3      TRP  11  -6.221   5.943  -0.343
   88    HH2  TRP  11           HH2      TRP  11  -4.079   6.715  -1.324
   89    H    ILE  12           HN       ILE  12  -7.621   1.019  -0.068
   90    HA   ILE  12           HA       ILE  12  -5.148   1.943   0.988
   91    HB   ILE  12           HB       ILE  12  -7.791   1.030   2.135
   92   1HG1  ILE  12          HG12      ILE  12  -6.396   3.717   2.266
   93   2HG1  ILE  12          HG11      ILE  12  -7.440   3.250   0.924
   94   1HG2  ILE  12          HG21      ILE  12  -5.310   1.855   3.661
   95   2HG2  ILE  12          HG22      ILE  12  -6.322   0.434   3.919
   96   3HG2  ILE  12          HG23      ILE  12  -6.930   2.036   4.334
   97   1HD1  ILE  12          HD11      ILE  12  -8.212   3.509   3.843
   98   2HD1  ILE  12          HD12      ILE  12  -9.254   2.775   2.624
   99   3HD1  ILE  12          HD13      ILE  12  -8.803   4.475   2.489
  100    H    CYS  13           HN       CYS  13  -6.681  -1.268   1.139
  101    HA   CYS  13           HA       CYS  13  -4.755  -2.458   2.949
  102   1HB   CYS  13          HB2       CYS  13  -7.111  -3.224   2.423
  103   2HB   CYS  13          HB1       CYS  13  -6.520  -3.764   0.852
  104    HG   CYS  13           HG       CYS  13  -5.413  -4.942   3.536
  105    H    GLU  14           HN       GLU  14  -4.997  -2.157  -0.590
  106    HA   GLU  14           HA       GLU  14  -2.853  -3.947  -1.276
  107   1HB   GLU  14          HB2       GLU  14  -4.731  -2.226  -2.527
  108   2HB   GLU  14          HB1       GLU  14  -3.141  -1.723  -3.097
  109   1HG   GLU  14          HG2       GLU  14  -3.755  -4.653  -3.016
  110   2HG   GLU  14          HG1       GLU  14  -4.461  -3.685  -4.310
  111    H    VAL  15           HN       VAL  15  -2.963  -0.448  -0.666
  112    HA   VAL  15           HA       VAL  15  -0.182   0.087  -1.211
  113    HB   VAL  15           HB       VAL  15  -2.255   1.488   0.516
  114   1HG1  VAL  15          HG11      VAL  15   0.523   2.251  -0.363
  115   2HG1  VAL  15          HG12      VAL  15  -0.223   2.429   1.225
  116   3HG1  VAL  15          HG13      VAL  15  -0.696   3.496  -0.096
  117   1HG2  VAL  15          HG21      VAL  15  -1.822   2.974  -1.778
  118   2HG2  VAL  15          HG22      VAL  15  -3.176   1.873  -1.525
  119   3HG2  VAL  15          HG23      VAL  15  -1.733   1.317  -2.373
  120    H    LEU  16           HN       LEU  16  -1.940  -0.925   1.713
  121    HA   LEU  16           HA       LEU  16   0.096  -0.483   3.660
  122   1HB   LEU  16          HB2       LEU  16  -2.282  -1.079   4.095
  123   2HB   LEU  16          HB1       LEU  16  -1.982  -2.695   3.457
  124    HG   LEU  16           HG       LEU  16   0.014  -2.073   5.442
  125   1HD1  LEU  16          HD11      LEU  16  -1.477  -1.923   7.413
  126   2HD1  LEU  16          HD12      LEU  16  -2.872  -1.801   6.340
  127   3HD1  LEU  16          HD13      LEU  16  -1.660  -0.521   6.360
  128   1HD2  LEU  16          HD21      LEU  16  -0.854  -4.320   4.616
  129   2HD2  LEU  16          HD22      LEU  16  -2.291  -4.035   5.598
  130   3HD2  LEU  16          HD23      LEU  16  -0.710  -4.170   6.367
  131    H    SER  17           HN       SER  17  -0.612  -3.416   1.712
  132    HA   SER  17           HA       SER  17   1.712  -4.883   2.661
  133   1HB   SER  17          HB2       SER  17  -0.604  -5.518   1.414
  134   2HB   SER  17          HB1       SER  17   0.465  -5.468   0.015
  135    HG   SER  17           HG       SER  17   0.255  -7.336   1.940
  136    H    ASP  18           HN       ASP  18   1.010  -2.833  -0.162
  137    HA   ASP  18           HA       ASP  18   3.448  -3.319  -1.610
  138   1HB   ASP  18          HB2       ASP  18   1.682  -2.312  -2.799
  139   2HB   ASP  18          HB1       ASP  18   1.325  -1.181  -1.498
  140    H    PHE  19           HN       PHE  19   2.583  -1.012   0.965
  141    HA   PHE  19           HA       PHE  19   4.768   0.749   0.924
  142   1HB   PHE  19          HB2       PHE  19   2.658  -0.011   2.645
  143   2HB   PHE  19          HB1       PHE  19   4.122  -0.098   3.619
  144    HD1  PHE  19           HD1      PHE  19   4.955   1.857   4.589
  145    HD2  PHE  19           HD2      PHE  19   2.455   2.137   1.107
  146    HE1  PHE  19           HE1      PHE  19   4.995   4.330   4.759
  147    HE2  PHE  19           HE2      PHE  19   2.496   4.610   1.277
  148    HZ   PHE  19           HZ       PHE  19   3.766   5.707   3.103
  149    H    LYS  20           HN       LYS  20   4.616  -2.553   2.259
  150    HA   LYS  20           HA       LYS  20   7.172  -2.598   3.549
  151   1HB   LYS  20          HB2       LYS  20   5.342  -4.262   3.813
  152   2HB   LYS  20          HB1       LYS  20   5.618  -4.812   2.160
  153   1HG   LYS  20          HG2       LYS  20   7.369  -6.090   2.789
  154   2HG   LYS  20          HG1       LYS  20   8.096  -4.761   3.694
  155   1HD   LYS  20          HD2       LYS  20   6.417  -5.219   5.532
  156   2HD   LYS  20          HD1       LYS  20   5.957  -6.678   4.654
  157   1HE   LYS  20          HE2       LYS  20   8.294  -7.498   4.783
  158   2HE   LYS  20          HE1       LYS  20   8.744  -6.041   5.691
  159   1HZ   LYS  20          HZ1       LYS  20   6.669  -8.024   6.480
  160   2HZ   LYS  20          HZ2       LYS  20   7.026  -6.593   7.326
  161   3HZ   LYS  20          HZ3       LYS  20   8.186  -7.828   7.214
  162    H    THR  21           HN       THR  21   6.223  -3.195   0.163
  163    HA   THR  21           HA       THR  21   9.011  -3.879  -0.589
  164    HB   THR  21           HB       THR  21   6.715  -3.459  -2.497
  165    HG1  THR  21           HG1      THR  21   5.608  -4.934  -1.530
  166   1HG2  THR  21          HG21      THR  21   8.826  -5.622  -2.361
  167   2HG2  THR  21          HG22      THR  21   9.053  -4.101  -3.224
  168   3HG2  THR  21          HG23      THR  21   7.788  -5.220  -3.729
  169    H    TRP  22           HN       TRP  22   6.598  -1.313  -1.202
  170    HA   TRP  22           HA       TRP  22   8.043   0.300  -3.022
  171   1HB   TRP  22          HB2       TRP  22   5.642   0.388  -1.815
  172   2HB   TRP  22          HB1       TRP  22   6.478   1.569  -0.814
  173    HD1  TRP  22           HD1      TRP  22   5.247   0.972  -4.365
  174    HE1  TRP  22           HE1      TRP  22   5.366   3.190  -5.674
  175    HE3  TRP  22           HE3      TRP  22   7.742   3.867  -0.976
  176    HZ2  TRP  22           HZ2      TRP  22   6.382   5.841  -5.329
  177    HZ3  TRP  22           HZ3      TRP  22   8.271   6.232  -1.491
  178    HH2  TRP  22           HH2      TRP  22   7.595   7.222  -3.661
  179    H    LEU  23           HN       LEU  23   8.059   0.392   0.557
  180    HA   LEU  23           HA       LEU  23   9.967   2.531   0.810
  181   1HB   LEU  23          HB2       LEU  23   8.731   0.415   2.506
  182   2HB   LEU  23          HB1       LEU  23  10.227   1.119   3.112
  183    HG   LEU  23           HG       LEU  23   8.247   2.350   3.943
  184   1HD1  LEU  23          HD11      LEU  23  10.507   3.452   3.295
  185   2HD1  LEU  23          HD12      LEU  23   9.120   4.504   3.576
  186   3HD1  LEU  23          HD13      LEU  23   9.617   4.124   1.928
  187   1HD2  LEU  23          HD21      LEU  23   6.776   1.909   1.989
  188   2HD2  LEU  23          HD22      LEU  23   7.771   2.990   1.013
  189   3HD2  LEU  23          HD23      LEU  23   6.852   3.628   2.375
  190    H    LYS  24           HN       LYS  24  10.354  -1.030   0.722
  191    HA   LYS  24           HA       LYS  24  13.212  -1.017   1.207
  192   1HB   LYS  24          HB2       LYS  24  11.460  -2.894   1.446
  193   2HB   LYS  24          HB1       LYS  24  11.602  -3.091  -0.301
  194   1HG   LYS  24          HG2       LYS  24  13.858  -3.760  -0.169
  195   2HG   LYS  24          HG1       LYS  24  14.059  -3.082   1.447
  196   1HD   LYS  24          HD2       LYS  24  13.917  -5.471   1.702
  197   2HD   LYS  24          HD1       LYS  24  12.389  -4.800   2.273
  198   1HE   LYS  24          HE2       LYS  24  12.243  -5.311  -0.583
  199   2HE   LYS  24          HE1       LYS  24  12.709  -6.783   0.291
  200   1HZ   LYS  24          HZ1       LYS  24  10.893  -6.467   1.812
  201   2HZ   LYS  24          HZ2       LYS  24  10.275  -6.439   0.229
  202   3HZ   LYS  24          HZ3       LYS  24  10.474  -4.989   1.091
  203    H    ALA  25           HN       ALA  25  11.197  -1.015  -1.733
  204    HA   ALA  25           HA       ALA  25  13.283  -1.361  -3.665
  205   1HB   ALA  25          HB1       ALA  25  10.999  -1.657  -4.289
  206   2HB   ALA  25          HB2       ALA  25  11.514  -0.196  -5.131
  207   3HB   ALA  25          HB3       ALA  25  10.546  -0.072  -3.662
  208    H    LYS  26           HN       LYS  26  12.336   1.426  -1.760
  209    HA   LYS  26           HA       LYS  26  13.866   3.291  -3.506
  210   1HB   LYS  26          HB2       LYS  26  11.784   3.432  -1.377
  211   2HB   LYS  26          HB1       LYS  26  12.895   4.798  -1.486
  212   1HG   LYS  26          HG2       LYS  26  12.337   4.527  -4.098
  213   2HG   LYS  26          HG1       LYS  26  10.842   3.862  -3.436
  214   1HD   LYS  26          HD2       LYS  26  10.314   5.866  -2.299
  215   2HD   LYS  26          HD1       LYS  26  11.962   6.479  -2.435
  216   1HE   LYS  26          HE2       LYS  26  11.534   6.373  -5.018
  217   2HE   LYS  26          HE1       LYS  26   9.821   6.348  -4.554
  218   1HZ   LYS  26          HZ1       LYS  26  10.637   8.626  -4.791
  219   2HZ   LYS  26          HZ2       LYS  26  11.832   8.335  -3.619
  220   3HZ   LYS  26          HZ3       LYS  26  10.187   8.305  -3.187
  221    H    LEU  27           HN       LEU  27  14.098   1.621  -0.416
  222    HA   LEU  27           HA       LEU  27  16.120   3.299   0.786
  223   1HB   LEU  27          HB2       LEU  27  14.620   0.887   1.320
  224   2HB   LEU  27          HB1       LEU  27  16.314   0.622   1.717
  225    HG   LEU  27           HG       LEU  27  15.125   1.507   3.669
  226   1HD1  LEU  27          HD11      LEU  27  16.731   3.076   4.268
  227   2HD1  LEU  27          HD12      LEU  27  16.705   3.860   2.690
  228   3HD1  LEU  27          HD13      LEU  27  17.521   2.310   2.890
  229   1HD2  LEU  27          HD21      LEU  27  14.334   3.669   1.713
  230   2HD2  LEU  27          HD22      LEU  27  14.323   3.957   3.452
  231   3HD2  LEU  27          HD23      LEU  27  13.295   2.702   2.761
  232    H    MET  28           HN       MET  28  16.241   0.515  -1.413
  233    HA   MET  28           HA       MET  28  19.030  -0.100  -1.132
  234   1HB   MET  28          HB2       MET  28  16.752  -0.780  -2.821
  235   2HB   MET  28          HB1       MET  28  18.247  -0.717  -3.752
  236   1HG   MET  28          HG2       MET  28  18.651  -2.040  -1.191
  237   2HG   MET  28          HG1       MET  28  17.389  -2.832  -2.133
  238   1HE   MET  28          HE1       MET  28  21.828  -2.334  -3.107
  239   2HE   MET  28          HE2       MET  28  21.031  -2.196  -1.543
  240   3HE   MET  28          HE3       MET  28  20.778  -0.952  -2.765
  241    HA   PRO  29           HA       PRO  29  19.835   2.726  -4.907
  242   1HB   PRO  29          HB2       PRO  29  17.807   4.312  -5.836
  243   2HB   PRO  29          HB1       PRO  29  18.092   2.663  -6.421
  244   1HG   PRO  29          HG2       PRO  29  16.081   3.660  -4.474
  245   2HG   PRO  29          HG1       PRO  29  15.930   2.402  -5.710
  246   1HD   PRO  29          HD2       PRO  29  16.287   1.890  -3.049
  247   2HD   PRO  29          HD1       PRO  29  16.774   0.781  -4.348
  248    H    GLN  30           HN       GLN  30  19.540   5.380  -5.331
  249    HA   GLN  30           HA       GLN  30  20.404   6.613  -2.866
  250   1HB   GLN  30          HB2       GLN  30  20.479   7.124  -5.610
  251   2HB   GLN  30          HB1       GLN  30  19.460   8.416  -4.975
  252   1HG   GLN  30          HG2       GLN  30  21.223   8.883  -3.252
  253   2HG   GLN  30          HG1       GLN  30  22.255   7.694  -4.048
  254   1HE2  GLN  30          HE21      GLN  30  20.329  10.639  -4.895
  255   2HE2  GLN  30          HE22      GLN  30  21.446  11.212  -6.037
  256    H    LEU  31           HN       LEU  31  19.183   7.626  -1.310
  257    HA   LEU  31           HA       LEU  31  16.244   7.635  -1.564
  258   1HB   LEU  31          HB2       LEU  31  18.323   8.020   0.556
  259   2HB   LEU  31          HB1       LEU  31  16.716   8.680   0.853
  260    HG   LEU  31           HG       LEU  31  15.965   6.267  -0.013
  261   1HD1  LEU  31          HD11      LEU  31  18.147   5.386  -0.506
  262   2HD1  LEU  31          HD12      LEU  31  17.600   4.589   0.969
  263   3HD1  LEU  31          HD13      LEU  31  18.775   5.901   1.059
  264   1HD2  LEU  31          HD21      LEU  31  17.055   6.775   2.775
  265   2HD2  LEU  31          HD22      LEU  31  15.836   5.578   2.338
  266   3HD2  LEU  31          HD23      LEU  31  15.472   7.298   2.199
  Start of MODEL   10
    1   1H    SER   1           HT1      SER   1 -25.578  -4.633   0.264
    2   2H    SER   1           HT2      SER   1 -25.526  -5.701   1.583
    3   3H    SER   1           HT3      SER   1 -24.687  -6.072   0.151
    4    HA   SER   1           HA       SER   1 -24.061  -3.869   2.057
    5   1HB   SER   1          HB2       SER   1 -21.987  -5.266   2.300
    6   2HB   SER   1          HB1       SER   1 -23.448  -6.110   2.804
    7    HG   SER   1           HG       SER   1 -22.594  -7.547   1.465
    8    H    GLY   2           HN       GLY   2 -21.684  -3.123   1.418
    9   1HA   GLY   2          HA2       GLY   2 -20.128  -2.786  -0.493
   10   2HA   GLY   2          HA1       GLY   2 -21.536  -2.810  -1.556
   11    H    SER   3           HN       SER   3 -19.384  -0.775  -0.005
   12    HA   SER   3           HA       SER   3 -21.191   1.564  -0.448
   13   1HB   SER   3          HB2       SER   3 -21.213   0.842   1.954
   14   2HB   SER   3          HB1       SER   3 -19.470   1.090   2.010
   15    HG   SER   3           HG       SER   3 -20.449   2.958   2.725
   16    H    TRP   4           HN       TRP   4 -19.845   3.649  -0.386
   17    HA   TRP   4           HA       TRP   4 -17.656   3.515  -2.217
   18   1HB   TRP   4          HB2       TRP   4 -19.243   5.454  -0.828
   19   2HB   TRP   4          HB1       TRP   4 -17.548   5.898  -0.634
   20    HD1  TRP   4           HD1      TRP   4 -20.265   6.506  -2.887
   21    HE1  TRP   4           HE1      TRP   4 -19.453   7.128  -5.253
   22    HE3  TRP   4           HE3      TRP   4 -15.391   5.011  -2.572
   23    HZ2  TRP   4           HZ2      TRP   4 -17.054   7.007  -6.806
   24    HZ3  TRP   4           HZ3      TRP   4 -13.868   5.276  -4.506
   25    HH2  TRP   4           HH2      TRP   4 -14.692   6.271  -6.620
   26    H    LEU   5           HN       LEU   5 -17.737   3.582   1.343
   27    HA   LEU   5           HA       LEU   5 -14.985   4.114   1.855
   28   1HB   LEU   5          HB2       LEU   5 -17.060   3.894   3.416
   29   2HB   LEU   5          HB1       LEU   5 -16.678   2.171   3.433
   30    HG   LEU   5           HG       LEU   5 -14.241   3.020   3.982
   31   1HD1  LEU   5          HD11      LEU   5 -14.417   5.083   5.454
   32   2HD1  LEU   5          HD12      LEU   5 -16.018   5.345   4.764
   33   3HD1  LEU   5          HD13      LEU   5 -14.593   5.383   3.725
   34   1HD2  LEU   5          HD21      LEU   5 -16.419   3.203   6.085
   35   2HD2  LEU   5          HD22      LEU   5 -14.728   2.771   6.341
   36   3HD2  LEU   5          HD23      LEU   5 -15.793   1.679   5.454
   37    H    ARG   6           HN       ARG   6 -16.674   1.018   1.217
   38    HA   ARG   6           HA       ARG   6 -14.358  -0.674   1.535
   39   1HB   ARG   6          HB2       ARG   6 -16.909  -1.203   1.443
   40   2HB   ARG   6          HB1       ARG   6 -16.696  -1.199  -0.308
   41   1HG   ARG   6          HG2       ARG   6 -16.302  -3.440   0.156
   42   2HG   ARG   6          HG1       ARG   6 -14.662  -2.799   0.252
   43   1HD   ARG   6          HD2       ARG   6 -14.532  -3.131   2.517
   44   2HD   ARG   6          HD1       ARG   6 -16.225  -2.665   2.779
   45    HE   ARG   6           HE       ARG   6 -16.820  -4.930   1.767
   46   1HH1  ARG   6          HH21      ARG   6 -15.470  -5.041   4.544
   47   2HH1  ARG   6          HH22      ARG   6 -14.381  -6.367   4.313
   48   1HH2  ARG   6          HH11      ARG   6 -14.661  -6.334   0.847
   49   2HH2  ARG   6          HH12      ARG   6 -13.922  -7.103   2.212
   50    H    ASP   7           HN       ASP   7 -15.760   1.078  -1.225
   51    HA   ASP   7           HA       ASP   7 -14.192  -0.007  -3.340
   52   1HB   ASP   7          HB2       ASP   7 -16.220   1.597  -3.326
   53   2HB   ASP   7          HB1       ASP   7 -15.046   2.885  -3.057
   54    H    ILE   8           HN       ILE   8 -13.497   2.586  -0.998
   55    HA   ILE   8           HA       ILE   8 -10.895   3.218  -2.231
   56    HB   ILE   8           HB       ILE   8 -12.238   4.101   0.351
   57   1HG1  ILE   8          HG12      ILE   8 -12.009   5.888  -2.023
   58   2HG1  ILE   8          HG11      ILE   8 -13.180   4.574  -2.142
   59   1HG2  ILE   8          HG21      ILE   8  -9.640   4.716  -0.916
   60   2HG2  ILE   8          HG22      ILE   8 -10.150   4.912   0.760
   61   3HG2  ILE   8          HG23      ILE   8 -10.575   6.133  -0.440
   62   1HD1  ILE   8          HD11      ILE   8 -13.959   5.346   0.212
   63   2HD1  ILE   8          HD12      ILE   8 -14.429   6.322  -1.179
   64   3HD1  ILE   8          HD13      ILE   8 -13.090   6.836  -0.154
   65    H    TRP   9           HN       TRP   9 -12.113   1.606   0.722
   66    HA   TRP   9           HA       TRP   9  -9.653   1.123   2.041
   67   1HB   TRP   9          HB2       TRP   9 -12.068   0.738   2.800
   68   2HB   TRP   9          HB1       TRP   9 -12.003  -0.783   1.909
   69    HD1  TRP   9           HD1      TRP   9 -11.489  -2.708   3.478
   70    HE1  TRP   9           HE1      TRP   9  -9.962  -3.078   5.521
   71    HE3  TRP   9           HE3      TRP   9  -9.508   1.974   3.958
   72    HZ2  TRP   9           HZ2      TRP   9  -8.141  -1.584   7.145
   73    HZ3  TRP   9           HZ3      TRP   9  -7.883   2.473   5.760
   74    HH2  TRP   9           HH2      TRP   9  -7.196   0.701   7.352
   75    H    ASP  10           HN       ASP  10 -11.285  -0.828  -0.485
   76    HA   ASP  10           HA       ASP  10  -9.479  -3.039  -0.521
   77   1HB   ASP  10          HB2       ASP  10 -11.674  -2.925  -1.666
   78   2HB   ASP  10          HB1       ASP  10 -11.036  -1.705  -2.767
   79    H    TRP  11           HN       TRP  11  -9.412   0.040  -2.353
   80    HA   TRP  11           HA       TRP  11  -6.952  -0.528  -3.762
   81   1HB   TRP  11          HB2       TRP  11  -8.680   1.130  -4.441
   82   2HB   TRP  11          HB1       TRP  11  -8.277   2.108  -3.028
   83    HD1  TRP  11           HD1      TRP  11  -6.673   0.766  -6.263
   84    HE1  TRP  11           HE1      TRP  11  -4.750   2.348  -6.931
   85    HE3  TRP  11           HE3      TRP  11  -6.693   3.922  -2.250
   86    HZ2  TRP  11           HZ2      TRP  11  -3.400   4.651  -5.900
   87    HZ3  TRP  11           HZ3      TRP  11  -5.080   5.798  -2.117
   88    HH2  TRP  11           HH2      TRP  11  -3.435   6.166  -3.935
   89    H    ILE  12           HN       ILE  12  -7.707   1.143  -0.691
   90    HA   ILE  12           HA       ILE  12  -5.127   2.195  -0.103
   91    HB   ILE  12           HB       ILE  12  -7.445   1.163   1.555
   92   1HG1  ILE  12          HG12      ILE  12  -6.345   3.972   1.334
   93   2HG1  ILE  12          HG11      ILE  12  -7.487   3.333   0.152
   94   1HG2  ILE  12          HG21      ILE  12  -4.816   2.335   2.502
   95   2HG2  ILE  12          HG22      ILE  12  -5.576   0.827   3.016
   96   3HG2  ILE  12          HG23      ILE  12  -6.282   2.375   3.483
   97   1HD1  ILE  12          HD11      ILE  12  -9.182   3.029   1.795
   98   2HD1  ILE  12          HD12      ILE  12  -8.495   4.619   2.131
   99   3HD1  ILE  12          HD13      ILE  12  -8.038   3.233   3.122
  100    H    CYS  13           HN       CYS  13  -6.496  -1.054   0.410
  101    HA   CYS  13           HA       CYS  13  -4.211  -2.147   1.823
  102   1HB   CYS  13          HB2       CYS  13  -6.525  -3.052   1.878
  103   2HB   CYS  13          HB1       CYS  13  -6.406  -3.450   0.164
  104    HG   CYS  13           HG       CYS  13  -4.724  -5.304   0.700
  105    H    GLU  14           HN       GLU  14  -5.199  -1.964  -1.593
  106    HA   GLU  14           HA       GLU  14  -3.222  -3.663  -2.744
  107   1HB   GLU  14          HB2       GLU  14  -5.193  -1.666  -3.519
  108   2HB   GLU  14          HB1       GLU  14  -3.746  -1.540  -4.515
  109   1HG   GLU  14          HG2       GLU  14  -4.224  -3.455  -5.610
  110   2HG   GLU  14          HG1       GLU  14  -4.529  -4.320  -4.105
  111    H    VAL  15           HN       VAL  15  -3.147  -0.253  -1.803
  112    HA   VAL  15           HA       VAL  15  -0.443   0.208  -2.863
  113    HB   VAL  15           HB       VAL  15  -2.224   1.823  -0.998
  114   1HG1  VAL  15          HG11      VAL  15  -0.684   3.617  -2.357
  115   2HG1  VAL  15          HG12      VAL  15   0.446   2.271  -2.206
  116   3HG1  VAL  15          HG13      VAL  15  -0.273   2.985  -0.762
  117   1HG2  VAL  15          HG21      VAL  15  -2.258   3.076  -3.437
  118   2HG2  VAL  15          HG22      VAL  15  -3.504   1.960  -2.881
  119   3HG2  VAL  15          HG23      VAL  15  -2.203   1.382  -3.923
  120    H    LEU  16           HN       LEU  16  -1.949  -0.520   0.269
  121    HA   LEU  16           HA       LEU  16   0.207   0.012   2.030
  122   1HB   LEU  16          HB2       LEU  16  -2.199  -0.612   2.535
  123   2HB   LEU  16          HB1       LEU  16  -1.772  -2.284   2.172
  124    HG   LEU  16           HG       LEU  16   0.215  -1.322   3.952
  125   1HD1  LEU  16          HD11      LEU  16  -2.563  -0.823   5.049
  126   2HD1  LEU  16          HD12      LEU  16  -1.526   0.470   4.446
  127   3HD1  LEU  16          HD13      LEU  16  -1.019  -0.493   5.835
  128   1HD2  LEU  16          HD21      LEU  16  -0.529  -3.137   5.311
  129   2HD2  LEU  16          HD22      LEU  16  -0.858  -3.635   3.652
  130   3HD2  LEU  16          HD23      LEU  16  -2.169  -3.043   4.671
  131    H    SER  17           HN       SER  17  -0.527  -2.984   0.194
  132    HA   SER  17           HA       SER  17   1.628  -4.567   1.216
  133   1HB   SER  17          HB2       SER  17   1.237  -5.834  -0.946
  134   2HB   SER  17          HB1       SER  17  -0.220  -5.543  -0.004
  135    HG   SER  17           HG       SER  17  -0.946  -4.314  -1.553
  136    H    ASP  18           HN       ASP  18   1.435  -2.423  -1.649
  137    HA   ASP  18           HA       ASP  18   4.154  -2.876  -2.528
  138   1HB   ASP  18          HB2       ASP  18   2.392  -1.995  -3.985
  139   2HB   ASP  18          HB1       ASP  18   2.192  -0.592  -2.935
  140    H    PHE  19           HN       PHE  19   2.620  -0.494  -0.364
  141    HA   PHE  19           HA       PHE  19   4.781   1.291   0.055
  142   1HB   PHE  19          HB2       PHE  19   2.235   0.823   1.070
  143   2HB   PHE  19          HB1       PHE  19   3.270   0.541   2.467
  144    HD1  PHE  19           HD1      PHE  19   5.282   2.340   2.669
  145    HD2  PHE  19           HD2      PHE  19   1.508   3.009   0.729
  146    HE1  PHE  19           HE1      PHE  19   5.567   4.784   2.961
  147    HE2  PHE  19           HE2      PHE  19   1.794   5.456   1.022
  148    HZ   PHE  19           HZ       PHE  19   3.823   6.343   2.137
  149    H    LYS  20           HN       LYS  20   4.060  -1.847   1.573
  150    HA   LYS  20           HA       LYS  20   6.193  -1.893   3.485
  151   1HB   LYS  20          HB2       LYS  20   4.140  -3.399   3.253
  152   2HB   LYS  20          HB1       LYS  20   5.002  -4.233   1.959
  153   1HG   LYS  20          HG2       LYS  20   6.542  -5.175   3.399
  154   2HG   LYS  20          HG1       LYS  20   6.437  -3.844   4.553
  155   1HD   LYS  20          HD2       LYS  20   4.373  -4.634   5.439
  156   2HD   LYS  20          HD1       LYS  20   4.132  -5.745   4.091
  157   1HE   LYS  20          HE2       LYS  20   6.654  -6.161   5.594
  158   2HE   LYS  20          HE1       LYS  20   5.170  -6.516   6.499
  159   1HZ   LYS  20          HZ1       LYS  20   5.846  -7.530   3.784
  160   2HZ   LYS  20          HZ2       LYS  20   4.383  -7.819   4.598
  161   3HZ   LYS  20          HZ3       LYS  20   5.839  -8.444   5.212
  162    H    THR  21           HN       THR  21   6.005  -3.098   0.109
  163    HA   THR  21           HA       THR  21   8.730  -4.066  -0.007
  164    HB   THR  21           HB       THR  21   7.007  -3.063  -2.295
  165    HG1  THR  21           HG1      THR  21   6.845  -5.466  -0.804
  166   1HG2  THR  21          HG21      THR  21   9.513  -4.088  -2.353
  167   2HG2  THR  21          HG22      THR  21   8.345  -4.316  -3.655
  168   3HG2  THR  21          HG23      THR  21   8.572  -5.576  -2.442
  169    H    TRP  22           HN       TRP  22   7.174  -0.971  -0.840
  170    HA   TRP  22           HA       TRP  22   9.337   0.357  -2.103
  171   1HB   TRP  22          HB2       TRP  22   6.854   1.012  -1.653
  172   2HB   TRP  22          HB1       TRP  22   7.453   1.653  -0.127
  173    HD1  TRP  22           HD1      TRP  22   7.423   2.315  -3.846
  174    HE1  TRP  22           HE1      TRP  22   8.527   4.598  -4.313
  175    HE3  TRP  22           HE3      TRP  22   9.320   3.336   0.781
  176    HZ2  TRP  22           HZ2      TRP  22  10.021   6.594  -2.906
  177    HZ3  TRP  22           HZ3      TRP  22  10.577   5.431   1.193
  178    HH2  TRP  22           HH2      TRP  22  10.929   7.061  -0.644
  179    H    LEU  23           HN       LEU  23   8.463   0.245   1.360
  180    HA   LEU  23           HA       LEU  23  10.644   1.797   2.361
  181   1HB   LEU  23          HB2       LEU  23   8.555  -0.021   3.341
  182   2HB   LEU  23          HB1       LEU  23  10.017  -0.069   4.325
  183    HG   LEU  23           HG       LEU  23   9.898   2.540   4.187
  184   1HD1  LEU  23          HD11      LEU  23   6.984   1.841   3.735
  185   2HD1  LEU  23          HD12      LEU  23   8.046   2.458   2.470
  186   3HD1  LEU  23          HD13      LEU  23   7.684   3.452   3.879
  187   1HD2  LEU  23          HD21      LEU  23   8.428   2.570   6.180
  188   2HD2  LEU  23          HD22      LEU  23   9.569   1.228   6.252
  189   3HD2  LEU  23          HD23      LEU  23   7.889   0.934   5.804
  190    H    LYS  24           HN       LYS  24  10.353  -1.730   1.783
  191    HA   LYS  24           HA       LYS  24  12.962  -2.406   2.840
  192   1HB   LYS  24          HB2       LYS  24  10.811  -3.821   2.271
  193   2HB   LYS  24          HB1       LYS  24  11.546  -3.941   0.672
  194   1HG   LYS  24          HG2       LYS  24  13.463  -5.051   1.507
  195   2HG   LYS  24          HG1       LYS  24  13.119  -4.573   3.170
  196   1HD   LYS  24          HD2       LYS  24  12.168  -6.615   3.394
  197   2HD   LYS  24          HD1       LYS  24  10.832  -5.958   2.447
  198   1HE   LYS  24          HE2       LYS  24  11.861  -6.768   0.369
  199   2HE   LYS  24          HE1       LYS  24  13.262  -7.369   1.279
  200   1HZ   LYS  24          HZ1       LYS  24  10.435  -8.200   1.699
  201   2HZ   LYS  24          HZ2       LYS  24  11.773  -8.753   2.593
  202   3HZ   LYS  24          HZ3       LYS  24  11.635  -9.133   0.943
  203    H    ALA  25           HN       ALA  25  11.748  -1.574  -0.405
  204    HA   ALA  25           HA       ALA  25  14.147  -2.121  -1.883
  205   1HB   ALA  25          HB1       ALA  25  12.068   0.023  -2.413
  206   2HB   ALA  25          HB2       ALA  25  11.773  -1.691  -2.708
  207   3HB   ALA  25          HB3       ALA  25  13.035  -0.846  -3.604
  208    H    LYS  26           HN       LYS  26  13.006   0.783  -0.152
  209    HA   LYS  26           HA       LYS  26  15.176   2.510  -0.999
  210   1HB   LYS  26          HB2       LYS  26  12.765   2.877   0.120
  211   2HB   LYS  26          HB1       LYS  26  13.732   2.888   1.595
  212   1HG   LYS  26          HG2       LYS  26  14.866   4.494  -0.605
  213   2HG   LYS  26          HG1       LYS  26  13.314   5.080  -0.007
  214   1HD   LYS  26          HD2       LYS  26  14.244   4.951   2.328
  215   2HD   LYS  26          HD1       LYS  26  15.816   4.566   1.626
  216   1HE   LYS  26          HE2       LYS  26  15.459   6.741   0.214
  217   2HE   LYS  26          HE1       LYS  26  14.261   7.146   1.459
  218   1HZ   LYS  26          HZ1       LYS  26  17.120   6.452   1.892
  219   2HZ   LYS  26          HZ2       LYS  26  15.982   6.612   3.145
  220   3HZ   LYS  26          HZ3       LYS  26  16.383   7.953   2.181
  221    H    LEU  27           HN       LEU  27  14.741   0.217   1.665
  222    HA   LEU  27           HA       LEU  27  16.927   1.088   3.320
  223   1HB   LEU  27          HB2       LEU  27  14.951  -0.477   3.821
  224   2HB   LEU  27          HB1       LEU  27  15.876  -1.735   3.000
  225    HG   LEU  27           HG       LEU  27  17.594  -0.371   4.865
  226   1HD1  LEU  27          HD11      LEU  27  15.286   0.078   5.918
  227   2HD1  LEU  27          HD12      LEU  27  16.493  -0.706   6.939
  228   3HD1  LEU  27          HD13      LEU  27  15.211  -1.662   6.197
  229   1HD2  LEU  27          HD21      LEU  27  17.957  -2.624   5.678
  230   2HD2  LEU  27          HD22      LEU  27  17.785  -2.704   3.924
  231   3HD2  LEU  27          HD23      LEU  27  16.441  -3.175   4.965
  232    H    MET  28           HN       MET  28  16.781  -0.912   0.414
  233    HA   MET  28           HA       MET  28  19.289  -2.267   0.648
  234   1HB   MET  28          HB2       MET  28  17.418  -2.721  -0.968
  235   2HB   MET  28          HB1       MET  28  17.871  -1.256  -1.840
  236   1HG   MET  28          HG2       MET  28  20.116  -2.176  -2.250
  237   2HG   MET  28          HG1       MET  28  19.694  -3.633  -1.352
  238   1HE   MET  28          HE1       MET  28  20.606  -2.643  -4.401
  239   2HE   MET  28          HE2       MET  28  19.867  -3.812  -5.493
  240   3HE   MET  28          HE3       MET  28  20.760  -4.377  -4.083
  241    HA   PRO  29           HA       PRO  29  21.924   1.309   0.182
  242   1HB   PRO  29          HB2       PRO  29  24.299  -0.051   0.166
  243   2HB   PRO  29          HB1       PRO  29  23.377   0.275   1.645
  244   1HG   PRO  29          HG2       PRO  29  23.562  -2.220   0.040
  245   2HG   PRO  29          HG1       PRO  29  23.463  -2.011   1.794
  246   1HD   PRO  29          HD2       PRO  29  21.347  -2.743   0.220
  247   2HD   PRO  29          HD1       PRO  29  21.182  -1.910   1.782
  248    H    GLN  30           HN       GLN  30  24.116   1.564  -1.300
  249    HA   GLN  30           HA       GLN  30  23.188   1.196  -4.069
  250   1HB   GLN  30          HB2       GLN  30  25.555   2.511  -2.711
  251   2HB   GLN  30          HB1       GLN  30  25.385   2.469  -4.466
  252   1HG   GLN  30          HG2       GLN  30  23.291   3.674  -4.361
  253   2HG   GLN  30          HG1       GLN  30  23.263   3.565  -2.600
  254   1HE2  GLN  30          HE21      GLN  30  25.138   4.709  -1.445
  255   2HE2  GLN  30          HE22      GLN  30  25.776   6.108  -2.164
  256    H    LEU  31           HN       LEU  31  23.362  -1.075  -4.464
  257    HA   LEU  31           HA       LEU  31  26.153  -2.185  -4.401
  258   1HB   LEU  31          HB2       LEU  31  23.592  -3.101  -3.384
  259   2HB   LEU  31          HB1       LEU  31  24.252  -4.271  -4.523
  260    HG   LEU  31           HG       LEU  31  25.033  -4.753  -2.241
  261   1HD1  LEU  31          HD11      LEU  31  26.526  -4.955  -4.373
  262   2HD1  LEU  31          HD12      LEU  31  27.288  -5.103  -2.789
  263   3HD1  LEU  31          HD13      LEU  31  27.404  -3.589  -3.686
  264   1HD2  LEU  31          HD21      LEU  31  26.561  -2.155  -2.276
  265   2HD2  LEU  31          HD22      LEU  31  26.184  -3.196  -0.903
  266   3HD2  LEU  31          HD23      LEU  31  24.917  -2.216  -1.640
  Start of MODEL   11
    1   1H    SER   1           HT1      SER   1 -24.798  10.182  -5.934
    2   2H    SER   1           HT2      SER   1 -23.606   9.276  -6.738
    3   3H    SER   1           HT3      SER   1 -23.332  10.914  -6.379
    4    HA   SER   1           HA       SER   1 -22.116   9.483  -4.832
    5   1HB   SER   1          HB2       SER   1 -23.950  11.611  -4.339
    6   2HB   SER   1          HB1       SER   1 -24.049  10.512  -2.967
    7    HG   SER   1           HG       SER   1 -22.378  12.053  -2.713
    8    H    GLY   2           HN       GLY   2 -22.331   7.991  -2.974
    9   1HA   GLY   2          HA2       GLY   2 -24.689   6.708  -2.123
   10   2HA   GLY   2          HA1       GLY   2 -24.095   5.780  -3.501
   11    H    SER   3           HN       SER   3 -22.699   4.167  -2.992
   12    HA   SER   3           HA       SER   3 -21.266   4.297  -0.362
   13   1HB   SER   3          HB2       SER   3 -21.193   1.782  -0.723
   14   2HB   SER   3          HB1       SER   3 -22.814   2.454  -0.562
   15    HG   SER   3           HG       SER   3 -23.178   1.641  -2.459
   16    H    TRP   4           HN       TRP   4 -19.937   5.796  -2.144
   17    HA   TRP   4           HA       TRP   4 -18.076   4.246  -3.807
   18   1HB   TRP   4          HB2       TRP   4 -19.035   6.920  -3.526
   19   2HB   TRP   4          HB1       TRP   4 -17.283   6.972  -3.362
   20    HD1  TRP   4           HD1      TRP   4 -19.961   6.751  -5.898
   21    HE1  TRP   4           HE1      TRP   4 -18.966   6.254  -8.224
   22    HE3  TRP   4           HE3      TRP   4 -15.204   5.470  -4.562
   23    HZ2  TRP   4           HZ2      TRP   4 -16.476   5.419  -9.365
   24    HZ3  TRP   4           HZ3      TRP   4 -13.543   4.828  -6.283
   25    HH2  TRP   4           HH2      TRP   4 -14.172   4.801  -8.682
   26    H    LEU   5           HN       LEU   5 -17.719   3.171  -1.365
   27    HA   LEU   5           HA       LEU   5 -15.204   4.430  -0.306
   28   1HB   LEU   5          HB2       LEU   5 -17.609   4.083   0.977
   29   2HB   LEU   5          HB1       LEU   5 -16.752   2.613   1.439
   30    HG   LEU   5           HG       LEU   5 -15.236   5.179   1.586
   31   1HD1  LEU   5          HD11      LEU   5 -16.199   5.833   3.675
   32   2HD1  LEU   5          HD12      LEU   5 -17.159   4.357   3.773
   33   3HD1  LEU   5          HD13      LEU   5 -17.554   5.587   2.573
   34   1HD2  LEU   5          HD21      LEU   5 -15.441   2.698   3.327
   35   2HD2  LEU   5          HD22      LEU   5 -14.320   4.033   3.598
   36   3HD2  LEU   5          HD23      LEU   5 -14.171   3.037   2.150
   37    H    ARG   6           HN       ARG   6 -16.936   1.331  -0.815
   38    HA   ARG   6           HA       ARG   6 -14.882  -0.477  -0.101
   39   1HB   ARG   6          HB2       ARG   6 -17.378  -0.765  -0.845
   40   2HB   ARG   6          HB1       ARG   6 -16.701  -0.903  -2.468
   41   1HG   ARG   6          HG2       ARG   6 -16.371  -3.089  -1.999
   42   2HG   ARG   6          HG1       ARG   6 -15.061  -2.556  -0.947
   43   1HD   ARG   6          HD2       ARG   6 -16.205  -3.389   0.822
   44   2HD   ARG   6          HD1       ARG   6 -17.487  -2.202   0.512
   45    HE   ARG   6           HE       ARG   6 -18.379  -3.893  -1.189
   46   1HH1  ARG   6          HH11      ARG   6 -16.272  -5.935  -1.063
   47   2HH1  ARG   6          HH12      ARG   6 -16.881  -7.067   0.096
   48   1HH2  ARG   6          HH21      ARG   6 -19.226  -4.861   1.409
   49   2HH2  ARG   6          HH22      ARG   6 -18.560  -6.457   1.502
   50    H    ASP   7           HN       ASP   7 -15.392   1.266  -3.171
   51    HA   ASP   7           HA       ASP   7 -13.455  -0.059  -4.784
   52   1HB   ASP   7          HB2       ASP   7 -15.255   1.666  -5.379
   53   2HB   ASP   7          HB1       ASP   7 -14.126   2.896  -4.813
   54    H    ILE   8           HN       ILE   8 -13.109   2.749  -2.594
   55    HA   ILE   8           HA       ILE   8 -10.220   2.971  -3.103
   56    HB   ILE   8           HB       ILE   8 -12.137   4.280  -1.140
   57   1HG1  ILE   8          HG12      ILE   8 -11.039   6.072  -3.068
   58   2HG1  ILE   8          HG11      ILE   8 -11.601   4.647  -3.942
   59   1HG2  ILE   8          HG21      ILE   8  -9.198   4.707  -1.693
   60   2HG2  ILE   8          HG22      ILE   8 -10.007   4.527  -0.137
   61   3HG2  ILE   8          HG23      ILE   8 -10.208   6.011  -1.068
   62   1HD1  ILE   8          HD11      ILE   8 -13.459   6.180  -3.777
   63   2HD1  ILE   8          HD12      ILE   8 -13.209   6.374  -2.043
   64   3HD1  ILE   8          HD13      ILE   8 -13.779   4.834  -2.685
   65    H    TRP   9           HN       TRP   9 -12.344   1.500  -0.686
   66    HA   TRP   9           HA       TRP   9 -10.579   1.103   1.478
   67   1HB   TRP   9          HB2       TRP   9 -13.084   0.558   1.160
   68   2HB   TRP   9          HB1       TRP   9 -12.538  -0.963   0.454
   69    HD1  TRP   9           HD1      TRP   9 -12.516  -2.828   2.167
   70    HE1  TRP   9           HE1      TRP   9 -12.004  -3.028   4.685
   71    HE3  TRP   9           HE3      TRP   9 -11.452   2.049   3.241
   72    HZ2  TRP   9           HZ2      TRP   9 -11.244  -1.342   6.868
   73    HZ3  TRP   9           HZ3      TRP   9 -10.838   2.724   5.544
   74    HH2  TRP   9           HH2      TRP   9 -10.732   1.036   7.358
   75    H    ASP  10           HN       ASP  10 -11.040  -0.985  -1.410
   76    HA   ASP  10           HA       ASP  10  -9.122  -2.991  -0.696
   77   1HB   ASP  10          HB2       ASP  10 -10.772  -3.324  -2.443
   78   2HB   ASP  10          HB1       ASP  10 -10.160  -1.939  -3.349
   79    H    TRP  11           HN       TRP  11  -8.791   0.004  -2.638
   80    HA   TRP  11           HA       TRP  11  -6.043  -0.272  -3.344
   81   1HB   TRP  11          HB2       TRP  11  -7.481   1.374  -4.375
   82   2HB   TRP  11          HB1       TRP  11  -7.847   2.113  -2.817
   83    HD1  TRP  11           HD1      TRP  11  -4.848   1.567  -5.185
   84    HE1  TRP  11           HE1      TRP  11  -3.190   3.513  -4.847
   85    HE3  TRP  11           HE3      TRP  11  -7.142   4.025  -1.342
   86    HZ2  TRP  11           HZ2      TRP  11  -2.879   5.809  -3.169
   87    HZ3  TRP  11           HZ3      TRP  11  -6.146   6.085  -0.394
   88    HH2  TRP  11           HH2      TRP  11  -4.019   6.980  -1.301
   89    H    ILE  12           HN       ILE  12  -7.576   1.130  -0.436
   90    HA   ILE  12           HA       ILE  12  -5.218   2.146   0.827
   91    HB   ILE  12           HB       ILE  12  -7.851   1.037   1.860
   92   1HG1  ILE  12          HG12      ILE  12  -6.953   3.912   1.883
   93   2HG1  ILE  12          HG11      ILE  12  -7.596   3.206   0.402
   94   1HG2  ILE  12          HG21      ILE  12  -5.476   2.134   3.316
   95   2HG2  ILE  12          HG22      ILE  12  -6.621   0.889   3.816
   96   3HG2  ILE  12          HG23      ILE  12  -7.082   2.590   3.886
   97   1HD1  ILE  12          HD11      ILE  12  -9.699   2.755   1.394
   98   2HD1  ILE  12          HD12      ILE  12  -9.278   4.365   1.976
   99   3HD1  ILE  12          HD13      ILE  12  -9.067   2.964   3.027
  100    H    CYS  13           HN       CYS  13  -6.711  -1.087   0.835
  101    HA   CYS  13           HA       CYS  13  -4.916  -2.289   2.758
  102   1HB   CYS  13          HB2       CYS  13  -7.238  -3.022   1.846
  103   2HB   CYS  13          HB1       CYS  13  -6.335  -3.697   0.489
  104    HG   CYS  13           HG       CYS  13  -5.765  -5.617   1.934
  105    H    GLU  14           HN       GLU  14  -4.845  -1.865  -0.773
  106    HA   GLU  14           HA       GLU  14  -2.611  -3.596  -1.322
  107   1HB   GLU  14          HB2       GLU  14  -4.360  -1.704  -2.650
  108   2HB   GLU  14          HB1       GLU  14  -2.696  -1.470  -3.183
  109   1HG   GLU  14          HG2       GLU  14  -2.820  -3.317  -4.459
  110   2HG   GLU  14          HG1       GLU  14  -3.217  -4.288  -3.041
  111    H    VAL  15           HN       VAL  15  -2.867  -0.129  -0.583
  112    HA   VAL  15           HA       VAL  15  -0.071   0.503  -0.911
  113    HB   VAL  15           HB       VAL  15  -2.310   1.751   0.723
  114   1HG1  VAL  15          HG11      VAL  15  -0.502   2.815   1.681
  115   2HG1  VAL  15          HG12      VAL  15  -0.662   3.813   0.235
  116   3HG1  VAL  15          HG13      VAL  15   0.542   2.525   0.288
  117   1HG2  VAL  15          HG21      VAL  15  -1.692   3.384  -1.438
  118   2HG2  VAL  15          HG22      VAL  15  -3.057   2.271  -1.355
  119   3HG2  VAL  15          HG23      VAL  15  -1.548   1.760  -2.110
  120    H    LEU  16           HN       LEU  16  -1.995  -0.716   1.816
  121    HA   LEU  16           HA       LEU  16  -0.087  -0.357   3.915
  122   1HB   LEU  16          HB2       LEU  16  -2.502  -0.957   4.144
  123   2HB   LEU  16          HB1       LEU  16  -2.144  -2.555   3.488
  124    HG   LEU  16           HG       LEU  16  -0.304  -1.975   5.628
  125   1HD1  LEU  16          HD11      LEU  16  -2.046  -0.451   6.461
  126   2HD1  LEU  16          HD12      LEU  16  -1.937  -1.880   7.489
  127   3HD1  LEU  16          HD13      LEU  16  -3.249  -1.733   6.320
  128   1HD2  LEU  16          HD21      LEU  16  -1.124  -4.090   6.470
  129   2HD2  LEU  16          HD22      LEU  16  -1.056  -4.208   4.712
  130   3HD2  LEU  16          HD23      LEU  16  -2.603  -3.951   5.519
  131    H    SER  17           HN       SER  17  -0.663  -3.148   1.732
  132    HA   SER  17           HA       SER  17   1.587  -4.687   2.774
  133   1HB   SER  17          HB2       SER  17   1.045  -6.087   0.739
  134   2HB   SER  17          HB1       SER  17  -0.343  -5.777   1.776
  135    HG   SER  17           HG       SER  17   0.270  -4.804  -0.767
  136    H    ASP  18           HN       ASP  18   1.036  -2.496   0.033
  137    HA   ASP  18           HA       ASP  18   3.531  -2.939  -1.329
  138   1HB   ASP  18          HB2       ASP  18   1.628  -1.881  -2.398
  139   2HB   ASP  18          HB1       ASP  18   1.603  -0.602  -1.185
  140    H    PHE  19           HN       PHE  19   2.587  -0.803   1.354
  141    HA   PHE  19           HA       PHE  19   4.683   1.032   1.480
  142   1HB   PHE  19          HB2       PHE  19   2.647   0.024   3.137
  143   2HB   PHE  19          HB1       PHE  19   4.124  -0.164   4.077
  144    HD1  PHE  19           HD1      PHE  19   5.779   1.928   3.960
  145    HD2  PHE  19           HD2      PHE  19   1.550   2.083   3.215
  146    HE1  PHE  19           HE1      PHE  19   5.782   4.359   4.451
  147    HE2  PHE  19           HE2      PHE  19   1.554   4.514   3.704
  148    HZ   PHE  19           HZ       PHE  19   3.669   5.652   4.322
  149    H    LYS  20           HN       LYS  20   4.725  -2.353   2.626
  150    HA   LYS  20           HA       LYS  20   7.398  -2.316   3.701
  151   1HB   LYS  20          HB2       LYS  20   5.502  -3.975   4.087
  152   2HB   LYS  20          HB1       LYS  20   5.881  -4.653   2.504
  153   1HG   LYS  20          HG2       LYS  20   8.255  -4.311   4.189
  154   2HG   LYS  20          HG1       LYS  20   7.063  -5.401   4.897
  155   1HD   LYS  20          HD2       LYS  20   6.962  -6.580   2.650
  156   2HD   LYS  20          HD1       LYS  20   8.357  -5.615   2.169
  157   1HE   LYS  20          HE2       LYS  20   9.397  -7.551   3.000
  158   2HE   LYS  20          HE1       LYS  20   9.378  -6.524   4.446
  159   1HZ   LYS  20          HZ1       LYS  20   7.475  -7.575   5.263
  160   2HZ   LYS  20          HZ2       LYS  20   8.412  -8.861   4.669
  161   3HZ   LYS  20          HZ3       LYS  20   7.093  -8.282   3.768
  162    H    THR  21           HN       THR  21   6.100  -3.125   0.474
  163    HA   THR  21           HA       THR  21   8.709  -3.895  -0.611
  164    HB   THR  21           HB       THR  21   6.230  -3.120  -2.162
  165    HG1  THR  21           HG1      THR  21   6.724  -5.519  -0.728
  166   1HG2  THR  21          HG21      THR  21   7.938  -5.519  -2.690
  167   2HG2  THR  21          HG22      THR  21   8.579  -3.929  -3.104
  168   3HG2  THR  21          HG23      THR  21   7.071  -4.487  -3.827
  169    H    TRP  22           HN       TRP  22   6.641  -1.003  -0.653
  170    HA   TRP  22           HA       TRP  22   7.940   0.577  -2.601
  171   1HB   TRP  22          HB2       TRP  22   5.847   0.921  -1.036
  172   2HB   TRP  22          HB1       TRP  22   7.008   1.692   0.039
  173    HD1  TRP  22           HD1      TRP  22   5.480   2.035  -3.459
  174    HE1  TRP  22           HE1      TRP  22   5.833   4.456  -4.274
  175    HE3  TRP  22           HE3      TRP  22   8.436   3.812   0.308
  176    HZ2  TRP  22           HZ2      TRP  22   7.189   6.834  -3.435
  177    HZ3  TRP  22           HZ3      TRP  22   9.243   6.154   0.276
  178    HH2  TRP  22           HH2      TRP  22   8.623   7.667  -1.588
  179    H    LEU  23           HN       LEU  23   8.616   0.388   0.906
  180    HA   LEU  23           HA       LEU  23  10.948   2.087   0.854
  181   1HB   LEU  23          HB2       LEU  23   9.517   0.278   2.706
  182   2HB   LEU  23          HB1       LEU  23  11.240   0.448   3.042
  183    HG   LEU  23           HG       LEU  23  10.744   3.019   2.702
  184   1HD1  LEU  23          HD11      LEU  23   8.490   3.643   3.429
  185   2HD1  LEU  23          HD12      LEU  23   8.043   1.943   3.568
  186   3HD1  LEU  23          HD13      LEU  23   8.393   2.637   1.984
  187   1HD2  LEU  23          HD21      LEU  23  10.512   3.238   5.078
  188   2HD2  LEU  23          HD22      LEU  23  11.445   1.765   4.815
  189   3HD2  LEU  23          HD23      LEU  23   9.731   1.663   5.215
  190    H    LYS  24           HN       LYS  24  10.519  -1.453   0.602
  191    HA   LYS  24           HA       LYS  24  13.306  -2.163   0.677
  192   1HB   LYS  24          HB2       LYS  24  10.707  -3.366   0.156
  193   2HB   LYS  24          HB1       LYS  24  11.924  -4.004  -0.948
  194   1HG   LYS  24          HG2       LYS  24  12.292  -3.840   2.058
  195   2HG   LYS  24          HG1       LYS  24  11.743  -5.285   1.211
  196   1HD   LYS  24          HD2       LYS  24  14.314  -3.883   0.462
  197   2HD   LYS  24          HD1       LYS  24  14.263  -5.125   1.712
  198   1HE   LYS  24          HE2       LYS  24  12.953  -5.778  -0.898
  199   2HE   LYS  24          HE1       LYS  24  14.726  -5.759  -0.852
  200   1HZ   LYS  24          HZ1       LYS  24  12.995  -7.187   1.101
  201   2HZ   LYS  24          HZ2       LYS  24  14.695  -7.208   1.056
  202   3HZ   LYS  24          HZ3       LYS  24  13.799  -7.929  -0.195
  203    H    ALA  25           HN       ALA  25  11.110  -1.324  -2.011
  204    HA   ALA  25           HA       ALA  25  13.122  -1.784  -4.081
  205   1HB   ALA  25          HB1       ALA  25  10.564  -0.170  -4.232
  206   2HB   ALA  25          HB2       ALA  25  10.574  -1.934  -4.237
  207   3HB   ALA  25          HB3       ALA  25  11.366  -1.045  -5.537
  208    H    LYS  26           HN       LYS  26  12.216   0.919  -2.030
  209    HA   LYS  26           HA       LYS  26  13.380   2.989  -3.732
  210   1HB   LYS  26          HB2       LYS  26  11.541   2.996  -1.806
  211   2HB   LYS  26          HB1       LYS  26  12.946   3.286  -0.781
  212   1HG   LYS  26          HG2       LYS  26  12.237   5.456  -1.378
  213   2HG   LYS  26          HG1       LYS  26  13.561   5.126  -2.497
  214   1HD   LYS  26          HD2       LYS  26  11.765   4.247  -4.112
  215   2HD   LYS  26          HD1       LYS  26  10.591   5.016  -3.045
  216   1HE   LYS  26          HE2       LYS  26  12.936   6.656  -3.941
  217   2HE   LYS  26          HE1       LYS  26  11.627   6.359  -5.102
  218   1HZ   LYS  26          HZ1       LYS  26  10.026   7.147  -3.531
  219   2HZ   LYS  26          HZ2       LYS  26  11.238   8.330  -3.670
  220   3HZ   LYS  26          HZ3       LYS  26  11.201   7.303  -2.317
  221    H    LEU  27           HN       LEU  27  14.436   1.218  -0.796
  222    HA   LEU  27           HA       LEU  27  17.236   2.125  -1.384
  223   1HB   LEU  27          HB2       LEU  27  15.984   3.361   0.482
  224   2HB   LEU  27          HB1       LEU  27  16.033   1.845   1.381
  225    HG   LEU  27           HG       LEU  27  18.573   1.870   0.933
  226   1HD1  LEU  27          HD11      LEU  27  17.842   4.739   0.274
  227   2HD1  LEU  27          HD12      LEU  27  18.633   3.578  -0.792
  228   3HD1  LEU  27          HD13      LEU  27  19.482   4.193   0.625
  229   1HD2  LEU  27          HD21      LEU  27  17.142   3.837   2.732
  230   2HD2  LEU  27          HD22      LEU  27  18.892   3.623   2.792
  231   3HD2  LEU  27          HD23      LEU  27  17.826   2.267   3.159
  232    H    MET  28           HN       MET  28  18.619   0.414  -1.507
  233    HA   MET  28           HA       MET  28  18.441  -1.907   0.241
  234   1HB   MET  28          HB2       MET  28  16.959  -1.853  -2.235
  235   2HB   MET  28          HB1       MET  28  18.211  -3.092  -2.333
  236   1HG   MET  28          HG2       MET  28  16.826  -3.054   0.257
  237   2HG   MET  28          HG1       MET  28  15.757  -3.405  -1.100
  238   1HE   MET  28          HE1       MET  28  19.402  -4.210   0.206
  239   2HE   MET  28          HE2       MET  28  19.122  -5.887   0.666
  240   3HE   MET  28          HE3       MET  28  18.151  -4.609   1.392
  241    HA   PRO  29           HA       PRO  29  22.106  -2.570  -2.720
  242   1HB   PRO  29          HB2       PRO  29  22.316  -1.070  -5.002
  243   2HB   PRO  29          HB1       PRO  29  21.437  -2.604  -4.930
  244   1HG   PRO  29          HG2       PRO  29  20.390   0.172  -4.907
  245   2HG   PRO  29          HG1       PRO  29  19.716  -1.285  -5.652
  246   1HD   PRO  29          HD2       PRO  29  18.825  -0.201  -3.295
  247   2HD   PRO  29          HD1       PRO  29  18.629  -1.905  -3.755
  248    H    GLN  30           HN       GLN  30  22.184   0.626  -4.158
  249    HA   GLN  30           HA       GLN  30  23.502   2.514  -3.671
  250   1HB   GLN  30          HB2       GLN  30  21.680   2.493  -1.898
  251   2HB   GLN  30          HB1       GLN  30  22.849   1.740  -0.812
  252   1HG   GLN  30          HG2       GLN  30  23.950   3.688  -0.465
  253   2HG   GLN  30          HG1       GLN  30  23.912   4.113  -2.176
  254   1HE2  GLN  30          HE21      GLN  30  22.085   5.379  -2.955
  255   2HE2  GLN  30          HE22      GLN  30  20.994   6.120  -1.886
  256    H    LEU  31           HN       LEU  31  25.389   1.111  -4.403
  257    HA   LEU  31           HA       LEU  31  27.133   0.007  -2.300
  258   1HB   LEU  31          HB2       LEU  31  28.502  -0.659  -4.213
  259   2HB   LEU  31          HB1       LEU  31  26.811  -1.008  -4.566
  260    HG   LEU  31           HG       LEU  31  27.252   1.654  -5.424
  261   1HD1  LEU  31          HD11      LEU  31  29.116   1.378  -7.012
  262   2HD1  LEU  31          HD12      LEU  31  29.418  -0.243  -6.386
  263   3HD1  LEU  31          HD13      LEU  31  29.676   1.165  -5.353
  264   1HD2  LEU  31          HD21      LEU  31  26.804   0.671  -7.649
  265   2HD2  LEU  31          HD22      LEU  31  25.720  -0.002  -6.431
  266   3HD2  LEU  31          HD23      LEU  31  27.103  -0.940  -6.997
  Start of MODEL   12
    1   1H    SER   1           HT1      SER   1 -12.199   2.793  -9.068
    2   2H    SER   1           HT2      SER   1 -13.283   4.063  -9.384
    3   3H    SER   1           HT3      SER   1 -11.659   4.189  -9.866
    4    HA   SER   1           HA       SER   1 -12.910   3.688 -11.817
    5   1HB   SER   1          HB2       SER   1 -11.434   1.337 -10.593
    6   2HB   SER   1          HB1       SER   1 -11.845   1.453 -12.302
    7    HG   SER   1           HG       SER   1 -10.174   2.696 -12.527
    8    H    GLY   2           HN       GLY   2 -13.353   0.956  -9.504
    9   1HA   GLY   2          HA2       GLY   2 -15.799   0.118 -10.887
   10   2HA   GLY   2          HA1       GLY   2 -15.101  -0.643  -9.458
   11    H    SER   3           HN       SER   3 -15.054   1.213  -7.549
   12    HA   SER   3           HA       SER   3 -17.792   2.430  -7.442
   13   1HB   SER   3          HB2       SER   3 -18.092   1.448  -5.251
   14   2HB   SER   3          HB1       SER   3 -17.579   0.158  -6.336
   15    HG   SER   3           HG       SER   3 -15.624   0.146  -5.413
   16    H    TRP   4           HN       TRP   4 -17.570   3.459  -4.840
   17    HA   TRP   4           HA       TRP   4 -15.333   5.431  -5.153
   18   1HB   TRP   4          HB2       TRP   4 -18.096   5.740  -5.004
   19   2HB   TRP   4          HB1       TRP   4 -17.555   6.120  -3.369
   20    HD1  TRP   4           HD1      TRP   4 -17.687   7.491  -6.835
   21    HE1  TRP   4           HE1      TRP   4 -16.513   9.783  -6.922
   22    HE3  TRP   4           HE3      TRP   4 -15.431   7.499  -2.254
   23    HZ2  TRP   4           HZ2      TRP   4 -14.838  11.408  -5.264
   24    HZ3  TRP   4           HZ3      TRP   4 -14.055   9.429  -1.533
   25    HH2  TRP   4           HH2      TRP   4 -13.756  11.382  -3.031
   26    H    LEU   5           HN       LEU   5 -17.252   3.660  -2.692
   27    HA   LEU   5           HA       LEU   5 -15.314   4.302  -0.571
   28   1HB   LEU   5          HB2       LEU   5 -17.820   4.159  -0.309
   29   2HB   LEU   5          HB1       LEU   5 -17.696   2.421  -0.585
   30    HG   LEU   5           HG       LEU   5 -15.776   3.258   1.416
   31   1HD1  LEU   5          HD11      LEU   5 -17.178   4.139   3.103
   32   2HD1  LEU   5          HD12      LEU   5 -18.648   3.695   2.235
   33   3HD1  LEU   5          HD13      LEU   5 -17.650   5.029   1.655
   34   1HD2  LEU   5          HD21      LEU   5 -16.663   0.955   1.014
   35   2HD2  LEU   5          HD22      LEU   5 -18.240   1.492   1.596
   36   3HD2  LEU   5          HD23      LEU   5 -16.856   1.471   2.690
   37    H    ARG   6           HN       ARG   6 -16.484   1.275  -2.138
   38    HA   ARG   6           HA       ARG   6 -14.627  -0.475  -0.836
   39   1HB   ARG   6          HB2       ARG   6 -16.803  -0.833  -2.308
   40   2HB   ARG   6          HB1       ARG   6 -15.632  -0.970  -3.619
   41   1HG   ARG   6          HG2       ARG   6 -14.391  -2.661  -2.167
   42   2HG   ARG   6          HG1       ARG   6 -15.807  -2.661  -1.116
   43   1HD   ARG   6          HD2       ARG   6 -16.654  -4.264  -2.493
   44   2HD   ARG   6          HD1       ARG   6 -16.877  -2.971  -3.688
   45    HE   ARG   6           HE       ARG   6 -14.152  -4.078  -3.584
   46   1HH1  ARG   6          HH11      ARG   6 -15.108  -2.845  -6.054
   47   2HH1  ARG   6          HH12      ARG   6 -15.563  -4.195  -7.039
   48   1HH2  ARG   6          HH21      ARG   6 -15.669  -6.427  -4.372
   49   2HH2  ARG   6          HH22      ARG   6 -15.879  -6.235  -6.081
   50    H    ASP   7           HN       ASP   7 -14.388   1.371  -3.883
   51    HA   ASP   7           HA       ASP   7 -11.962   0.202  -4.857
   52   1HB   ASP   7          HB2       ASP   7 -13.772   2.349  -5.458
   53   2HB   ASP   7          HB1       ASP   7 -12.125   2.972  -5.538
   54    H    ILE   8           HN       ILE   8 -12.515   3.083  -2.792
   55    HA   ILE   8           HA       ILE   8  -9.701   3.715  -2.492
   56    HB   ILE   8           HB       ILE   8 -12.262   4.441  -1.045
   57   1HG1  ILE   8          HG12      ILE   8 -10.336   6.093  -2.713
   58   2HG1  ILE   8          HG11      ILE   8 -11.789   5.326  -3.355
   59   1HG2  ILE   8          HG21      ILE   8 -10.607   4.611   0.677
   60   2HG2  ILE   8          HG22      ILE   8 -10.815   6.246   0.050
   61   3HG2  ILE   8          HG23      ILE   8  -9.418   5.288  -0.436
   62   1HD1  ILE   8          HD11      ILE   8 -13.107   6.581  -1.586
   63   2HD1  ILE   8          HD12      ILE   8 -12.378   7.596  -2.830
   64   3HD1  ILE   8          HD13      ILE   8 -11.633   7.484  -1.236
   65    H    TRP   9           HN       TRP   9 -12.068   1.990  -0.418
   66    HA   TRP   9           HA       TRP   9 -10.330   1.440   1.777
   67   1HB   TRP   9          HB2       TRP   9 -12.883   1.173   1.486
   68   2HB   TRP   9          HB1       TRP   9 -12.513  -0.386   0.749
   69    HD1  TRP   9           HD1      TRP   9 -12.786  -2.236   2.457
   70    HE1  TRP   9           HE1      TRP   9 -12.236  -2.548   4.956
   71    HE3  TRP   9           HE3      TRP   9 -10.924   2.396   3.540
   72    HZ2  TRP   9           HZ2      TRP   9 -11.152  -1.035   7.127
   73    HZ3  TRP   9           HZ3      TRP   9 -10.141   2.932   5.828
   74    HH2  TRP   9           HH2      TRP   9 -10.252   1.225   7.622
   75    H    ASP  10           HN       ASP  10 -11.059  -0.524  -1.134
   76    HA   ASP  10           HA       ASP  10  -9.368  -2.744  -0.504
   77   1HB   ASP  10          HB2       ASP  10 -11.186  -2.520  -2.276
   78   2HB   ASP  10          HB1       ASP  10 -10.016  -1.625  -3.248
   79    H    TRP  11           HN       TRP  11  -8.713   0.288  -2.294
   80    HA   TRP  11           HA       TRP  11  -6.021  -0.330  -3.075
   81   1HB   TRP  11          HB2       TRP  11  -7.511   1.501  -3.943
   82   2HB   TRP  11          HB1       TRP  11  -7.278   2.357  -2.419
   83    HD1  TRP  11           HD1      TRP  11  -5.251   1.044  -5.421
   84    HE1  TRP  11           HE1      TRP  11  -3.129   2.487  -5.657
   85    HE3  TRP  11           HE3      TRP  11  -5.719   3.985  -1.274
   86    HZ2  TRP  11           HZ2      TRP  11  -1.803   4.609  -4.270
   87    HZ3  TRP  11           HZ3      TRP  11  -4.015   5.707  -0.755
   88    HH2  TRP  11           HH2      TRP  11  -2.059   6.023  -2.246
   89    H    ILE  12           HN       ILE  12  -7.355   1.239  -0.151
   90    HA   ILE  12           HA       ILE  12  -4.881   1.974   1.081
   91    HB   ILE  12           HB       ILE  12  -7.631   1.207   2.111
   92   1HG1  ILE  12          HG12      ILE  12  -6.276   3.907   2.173
   93   2HG1  ILE  12          HG11      ILE  12  -7.134   3.350   0.737
   94   1HG2  ILE  12          HG21      ILE  12  -6.438   0.801   4.057
   95   2HG2  ILE  12          HG22      ILE  12  -6.662   2.546   4.199
   96   3HG2  ILE  12          HG23      ILE  12  -5.131   1.898   3.610
   97   1HD1  ILE  12          HD11      ILE  12  -8.634   4.678   2.161
   98   2HD1  ILE  12          HD12      ILE  12  -8.313   3.602   3.521
   99   3HD1  ILE  12          HD13      ILE  12  -9.171   2.998   2.103
  100    H    CYS  13           HN       CYS  13  -6.684  -1.085   1.000
  101    HA   CYS  13           HA       CYS  13  -5.054  -2.485   2.948
  102   1HB   CYS  13          HB2       CYS  13  -7.428  -2.975   2.053
  103   2HB   CYS  13          HB1       CYS  13  -6.623  -3.682   0.651
  104    HG   CYS  13           HG       CYS  13  -5.377  -5.312   2.403
  105    H    GLU  14           HN       GLU  14  -5.019  -2.252  -0.627
  106    HA   GLU  14           HA       GLU  14  -2.854  -4.105  -1.048
  107   1HB   GLU  14          HB2       GLU  14  -4.475  -2.153  -2.530
  108   2HB   GLU  14          HB1       GLU  14  -2.830  -2.292  -3.144
  109   1HG   GLU  14          HG2       GLU  14  -4.694  -4.636  -2.664
  110   2HG   GLU  14          HG1       GLU  14  -4.393  -3.901  -4.237
  111    H    VAL  15           HN       VAL  15  -3.004  -0.597  -0.548
  112    HA   VAL  15           HA       VAL  15  -0.202  -0.055  -0.994
  113    HB   VAL  15           HB       VAL  15  -2.443   1.330   0.513
  114   1HG1  VAL  15          HG11      VAL  15  -0.507   2.173   1.592
  115   2HG1  VAL  15          HG12      VAL  15  -0.844   3.353   0.325
  116   3HG1  VAL  15          HG13      VAL  15   0.434   2.158   0.099
  117   1HG2  VAL  15          HG21      VAL  15  -1.024   2.049  -2.070
  118   2HG2  VAL  15          HG22      VAL  15  -2.483   2.793  -1.417
  119   3HG2  VAL  15          HG23      VAL  15  -2.529   1.131  -2.003
  120    H    LEU  16           HN       LEU  16  -2.076  -1.110   1.826
  121    HA   LEU  16           HA       LEU  16  -0.135  -0.626   3.870
  122   1HB   LEU  16          HB2       LEU  16  -2.629  -1.312   3.969
  123   2HB   LEU  16          HB1       LEU  16  -2.053  -2.964   3.749
  124    HG   LEU  16           HG       LEU  16  -0.426  -2.360   5.726
  125   1HD1  LEU  16          HD11      LEU  16  -0.888  -0.026   5.960
  126   2HD1  LEU  16          HD12      LEU  16  -1.675  -0.806   7.332
  127   3HD1  LEU  16          HD13      LEU  16  -2.630  -0.297   5.939
  128   1HD2  LEU  16          HD21      LEU  16  -2.255  -3.040   7.345
  129   2HD2  LEU  16          HD22      LEU  16  -2.094  -4.089   5.937
  130   3HD2  LEU  16          HD23      LEU  16  -3.396  -2.901   6.007
  131    H    SER  17           HN       SER  17  -0.696  -3.488   1.785
  132    HA   SER  17           HA       SER  17   1.558  -4.976   2.921
  133   1HB   SER  17          HB2       SER  17   0.991  -6.464   0.908
  134   2HB   SER  17          HB1       SER  17  -0.312  -6.206   2.064
  135    HG   SER  17           HG       SER  17  -0.821  -5.907  -0.243
  136    H    ASP  18           HN       ASP  18   0.945  -3.073  -0.037
  137    HA   ASP  18           HA       ASP  18   3.483  -3.586  -1.303
  138   1HB   ASP  18          HB2       ASP  18   1.216  -2.564  -2.152
  139   2HB   ASP  18          HB1       ASP  18   1.906  -1.036  -1.604
  140    H    PHE  19           HN       PHE  19   2.488  -1.367   1.251
  141    HA   PHE  19           HA       PHE  19   4.494   0.617   1.132
  142   1HB   PHE  19          HB2       PHE  19   2.486  -0.273   2.881
  143   2HB   PHE  19          HB1       PHE  19   3.964  -0.344   3.834
  144    HD1  PHE  19           HD1      PHE  19   1.819   1.881   1.771
  145    HD2  PHE  19           HD2      PHE  19   5.108   1.643   4.524
  146    HE1  PHE  19           HE1      PHE  19   1.779   4.345   2.033
  147    HE2  PHE  19           HE2      PHE  19   5.066   4.108   4.786
  148    HZ   PHE  19           HZ       PHE  19   3.402   5.460   3.541
  149    H    LYS  20           HN       LYS  20   4.656  -2.701   2.399
  150    HA   LYS  20           HA       LYS  20   7.267  -2.492   3.609
  151   1HB   LYS  20          HB2       LYS  20   5.556  -4.251   4.054
  152   2HB   LYS  20          HB1       LYS  20   5.808  -4.882   2.427
  153   1HG   LYS  20          HG2       LYS  20   7.176  -6.241   3.811
  154   2HG   LYS  20          HG1       LYS  20   8.293  -5.091   3.077
  155   1HD   LYS  20          HD2       LYS  20   7.794  -3.640   5.197
  156   2HD   LYS  20          HD1       LYS  20   7.242  -5.162   5.895
  157   1HE   LYS  20          HE2       LYS  20   9.413  -6.200   5.491
  158   2HE   LYS  20          HE1       LYS  20   9.980  -4.752   4.637
  159   1HZ   LYS  20          HZ1       LYS  20   9.167  -4.951   7.489
  160   2HZ   LYS  20          HZ2       LYS  20   9.441  -3.475   6.692
  161   3HZ   LYS  20          HZ3       LYS  20  10.711  -4.588   6.888
  162    H    THR  21           HN       THR  21   6.178  -3.333   0.317
  163    HA   THR  21           HA       THR  21   8.947  -3.914  -0.551
  164    HB   THR  21           HB       THR  21   7.606  -4.160  -2.787
  165    HG1  THR  21           HG1      THR  21   5.693  -3.296  -2.457
  166   1HG2  THR  21          HG21      THR  21   6.745  -6.377  -2.043
  167   2HG2  THR  21          HG22      THR  21   7.062  -5.906  -0.373
  168   3HG2  THR  21          HG23      THR  21   8.400  -6.075  -1.511
  169    H    TRP  22           HN       TRP  22   6.426  -1.450  -1.151
  170    HA   TRP  22           HA       TRP  22   7.779   0.096  -3.114
  171   1HB   TRP  22          HB2       TRP  22   5.385   0.186  -1.995
  172   2HB   TRP  22          HB1       TRP  22   6.152   1.345  -0.915
  173    HD1  TRP  22           HD1      TRP  22   4.882   0.935  -4.442
  174    HE1  TRP  22           HE1      TRP  22   5.100   3.176  -5.698
  175    HE3  TRP  22           HE3      TRP  22   7.666   3.573  -1.068
  176    HZ2  TRP  22           HZ2      TRP  22   6.296   5.746  -5.321
  177    HZ3  TRP  22           HZ3      TRP  22   8.330   5.913  -1.544
  178    HH2  TRP  22           HH2      TRP  22   7.649   7.001  -3.664
  179    H    LEU  23           HN       LEU  23   7.811   0.428   0.451
  180    HA   LEU  23           HA       LEU  23   9.614   2.640   0.598
  181   1HB   LEU  23          HB2       LEU  23   8.573   0.491   2.370
  182   2HB   LEU  23          HB1       LEU  23  10.063   1.260   2.903
  183    HG   LEU  23           HG       LEU  23   8.033   2.397   3.799
  184   1HD1  LEU  23          HD11      LEU  23  10.233   3.583   3.235
  185   2HD1  LEU  23          HD12      LEU  23   8.807   4.609   3.392
  186   3HD1  LEU  23          HD13      LEU  23   9.417   4.184   1.793
  187   1HD2  LEU  23          HD21      LEU  23   6.636   1.918   1.733
  188   2HD2  LEU  23          HD22      LEU  23   7.520   3.212   0.924
  189   3HD2  LEU  23          HD23      LEU  23   6.524   3.572   2.334
  190    H    LYS  24           HN       LYS  24  10.258  -0.894   0.588
  191    HA   LYS  24           HA       LYS  24  13.139  -0.589   0.893
  192   1HB   LYS  24          HB2       LYS  24  11.550  -2.587   1.396
  193   2HB   LYS  24          HB1       LYS  24  11.700  -2.949  -0.325
  194   1HG   LYS  24          HG2       LYS  24  14.106  -3.153  -0.138
  195   2HG   LYS  24          HG1       LYS  24  14.069  -2.590   1.534
  196   1HD   LYS  24          HD2       LYS  24  12.552  -4.592   2.025
  197   2HD   LYS  24          HD1       LYS  24  13.001  -5.195   0.429
  198   1HE   LYS  24          HE2       LYS  24  15.391  -5.145   1.068
  199   2HE   LYS  24          HE1       LYS  24  14.944  -4.542   2.677
  200   1HZ   LYS  24          HZ1       LYS  24  15.115  -6.917   2.788
  201   2HZ   LYS  24          HZ2       LYS  24  14.102  -7.111   1.438
  202   3HZ   LYS  24          HZ3       LYS  24  13.474  -6.508   2.898
  203    H    ALA  25           HN       ALA  25  10.913  -0.878  -1.856
  204    HA   ALA  25           HA       ALA  25  12.788  -1.358  -3.946
  205   1HB   ALA  25          HB1       ALA  25  10.904  -0.072  -5.251
  206   2HB   ALA  25          HB2       ALA  25  10.077  -0.071  -3.693
  207   3HB   ALA  25          HB3       ALA  25  10.510  -1.599  -4.461
  208    H    LYS  26           HN       LYS  26  12.058   1.583  -2.153
  209    HA   LYS  26           HA       LYS  26  13.634   3.224  -4.086
  210   1HB   LYS  26          HB2       LYS  26  11.268   3.604  -2.629
  211   2HB   LYS  26          HB1       LYS  26  12.465   4.592  -1.791
  212   1HG   LYS  26          HG2       LYS  26  12.576   4.761  -4.739
  213   2HG   LYS  26          HG1       LYS  26  11.100   5.402  -4.019
  214   1HD   LYS  26          HD2       LYS  26  12.177   7.197  -3.155
  215   2HD   LYS  26          HD1       LYS  26  13.504   6.205  -2.551
  216   1HE   LYS  26          HE2       LYS  26  14.506   7.625  -4.195
  217   2HE   LYS  26          HE1       LYS  26  14.278   6.077  -5.030
  218   1HZ   LYS  26          HZ1       LYS  26  13.408   8.046  -6.270
  219   2HZ   LYS  26          HZ2       LYS  26  12.259   8.261  -5.036
  220   3HZ   LYS  26          HZ3       LYS  26  12.248   6.843  -5.975
  221    H    LEU  27           HN       LEU  27  13.708   1.943  -0.789
  222    HA   LEU  27           HA       LEU  27  15.856   3.648   0.172
  223   1HB   LEU  27          HB2       LEU  27  14.085   1.620   1.129
  224   2HB   LEU  27          HB1       LEU  27  15.728   1.113   1.515
  225    HG   LEU  27           HG       LEU  27  15.801   3.788   2.154
  226   1HD1  LEU  27          HD11      LEU  27  13.774   4.233   3.483
  227   2HD1  LEU  27          HD12      LEU  27  13.085   2.697   2.957
  228   3HD1  LEU  27          HD13      LEU  27  13.364   3.986   1.786
  229   1HD2  LEU  27          HD21      LEU  27  16.544   1.701   3.445
  230   2HD2  LEU  27          HD22      LEU  27  14.903   1.639   4.090
  231   3HD2  LEU  27          HD23      LEU  27  15.928   3.036   4.420
  232    H    MET  28           HN       MET  28  15.713   0.402  -1.305
  233    HA   MET  28           HA       MET  28  18.403  -0.404  -0.925
  234   1HB   MET  28          HB2       MET  28  16.187  -0.968  -2.850
  235   2HB   MET  28          HB1       MET  28  17.795  -1.566  -3.262
  236   1HG   MET  28          HG2       MET  28  17.938  -2.859  -1.266
  237   2HG   MET  28          HG1       MET  28  16.558  -2.031  -0.544
  238   1HE   MET  28          HE1       MET  28  17.126  -4.089  -4.161
  239   2HE   MET  28          HE2       MET  28  16.821  -5.563  -3.247
  240   3HE   MET  28          HE3       MET  28  18.063  -4.439  -2.702
  241    HA   PRO  29           HA       PRO  29  19.565   1.691  -5.080
  242   1HB   PRO  29          HB2       PRO  29  17.765   3.401  -6.234
  243   2HB   PRO  29          HB1       PRO  29  17.817   1.664  -6.590
  244   1HG   PRO  29          HG2       PRO  29  15.985   3.178  -4.803
  245   2HG   PRO  29          HG1       PRO  29  15.643   1.810  -5.873
  246   1HD   PRO  29          HD2       PRO  29  15.945   1.576  -3.172
  247   2HD   PRO  29          HD1       PRO  29  16.288   0.266  -4.319
  248    H    GLN  30           HN       GLN  30  19.640   4.276  -5.858
  249    HA   GLN  30           HA       GLN  30  20.351   5.722  -3.372
  250   1HB   GLN  30          HB2       GLN  30  21.523   7.202  -4.926
  251   2HB   GLN  30          HB1       GLN  30  21.866   5.529  -5.360
  252   1HG   GLN  30          HG2       GLN  30  20.542   5.611  -7.277
  253   2HG   GLN  30          HG1       GLN  30  19.540   6.921  -6.654
  254   1HE2  GLN  30          HE21      GLN  30  20.310   9.117  -6.920
  255   2HE2  GLN  30          HE22      GLN  30  21.672   9.482  -7.865
  256    H    LEU  31           HN       LEU  31  19.955   8.340  -3.967
  257    HA   LEU  31           HA       LEU  31  17.019   8.621  -3.809
  258   1HB   LEU  31          HB2       LEU  31  19.456  10.327  -3.356
  259   2HB   LEU  31          HB1       LEU  31  17.879  11.100  -3.515
  260    HG   LEU  31           HG       LEU  31  17.177   9.202  -1.777
  261   1HD1  LEU  31          HD11      LEU  31  19.224   8.035  -1.532
  262   2HD1  LEU  31          HD12      LEU  31  19.147   9.070  -0.106
  263   3HD1  LEU  31          HD13      LEU  31  20.164   9.526  -1.473
  264   1HD2  LEU  31          HD21      LEU  31  16.981  11.639  -1.431
  265   2HD2  LEU  31          HD22      LEU  31  18.695  11.721  -1.026
  266   3HD2  LEU  31          HD23      LEU  31  17.582  10.846   0.024
  Start of MODEL   13
    1   1H    SER   1           HT1      SER   1 -25.291  -0.995   4.247
    2   2H    SER   1           HT2      SER   1 -25.747   0.085   5.477
    3   3H    SER   1           HT3      SER   1 -24.188   0.167   4.805
    4    HA   SER   1           HA       SER   1 -26.697   0.699   3.289
    5   1HB   SER   1          HB2       SER   1 -24.630   2.573   4.489
    6   2HB   SER   1          HB1       SER   1 -26.065   3.055   3.588
    7    HG   SER   1           HG       SER   1 -26.983   3.026   5.482
    8    H    GLY   2           HN       GLY   2 -26.038   2.045   1.296
    9   1HA   GLY   2          HA2       GLY   2 -23.885   0.649  -0.113
   10   2HA   GLY   2          HA1       GLY   2 -24.941   1.888  -0.797
   11    H    SER   3           HN       SER   3 -22.036   1.361   1.141
   12    HA   SER   3           HA       SER   3 -21.369   4.269   0.953
   13   1HB   SER   3          HB2       SER   3 -21.204   2.316   2.965
   14   2HB   SER   3          HB1       SER   3 -19.539   2.562   2.447
   15    HG   SER   3           HG       SER   3 -20.744   4.043   4.101
   16    H    TRP   4           HN       TRP   4 -19.829   4.914  -0.498
   17    HA   TRP   4           HA       TRP   4 -18.491   2.979  -2.233
   18   1HB   TRP   4          HB2       TRP   4 -19.389   5.472  -2.564
   19   2HB   TRP   4          HB1       TRP   4 -17.741   5.874  -2.086
   20    HD1  TRP   4           HD1      TRP   4 -19.591   3.671  -4.664
   21    HE1  TRP   4           HE1      TRP   4 -18.120   3.490  -6.772
   22    HE3  TRP   4           HE3      TRP   4 -15.464   6.226  -3.083
   23    HZ2  TRP   4           HZ2      TRP   4 -15.535   4.318  -7.668
   24    HZ3  TRP   4           HZ3      TRP   4 -13.512   6.514  -4.582
   25    HH2  TRP   4           HH2      TRP   4 -13.543   5.565  -6.872
   26    H    LEU   5           HN       LEU   5 -17.747   4.302   0.842
   27    HA   LEU   5           HA       LEU   5 -14.931   4.668   0.748
   28   1HB   LEU   5          HB2       LEU   5 -17.070   4.316   2.699
   29   2HB   LEU   5          HB1       LEU   5 -15.579   3.556   3.246
   30    HG   LEU   5           HG       LEU   5 -15.673   5.903   3.981
   31   1HD1  LEU   5          HD11      LEU   5 -13.641   6.005   1.801
   32   2HD1  LEU   5          HD12      LEU   5 -13.529   4.666   2.943
   33   3HD1  LEU   5          HD13      LEU   5 -13.459   6.330   3.525
   34   1HD2  LEU   5          HD21      LEU   5 -15.737   7.727   2.387
   35   2HD2  LEU   5          HD22      LEU   5 -17.105   6.667   2.049
   36   3HD2  LEU   5          HD23      LEU   5 -15.668   6.604   1.029
   37    H    ARG   6           HN       ARG   6 -16.859   1.701   0.878
   38    HA   ARG   6           HA       ARG   6 -14.895  -0.159   1.745
   39   1HB   ARG   6          HB2       ARG   6 -17.506  -0.212   0.924
   40   2HB   ARG   6          HB1       ARG   6 -16.712  -0.989  -0.446
   41   1HG   ARG   6          HG2       ARG   6 -16.322  -2.871   0.735
   42   2HG   ARG   6          HG1       ARG   6 -15.659  -1.961   2.092
   43   1HD   ARG   6          HD2       ARG   6 -18.134  -1.363   2.635
   44   2HD   ARG   6          HD1       ARG   6 -18.533  -2.729   1.572
   45    HE   ARG   6           HE       ARG   6 -16.868  -2.936   4.049
   46   1HH1  ARG   6          HH11      ARG   6 -19.675  -4.138   3.610
   47   2HH1  ARG   6          HH12      ARG   6 -19.270  -5.800   3.335
   48   1HH2  ARG   6          HH21      ARG   6 -15.899  -5.158   2.772
   49   2HH2  ARG   6          HH22      ARG   6 -17.124  -6.379   2.859
   50    H    ASP   7           HN       ASP   7 -15.627   0.998  -1.574
   51    HA   ASP   7           HA       ASP   7 -13.622  -0.574  -2.912
   52   1HB   ASP   7          HB2       ASP   7 -15.445   0.430  -4.129
   53   2HB   ASP   7          HB1       ASP   7 -15.042   2.036  -3.524
   54    H    ILE   8           HN       ILE   8 -13.597   2.765  -1.616
   55    HA   ILE   8           HA       ILE   8 -10.949   3.493  -2.404
   56    HB   ILE   8           HB       ILE   8 -12.689   4.244  -0.025
   57   1HG1  ILE   8          HG12      ILE   8 -12.126   6.056  -2.333
   58   2HG1  ILE   8          HG11      ILE   8 -13.219   4.702  -2.618
   59   1HG2  ILE   8          HG21      ILE   8 -10.158   5.543  -1.082
   60   2HG2  ILE   8          HG22      ILE   8 -10.371   4.794   0.501
   61   3HG2  ILE   8          HG23      ILE   8 -11.238   6.277   0.104
   62   1HD1  ILE   8          HD11      ILE   8 -13.587   6.452  -0.198
   63   2HD1  ILE   8          HD12      ILE   8 -14.777   5.458  -1.039
   64   3HD1  ILE   8          HD13      ILE   8 -14.214   6.963  -1.765
   65    H    TRP   9           HN       TRP   9 -12.170   1.884   0.544
   66    HA   TRP   9           HA       TRP   9  -9.656   1.641   1.912
   67   1HB   TRP   9          HB2       TRP   9 -11.987   1.376   2.841
   68   2HB   TRP   9          HB1       TRP   9 -12.096  -0.168   1.995
   69    HD1  TRP   9           HD1      TRP   9 -11.755  -2.038   3.676
   70    HE1  TRP   9           HE1      TRP   9 -10.133  -2.501   5.624
   71    HE3  TRP   9           HE3      TRP   9  -9.144   2.353   3.717
   72    HZ2  TRP   9           HZ2      TRP   9  -8.008  -1.185   7.017
   73    HZ3  TRP   9           HZ3      TRP   9  -7.329   2.720   5.363
   74    HH2  TRP   9           HH2      TRP   9  -6.759   0.960   7.011
   75    H    ASP  10           HN       ASP  10 -11.308  -0.389  -0.492
   76    HA   ASP  10           HA       ASP  10  -9.629  -2.702  -0.356
   77   1HB   ASP  10          HB2       ASP  10 -11.862  -2.396  -1.508
   78   2HB   ASP  10          HB1       ASP  10 -11.022  -1.489  -2.767
   79    H    TRP  11           HN       TRP  11  -9.412   0.252  -2.372
   80    HA   TRP  11           HA       TRP  11  -7.009  -0.517  -3.777
   81   1HB   TRP  11          HB2       TRP  11  -8.559   1.191  -4.589
   82   2HB   TRP  11          HB1       TRP  11  -8.294   2.163  -3.142
   83    HD1  TRP  11           HD1      TRP  11  -6.517   0.990  -6.327
   84    HE1  TRP  11           HE1      TRP  11  -4.519   2.558  -6.776
   85    HE3  TRP  11           HE3      TRP  11  -6.641   3.816  -2.078
   86    HZ2  TRP  11           HZ2      TRP  11  -3.154   4.726  -5.500
   87    HZ3  TRP  11           HZ3      TRP  11  -4.983   5.622  -1.718
   88    HH2  TRP  11           HH2      TRP  11  -3.241   6.080  -3.422
   89    H    ILE  12           HN       ILE  12  -7.618   1.360  -0.794
   90    HA   ILE  12           HA       ILE  12  -4.952   2.229  -0.274
   91    HB   ILE  12           HB       ILE  12  -7.365   1.545   1.423
   92   1HG1  ILE  12          HG12      ILE  12  -5.992   4.207   1.004
   93   2HG1  ILE  12          HG11      ILE  12  -7.203   3.598  -0.125
   94   1HG2  ILE  12          HG21      ILE  12  -6.095   2.789   3.270
   95   2HG2  ILE  12          HG22      ILE  12  -4.637   2.500   2.322
   96   3HG2  ILE  12          HG23      ILE  12  -5.571   1.139   2.944
   97   1HD1  ILE  12          HD11      ILE  12  -8.284   5.040   1.528
   98   2HD1  ILE  12          HD12      ILE  12  -7.603   4.082   2.844
   99   3HD1  ILE  12          HD13      ILE  12  -8.808   3.373   1.767
  100    H    CYS  13           HN       CYS  13  -6.598  -0.851   0.397
  101    HA   CYS  13           HA       CYS  13  -4.469  -2.039   1.961
  102   1HB   CYS  13          HB2       CYS  13  -6.925  -2.686   1.844
  103   2HB   CYS  13          HB1       CYS  13  -6.595  -3.383   0.258
  104    HG   CYS  13           HG       CYS  13  -5.230  -4.418   2.882
  105    H    GLU  14           HN       GLU  14  -5.256  -1.927  -1.509
  106    HA   GLU  14           HA       GLU  14  -3.376  -3.876  -2.435
  107   1HB   GLU  14          HB2       GLU  14  -5.134  -1.790  -3.455
  108   2HB   GLU  14          HB1       GLU  14  -3.628  -1.851  -4.367
  109   1HG   GLU  14          HG2       GLU  14  -4.030  -3.979  -5.162
  110   2HG   GLU  14          HG1       GLU  14  -4.957  -4.449  -3.737
  111    H    VAL  15           HN       VAL  15  -3.110  -0.372  -1.912
  112    HA   VAL  15           HA       VAL  15  -0.360  -0.133  -2.802
  113    HB   VAL  15           HB       VAL  15  -2.087   1.574  -0.968
  114   1HG1  VAL  15          HG11      VAL  15   0.641   1.924  -2.138
  115   2HG1  VAL  15          HG12      VAL  15  -0.003   2.494  -0.598
  116   3HG1  VAL  15          HG13      VAL  15  -0.417   3.336  -2.091
  117   1HG2  VAL  15          HG21      VAL  15  -3.249   1.791  -2.926
  118   2HG2  VAL  15          HG22      VAL  15  -1.903   1.207  -3.905
  119   3HG2  VAL  15          HG23      VAL  15  -1.933   2.883  -3.356
  120    H    LEU  16           HN       LEU  16  -1.905  -0.954   0.266
  121    HA   LEU  16           HA       LEU  16   0.254  -0.504   2.068
  122   1HB   LEU  16          HB2       LEU  16  -2.176  -1.072   2.541
  123   2HB   LEU  16          HB1       LEU  16  -1.792  -2.744   2.134
  124    HG   LEU  16           HG       LEU  16   0.128  -1.615   4.022
  125   1HD1  LEU  16          HD11      LEU  16  -1.944  -0.340   4.670
  126   2HD1  LEU  16          HD12      LEU  16  -1.347  -1.417   5.932
  127   3HD1  LEU  16          HD13      LEU  16  -2.742  -1.886   4.960
  128   1HD2  LEU  16          HD21      LEU  16  -0.170  -3.720   5.087
  129   2HD2  LEU  16          HD22      LEU  16  -0.378  -4.057   3.369
  130   3HD2  LEU  16          HD23      LEU  16  -1.789  -3.919   4.418
  131    H    SER  17           HN       SER  17  -0.489  -3.289  -0.043
  132    HA   SER  17           HA       SER  17   1.523  -5.075   0.956
  133   1HB   SER  17          HB2       SER  17  -0.360  -4.867  -1.230
  134   2HB   SER  17          HB1       SER  17   1.182  -5.462  -1.836
  135    HG   SER  17           HG       SER  17   1.106  -7.111  -0.330
  136    H    ASP  18           HN       ASP  18   1.585  -2.705  -1.734
  137    HA   ASP  18           HA       ASP  18   4.377  -3.147  -2.385
  138   1HB   ASP  18          HB2       ASP  18   2.761  -2.214  -3.977
  139   2HB   ASP  18          HB1       ASP  18   2.463  -0.844  -2.907
  140    H    PHE  19           HN       PHE  19   2.630  -0.974  -0.184
  141    HA   PHE  19           HA       PHE  19   4.574   0.943   0.466
  142   1HB   PHE  19          HB2       PHE  19   2.119   0.197   1.376
  143   2HB   PHE  19          HB1       PHE  19   3.124  -0.342   2.720
  144    HD1  PHE  19           HD1      PHE  19   1.849   2.551   0.872
  145    HD2  PHE  19           HD2      PHE  19   4.539   1.263   3.964
  146    HE1  PHE  19           HE1      PHE  19   2.046   4.889   1.676
  147    HE2  PHE  19           HE2      PHE  19   4.734   3.599   4.768
  148    HZ   PHE  19           HZ       PHE  19   3.489   5.413   3.625
  149    H    LYS  20           HN       LYS  20   4.283  -2.402   1.648
  150    HA   LYS  20           HA       LYS  20   6.492  -2.301   3.509
  151   1HB   LYS  20          HB2       LYS  20   4.563  -3.957   3.353
  152   2HB   LYS  20          HB1       LYS  20   5.396  -4.678   1.976
  153   1HG   LYS  20          HG2       LYS  20   7.431  -4.918   3.494
  154   2HG   LYS  20          HG1       LYS  20   6.367  -4.499   4.836
  155   1HD   LYS  20          HD2       LYS  20   5.250  -6.568   3.074
  156   2HD   LYS  20          HD1       LYS  20   6.755  -7.053   3.856
  157   1HE   LYS  20          HE2       LYS  20   5.070  -7.677   5.418
  158   2HE   LYS  20          HE1       LYS  20   5.665  -6.125   6.039
  159   1HZ   LYS  20          HZ1       LYS  20   3.402  -6.354   4.128
  160   2HZ   LYS  20          HZ2       LYS  20   3.897  -4.973   4.986
  161   3HZ   LYS  20          HZ3       LYS  20   3.188  -6.278   5.807
  162    H    THR  21           HN       THR  21   6.227  -3.430   0.116
  163    HA   THR  21           HA       THR  21   9.026  -4.167  -0.119
  164    HB   THR  21           HB       THR  21   7.120  -3.447  -2.360
  165    HG1  THR  21           HG1      THR  21   5.860  -4.964  -1.685
  166   1HG2  THR  21          HG21      THR  21   9.385  -5.422  -2.021
  167   2HG2  THR  21          HG22      THR  21   9.313  -4.046  -3.121
  168   3HG2  THR  21          HG23      THR  21   8.280  -5.449  -3.395
  169    H    TRP  22           HN       TRP  22   7.137  -1.308  -1.167
  170    HA   TRP  22           HA       TRP  22   9.263   0.080  -2.482
  171   1HB   TRP  22          HB2       TRP  22   6.605   0.448  -2.085
  172   2HB   TRP  22          HB1       TRP  22   7.239   1.618  -0.931
  173    HD1  TRP  22           HD1      TRP  22   6.689   1.070  -4.587
  174    HE1  TRP  22           HE1      TRP  22   7.615   3.071  -5.925
  175    HE3  TRP  22           HE3      TRP  22   9.284   3.471  -0.901
  176    HZ2  TRP  22           HZ2      TRP  22   9.240   5.385  -5.487
  177    HZ3  TRP  22           HZ3      TRP  22  10.511   5.568  -1.389
  178    HH2  TRP  22           HH2      TRP  22  10.491   6.527  -3.674
  179    H    LEU  23           HN       LEU  23   8.186   0.096   0.915
  180    HA   LEU  23           HA       LEU  23  10.011   2.118   1.846
  181   1HB   LEU  23          HB2       LEU  23   8.181   0.065   2.950
  182   2HB   LEU  23          HB1       LEU  23   9.488   0.547   4.024
  183    HG   LEU  23           HG       LEU  23   7.345   1.915   4.215
  184   1HD1  LEU  23          HD11      LEU  23   9.394   2.784   5.136
  185   2HD1  LEU  23          HD12      LEU  23   8.616   4.100   4.256
  186   3HD1  LEU  23          HD13      LEU  23   9.981   3.244   3.538
  187   1HD2  LEU  23          HD21      LEU  23   8.311   3.290   1.708
  188   2HD2  LEU  23          HD22      LEU  23   6.749   3.440   2.515
  189   3HD2  LEU  23          HD23      LEU  23   7.141   1.973   1.620
  190    H    LYS  24           HN       LYS  24  10.312  -1.456   1.613
  191    HA   LYS  24           HA       LYS  24  12.831  -1.561   3.048
  192   1HB   LYS  24          HB2       LYS  24  12.671  -3.841   2.633
  193   2HB   LYS  24          HB1       LYS  24  10.991  -3.369   2.412
  194   1HG   LYS  24          HG2       LYS  24  11.256  -4.529   0.450
  195   2HG   LYS  24          HG1       LYS  24  11.876  -2.976  -0.106
  196   1HD   LYS  24          HD2       LYS  24  13.740  -4.136  -0.675
  197   2HD   LYS  24          HD1       LYS  24  14.111  -4.098   1.048
  198   1HE   LYS  24          HE2       LYS  24  12.982  -6.268   1.362
  199   2HE   LYS  24          HE1       LYS  24  12.563  -6.306  -0.362
  200   1HZ   LYS  24          HZ1       LYS  24  14.612  -7.511  -0.004
  201   2HZ   LYS  24          HZ2       LYS  24  15.308  -6.174   0.781
  202   3HZ   LYS  24          HZ3       LYS  24  14.942  -6.095  -0.878
  203    H    ALA  25           HN       ALA  25  11.976  -0.861  -0.284
  204    HA   ALA  25           HA       ALA  25  14.671  -1.311  -1.354
  205   1HB   ALA  25          HB1       ALA  25  13.645  -0.430  -3.397
  206   2HB   ALA  25          HB2       ALA  25  12.271   0.177  -2.473
  207   3HB   ALA  25          HB3       ALA  25  12.530  -1.560  -2.629
  208    H    LYS  26           HN       LYS  26  12.786   1.438  -0.140
  209    HA   LYS  26           HA       LYS  26  14.795   3.419  -0.978
  210   1HB   LYS  26          HB2       LYS  26  13.210   4.988  -0.038
  211   2HB   LYS  26          HB1       LYS  26  12.292   3.756  -0.899
  212   1HG   LYS  26          HG2       LYS  26  11.463   2.815   1.044
  213   2HG   LYS  26          HG1       LYS  26  12.847   3.319   2.010
  214   1HD   LYS  26          HD2       LYS  26  11.163   5.484   0.849
  215   2HD   LYS  26          HD1       LYS  26  10.458   4.549   2.169
  216   1HE   LYS  26          HE2       LYS  26  13.198   5.186   2.827
  217   2HE   LYS  26          HE1       LYS  26  12.328   6.671   2.396
  218   1HZ   LYS  26          HZ1       LYS  26  10.477   5.860   3.830
  219   2HZ   LYS  26          HZ2       LYS  26  11.897   6.227   4.687
  220   3HZ   LYS  26          HZ3       LYS  26  11.490   4.609   4.365
  221    H    LEU  27           HN       LEU  27  14.516   1.269   1.666
  222    HA   LEU  27           HA       LEU  27  15.740   3.046   3.672
  223   1HB   LEU  27          HB2       LEU  27  14.230   0.650   3.599
  224   2HB   LEU  27          HB1       LEU  27  15.793   0.219   4.292
  225    HG   LEU  27           HG       LEU  27  15.410   2.453   5.682
  226   1HD1  LEU  27          HD11      LEU  27  13.064   2.836   6.192
  227   2HD1  LEU  27          HD12      LEU  27  12.580   1.501   5.147
  228   3HD1  LEU  27          HD13      LEU  27  13.284   2.958   4.447
  229   1HD2  LEU  27          HD21      LEU  27  15.683   0.215   6.658
  230   2HD2  LEU  27          HD22      LEU  27  14.013  -0.183   6.254
  231   3HD2  LEU  27          HD23      LEU  27  14.358   1.060   7.456
  232    H    MET  28           HN       MET  28  16.735   0.086   1.892
  233    HA   MET  28           HA       MET  28  19.527   0.401   2.808
  234   1HB   MET  28          HB2       MET  28  18.042  -1.578   1.053
  235   2HB   MET  28          HB1       MET  28  19.762  -1.714   1.416
  236   1HG   MET  28          HG2       MET  28  19.364  -2.042   3.732
  237   2HG   MET  28          HG1       MET  28  17.702  -1.466   3.610
  238   1HE   MET  28          HE1       MET  28  16.361  -2.810   4.391
  239   2HE   MET  28          HE2       MET  28  17.190  -4.226   5.033
  240   3HE   MET  28          HE3       MET  28  15.889  -4.432   3.864
  241    HA   PRO  29           HA       PRO  29  20.285   2.829  -0.907
  242   1HB   PRO  29          HB2       PRO  29  22.813   3.608  -0.210
  243   2HB   PRO  29          HB1       PRO  29  21.352   4.376   0.438
  244   1HG   PRO  29          HG2       PRO  29  23.168   2.397   1.698
  245   2HG   PRO  29          HG1       PRO  29  22.287   3.747   2.426
  246   1HD   PRO  29          HD2       PRO  29  21.517   1.108   2.589
  247   2HD   PRO  29          HD1       PRO  29  20.426   2.494   2.791
  248    H    GLN  30           HN       GLN  30  22.679   2.929  -2.177
  249    HA   GLN  30           HA       GLN  30  23.524   0.073  -2.556
  250   1HB   GLN  30          HB2       GLN  30  23.552   0.562  -4.982
  251   2HB   GLN  30          HB1       GLN  30  21.951   0.847  -4.303
  252   1HG   GLN  30          HG2       GLN  30  23.235   3.302  -3.995
  253   2HG   GLN  30          HG1       GLN  30  23.795   2.735  -5.567
  254   1HE2  GLN  30          HE21      GLN  30  20.738   3.134  -3.689
  255   2HE2  GLN  30          HE22      GLN  30  19.776   3.453  -5.049
  256    H    LEU  31           HN       LEU  31  25.018   1.616  -0.866
  257    HA   LEU  31           HA       LEU  31  27.202   2.412  -0.487
  258   1HB   LEU  31          HB2       LEU  31  27.248   0.318  -2.310
  259   2HB   LEU  31          HB1       LEU  31  28.202   1.556  -3.122
  260    HG   LEU  31           HG       LEU  31  29.677   0.187  -1.747
  261   1HD1  LEU  31          HD11      LEU  31  29.241   2.803  -0.289
  262   2HD1  LEU  31          HD12      LEU  31  30.008   2.702  -1.874
  263   3HD1  LEU  31          HD13      LEU  31  30.753   1.916  -0.482
  264   1HD2  LEU  31          HD21      LEU  31  27.837  -0.519  -0.156
  265   2HD2  LEU  31          HD22      LEU  31  28.013   1.046   0.638
  266   3HD2  LEU  31          HD23      LEU  31  29.358  -0.095   0.627
  Start of MODEL   14
    1   1H    SER   1           HT1      SER   1 -16.358  -2.837  -4.179
    2   2H    SER   1           HT2      SER   1 -17.615  -2.594  -3.062
    3   3H    SER   1           HT3      SER   1 -16.752  -1.266  -3.679
    4    HA   SER   1           HA       SER   1 -17.667  -1.559  -5.854
    5   1HB   SER   1          HB2       SER   1 -18.910  -4.049  -4.636
    6   2HB   SER   1          HB1       SER   1 -19.077  -3.523  -6.308
    7    HG   SER   1           HG       SER   1 -17.406  -4.883  -6.410
    8    H    GLY   2           HN       GLY   2 -19.893  -2.872  -3.349
    9   1HA   GLY   2          HA2       GLY   2 -21.698  -0.561  -3.872
   10   2HA   GLY   2          HA1       GLY   2 -22.178  -2.075  -3.104
   11    H    SER   3           HN       SER   3 -19.720   0.474  -2.525
   12    HA   SER   3           HA       SER   3 -20.806   1.060   0.133
   13   1HB   SER   3          HB2       SER   3 -19.623  -1.124   0.412
   14   2HB   SER   3          HB1       SER   3 -18.141  -0.367  -0.164
   15    HG   SER   3           HG       SER   3 -19.131  -0.390   2.293
   16    H    TRP   4           HN       TRP   4 -19.257   2.630   1.298
   17    HA   TRP   4           HA       TRP   4 -18.014   4.446  -0.728
   18   1HB   TRP   4          HB2       TRP   4 -19.884   4.860   1.245
   19   2HB   TRP   4          HB1       TRP   4 -18.399   5.342   2.065
   20    HD1  TRP   4           HD1      TRP   4 -20.885   6.503  -0.447
   21    HE1  TRP   4           HE1      TRP   4 -20.139   8.751  -1.464
   22    HE3  TRP   4           HE3      TRP   4 -16.095   6.714   1.306
   23    HZ2  TRP   4           HZ2      TRP   4 -17.813  10.419  -1.524
   24    HZ3  TRP   4           HZ3      TRP   4 -14.638   8.640   0.756
   25    HH2  TRP   4           HH2      TRP   4 -15.490  10.491  -0.657
   26    H    LEU   5           HN       LEU   5 -17.432   3.201   2.592
   27    HA   LEU   5           HA       LEU   5 -14.594   3.987   2.482
   28   1HB   LEU   5          HB2       LEU   5 -16.575   2.952   4.443
   29   2HB   LEU   5          HB1       LEU   5 -14.898   2.493   4.738
   30    HG   LEU   5           HG       LEU   5 -14.561   5.120   4.161
   31   1HD1  LEU   5          HD11      LEU   5 -16.933   5.590   3.903
   32   2HD1  LEU   5          HD12      LEU   5 -16.368   6.351   5.391
   33   3HD1  LEU   5          HD13      LEU   5 -17.288   4.847   5.463
   34   1HD2  LEU   5          HD21      LEU   5 -15.334   3.969   6.863
   35   2HD2  LEU   5          HD22      LEU   5 -14.438   5.466   6.605
   36   3HD2  LEU   5          HD23      LEU   5 -13.720   3.920   6.151
   37    H    ARG   6           HN       ARG   6 -16.457   0.924   2.645
   38    HA   ARG   6           HA       ARG   6 -14.284  -0.901   2.592
   39   1HB   ARG   6          HB2       ARG   6 -16.814  -1.252   2.931
   40   2HB   ARG   6          HB1       ARG   6 -16.932  -1.270   1.173
   41   1HG   ARG   6          HG2       ARG   6 -16.667  -3.541   1.656
   42   2HG   ARG   6          HG1       ARG   6 -15.008  -3.045   1.324
   43   1HD   ARG   6          HD2       ARG   6 -14.573  -2.791   3.734
   44   2HD   ARG   6          HD1       ARG   6 -16.253  -3.236   4.093
   45    HE   ARG   6           HE       ARG   6 -14.885  -5.192   2.401
   46   1HH1  ARG   6          HH11      ARG   6 -13.125  -5.106   4.763
   47   2HH1  ARG   6          HH12      ARG   6 -13.888  -6.205   5.863
   48   1HH2  ARG   6          HH21      ARG   6 -16.930  -6.185   4.178
   49   2HH2  ARG   6          HH22      ARG   6 -16.053  -6.817   5.531
   50    H    ASP   7           HN       ASP   7 -15.975   0.717  -0.113
   51    HA   ASP   7           HA       ASP   7 -14.680  -0.668  -2.261
   52   1HB   ASP   7          HB2       ASP   7 -16.726   0.816  -2.331
   53   2HB   ASP   7          HB1       ASP   7 -15.654   2.208  -2.159
   54    H    ILE   8           HN       ILE   8 -13.869   2.445  -0.661
   55    HA   ILE   8           HA       ILE   8 -11.440   2.869  -2.189
   56    HB   ILE   8           HB       ILE   8 -12.570   3.977   0.400
   57   1HG1  ILE   8          HG12      ILE   8 -12.189   5.320  -2.289
   58   2HG1  ILE   8          HG11      ILE   8 -13.659   4.438  -1.876
   59   1HG2  ILE   8          HG21      ILE   8 -10.814   5.841  -0.124
   60   2HG2  ILE   8          HG22      ILE   8  -9.987   4.576  -1.035
   61   3HG2  ILE   8          HG23      ILE   8 -10.270   4.375   0.694
   62   1HD1  ILE   8          HD11      ILE   8 -12.520   6.810  -0.367
   63   2HD1  ILE   8          HD12      ILE   8 -13.951   5.899   0.114
   64   3HD1  ILE   8          HD13      ILE   8 -13.957   6.821  -1.389
   65    H    TRP   9           HN       TRP   9 -12.193   1.206   0.852
   66    HA   TRP   9           HA       TRP   9  -9.589   0.971   1.964
   67   1HB   TRP   9          HB2       TRP   9 -12.207  -0.399   2.114
   68   2HB   TRP   9          HB1       TRP   9 -10.834  -1.400   2.584
   69    HD1  TRP   9           HD1      TRP   9 -13.226   0.655   4.183
   70    HE1  TRP   9           HE1      TRP   9 -12.330   1.759   6.333
   71    HE3  TRP   9           HE3      TRP   9  -8.210  -0.010   3.492
   72    HZ2  TRP   9           HZ2      TRP   9  -9.817   2.289   7.594
   73    HZ3  TRP   9           HZ3      TRP   9  -6.590   0.803   5.181
   74    HH2  TRP   9           HH2      TRP   9  -7.386   1.951   7.229
   75    H    ASP  10           HN       ASP  10 -11.184  -0.920  -0.601
   76    HA   ASP  10           HA       ASP  10  -9.250  -3.016  -0.848
   77   1HB   ASP  10          HB2       ASP  10 -11.541  -2.903  -1.867
   78   2HB   ASP  10          HB1       ASP  10 -10.949  -1.669  -2.980
   79    H    TRP  11           HN       TRP  11  -9.492   0.185  -2.429
   80    HA   TRP  11           HA       TRP  11  -7.116  -0.079  -4.045
   81   1HB   TRP  11          HB2       TRP  11  -8.802   1.546  -4.596
   82   2HB   TRP  11          HB1       TRP  11  -8.749   2.245  -2.978
   83    HD1  TRP  11           HD1      TRP  11  -6.499   1.848  -6.090
   84    HE1  TRP  11           HE1      TRP  11  -4.864   3.840  -6.160
   85    HE3  TRP  11           HE3      TRP  11  -7.722   4.151  -1.700
   86    HZ2  TRP  11           HZ2      TRP  11  -4.168   6.112  -4.566
   87    HZ3  TRP  11           HZ3      TRP  11  -6.560   6.225  -1.001
   88    HH2  TRP  11           HH2      TRP  11  -4.785   7.208  -2.426
   89    H    ILE  12           HN       ILE  12  -7.716   1.214  -0.768
   90    HA   ILE  12           HA       ILE  12  -5.115   2.307  -0.282
   91    HB   ILE  12           HB       ILE  12  -7.254   1.084   1.494
   92   1HG1  ILE  12          HG12      ILE  12  -6.454   3.987   1.220
   93   2HG1  ILE  12          HG11      ILE  12  -7.621   3.248   0.123
   94   1HG2  ILE  12          HG21      ILE  12  -5.325   0.923   2.848
   95   2HG2  ILE  12          HG22      ILE  12  -6.011   2.485   3.293
   96   3HG2  ILE  12          HG23      ILE  12  -4.633   2.408   2.195
   97   1HD1  ILE  12          HD11      ILE  12  -8.543   4.425   2.238
   98   2HD1  ILE  12          HD12      ILE  12  -7.938   3.019   3.114
   99   3HD1  ILE  12          HD13      ILE  12  -9.161   2.817   1.861
  100    H    CYS  13           HN       CYS  13  -6.401  -0.992  -0.006
  101    HA   CYS  13           HA       CYS  13  -4.080  -2.152   1.286
  102   1HB   CYS  13          HB2       CYS  13  -6.450  -3.036   1.209
  103   2HB   CYS  13          HB1       CYS  13  -6.179  -3.447  -0.485
  104    HG   CYS  13           HG       CYS  13  -4.416  -5.194   0.228
  105    H    GLU  14           HN       GLU  14  -5.109  -1.747  -2.111
  106    HA   GLU  14           HA       GLU  14  -3.075  -3.332  -3.349
  107   1HB   GLU  14          HB2       GLU  14  -5.175  -1.494  -4.045
  108   2HB   GLU  14          HB1       GLU  14  -3.732  -1.078  -4.966
  109   1HG   GLU  14          HG2       GLU  14  -4.529  -3.962  -4.763
  110   2HG   GLU  14          HG1       GLU  14  -5.409  -2.913  -5.874
  111    H    VAL  15           HN       VAL  15  -3.109   0.013  -2.215
  112    HA   VAL  15           HA       VAL  15  -0.435   0.618  -3.294
  113    HB   VAL  15           HB       VAL  15  -2.224   2.101  -1.329
  114   1HG1  VAL  15          HG11      VAL  15  -0.353   3.375  -1.140
  115   2HG1  VAL  15          HG12      VAL  15  -0.781   3.964  -2.747
  116   3HG1  VAL  15          HG13      VAL  15   0.393   2.659  -2.569
  117   1HG2  VAL  15          HG21      VAL  15  -2.338   1.721  -4.251
  118   2HG2  VAL  15          HG22      VAL  15  -2.377   3.411  -3.751
  119   3HG2  VAL  15          HG23      VAL  15  -3.587   2.284  -3.141
  120    H    LEU  16           HN       LEU  16  -1.898  -0.270  -0.183
  121    HA   LEU  16           HA       LEU  16   0.269   0.243   1.575
  122   1HB   LEU  16          HB2       LEU  16  -2.115  -0.403   2.105
  123   2HB   LEU  16          HB1       LEU  16  -1.708  -2.058   1.655
  124    HG   LEU  16           HG       LEU  16   0.296  -1.103   3.469
  125   1HD1  LEU  16          HD11      LEU  16  -1.444   0.516   4.197
  126   2HD1  LEU  16          HD12      LEU  16  -1.082  -0.669   5.452
  127   3HD1  LEU  16          HD13      LEU  16  -2.550  -0.827   4.486
  128   1HD2  LEU  16          HD21      LEU  16  -0.343  -3.064   4.715
  129   2HD2  LEU  16          HD22      LEU  16  -0.516  -3.464   3.007
  130   3HD2  LEU  16          HD23      LEU  16  -1.943  -3.085   3.971
  131    H    SER  17           HN       SER  17  -0.433  -2.685  -0.381
  132    HA   SER  17           HA       SER  17   1.722  -4.295   0.602
  133   1HB   SER  17          HB2       SER  17   1.358  -5.482  -1.609
  134   2HB   SER  17          HB1       SER  17  -0.110  -5.232  -0.669
  135    HG   SER  17           HG       SER  17  -0.837  -4.061  -2.249
  136    H    ASP  18           HN       ASP  18   1.546  -2.067  -2.197
  137    HA   ASP  18           HA       ASP  18   4.262  -2.471  -3.084
  138   1HB   ASP  18          HB2       ASP  18   2.626  -1.530  -4.567
  139   2HB   ASP  18          HB1       ASP  18   2.187  -0.283  -3.401
  140    H    PHE  19           HN       PHE  19   2.745  -0.113  -0.868
  141    HA   PHE  19           HA       PHE  19   5.013   1.541  -0.367
  142   1HB   PHE  19          HB2       PHE  19   2.364   1.174   0.555
  143   2HB   PHE  19          HB1       PHE  19   3.383   1.064   1.988
  144    HD1  PHE  19           HD1      PHE  19   4.664   2.961   2.780
  145    HD2  PHE  19           HD2      PHE  19   2.368   3.214  -0.842
  146    HE1  PHE  19           HE1      PHE  19   4.948   5.423   2.773
  147    HE2  PHE  19           HE2      PHE  19   2.653   5.679  -0.848
  148    HZ   PHE  19           HZ       PHE  19   3.943   6.783   0.959
  149    H    LYS  20           HN       LYS  20   4.011  -1.566   1.039
  150    HA   LYS  20           HA       LYS  20   5.945  -1.718   3.149
  151   1HB   LYS  20          HB2       LYS  20   3.826  -3.128   2.589
  152   2HB   LYS  20          HB1       LYS  20   4.904  -4.063   1.551
  153   1HG   LYS  20          HG2       LYS  20   6.019  -3.567   4.223
  154   2HG   LYS  20          HG1       LYS  20   4.523  -4.500   4.256
  155   1HD   LYS  20          HD2       LYS  20   6.597  -5.250   2.234
  156   2HD   LYS  20          HD1       LYS  20   6.882  -5.693   3.917
  157   1HE   LYS  20          HE2       LYS  20   4.144  -6.262   2.913
  158   2HE   LYS  20          HE1       LYS  20   5.441  -7.247   2.210
  159   1HZ   LYS  20          HZ1       LYS  20   6.252  -7.723   4.436
  160   2HZ   LYS  20          HZ2       LYS  20   4.632  -8.213   4.288
  161   3HZ   LYS  20          HZ3       LYS  20   5.017  -6.781   5.118
  162    H    THR  21           HN       THR  21   6.067  -2.716  -0.290
  163    HA   THR  21           HA       THR  21   8.691  -3.942  -0.123
  164    HB   THR  21           HB       THR  21   7.433  -2.690  -2.576
  165    HG1  THR  21           HG1      THR  21   6.685  -5.023  -1.162
  166   1HG2  THR  21          HG21      THR  21   9.079  -5.192  -2.107
  167   2HG2  THR  21          HG22      THR  21   9.649  -3.695  -2.844
  168   3HG2  THR  21          HG23      THR  21   8.439  -4.677  -3.668
  169    H    TRP  22           HN       TRP  22   7.517  -0.673  -0.873
  170    HA   TRP  22           HA       TRP  22   9.930   0.503  -1.821
  171   1HB   TRP  22          HB2       TRP  22   7.428   1.327  -1.547
  172   2HB   TRP  22          HB1       TRP  22   8.011   1.941  -0.004
  173    HD1  TRP  22           HD1      TRP  22   8.137   2.585  -3.708
  174    HE1  TRP  22           HE1      TRP  22   9.497   4.728  -4.163
  175    HE3  TRP  22           HE3      TRP  22  10.089   3.389   0.939
  176    HZ2  TRP  22           HZ2      TRP  22  11.192   6.545  -2.738
  177    HZ3  TRP  22           HZ3      TRP  22  11.569   5.330   1.365
  178    HH2  TRP  22           HH2      TRP  22  12.123   6.907  -0.467
  179    H    LEU  23           HN       LEU  23   8.619   0.295   1.492
  180    HA   LEU  23           HA       LEU  23  10.925   1.498   2.775
  181   1HB   LEU  23          HB2       LEU  23   8.397   0.100   3.520
  182   2HB   LEU  23          HB1       LEU  23   9.669   0.129   4.741
  183    HG   LEU  23           HG       LEU  23   9.835   2.662   4.231
  184   1HD1  LEU  23          HD11      LEU  23   8.519   2.706   2.187
  185   2HD1  LEU  23          HD12      LEU  23   7.661   3.620   3.425
  186   3HD1  LEU  23          HD13      LEU  23   7.139   1.986   3.017
  187   1HD2  LEU  23          HD21      LEU  23   8.856   1.646   6.301
  188   2HD2  LEU  23          HD22      LEU  23   7.286   1.606   5.498
  189   3HD2  LEU  23          HD23      LEU  23   8.065   3.153   5.836
  190    H    LYS  24           HN       LYS  24   9.915  -1.868   2.118
  191    HA   LYS  24           HA       LYS  24  11.961  -3.174   3.661
  192   1HB   LYS  24          HB2       LYS  24   9.886  -4.215   2.763
  193   2HB   LYS  24          HB1       LYS  24  10.518  -4.034   1.128
  194   1HG   LYS  24          HG2       LYS  24  12.394  -5.359   2.963
  195   2HG   LYS  24          HG1       LYS  24  10.890  -6.251   2.732
  196   1HD   LYS  24          HD2       LYS  24  11.689  -5.286   0.176
  197   2HD   LYS  24          HD1       LYS  24  13.113  -6.002   0.929
  198   1HE   LYS  24          HE2       LYS  24  12.130  -7.888  -0.059
  199   2HE   LYS  24          HE1       LYS  24  11.403  -7.944   1.558
  200   1HZ   LYS  24          HZ1       LYS  24   9.623  -8.065   0.018
  201   2HZ   LYS  24          HZ2       LYS  24  10.236  -6.780  -0.913
  202   3HZ   LYS  24          HZ3       LYS  24   9.601  -6.485   0.635
  203    H    ALA  25           HN       ALA  25  11.845  -2.054   0.272
  204    HA   ALA  25           HA       ALA  25  14.498  -3.071  -0.398
  205   1HB   ALA  25          HB1       ALA  25  12.589  -2.680  -1.986
  206   2HB   ALA  25          HB2       ALA  25  14.074  -1.868  -2.484
  207   3HB   ALA  25          HB3       ALA  25  12.778  -0.945  -1.722
  208    H    LYS  26           HN       LYS  26  13.166   0.014   0.755
  209    HA   LYS  26           HA       LYS  26  15.585   1.566   0.346
  210   1HB   LYS  26          HB2       LYS  26  13.226   2.421   0.528
  211   2HB   LYS  26          HB1       LYS  26  13.252   1.999   2.240
  212   1HG   LYS  26          HG2       LYS  26  13.843   4.287   2.211
  213   2HG   LYS  26          HG1       LYS  26  15.388   3.450   2.365
  214   1HD   LYS  26          HD2       LYS  26  16.070   4.032   0.262
  215   2HD   LYS  26          HD1       LYS  26  14.443   3.912  -0.409
  216   1HE   LYS  26          HE2       LYS  26  13.896   6.053   0.903
  217   2HE   LYS  26          HE1       LYS  26  15.647   6.218   1.145
  218   1HZ   LYS  26          HZ1       LYS  26  15.967   6.034  -1.244
  219   2HZ   LYS  26          HZ2       LYS  26  14.934   7.334  -0.891
  220   3HZ   LYS  26          HZ3       LYS  26  14.296   5.877  -1.484
  221    H    LEU  27           HN       LEU  27  14.122  -0.029   3.211
  222    HA   LEU  27           HA       LEU  27  16.681   0.435   4.697
  223   1HB   LEU  27          HB2       LEU  27  14.177   1.092   5.385
  224   2HB   LEU  27          HB1       LEU  27  14.173  -0.563   5.984
  225    HG   LEU  27           HG       LEU  27  14.880   1.041   7.736
  226   1HD1  LEU  27          HD11      LEU  27  16.741  -0.214   8.514
  227   2HD1  LEU  27          HD12      LEU  27  17.286  -0.574   6.876
  228   3HD1  LEU  27          HD13      LEU  27  15.827  -1.338   7.509
  229   1HD2  LEU  27          HD21      LEU  27  17.399   1.525   6.152
  230   2HD2  LEU  27          HD22      LEU  27  16.751   2.447   7.509
  231   3HD2  LEU  27          HD23      LEU  27  15.988   2.559   5.923
  232    H    MET  28           HN       MET  28  18.007  -1.308   4.764
  233    HA   MET  28           HA       MET  28  16.824  -4.033   5.091
  234   1HB   MET  28          HB2       MET  28  17.952  -2.950   2.723
  235   2HB   MET  28          HB1       MET  28  19.143  -4.081   3.365
  236   1HG   MET  28          HG2       MET  28  17.219  -5.743   3.627
  237   2HG   MET  28          HG1       MET  28  16.257  -4.635   2.648
  238   1HE   MET  28          HE1       MET  28  16.084  -7.046   1.025
  239   2HE   MET  28          HE2       MET  28  17.099  -7.652   2.332
  240   3HE   MET  28          HE3       MET  28  17.585  -7.906   0.658
  241    HA   PRO  29           HA       PRO  29  20.166  -3.458   8.126
  242   1HB   PRO  29          HB2       PRO  29  19.194  -5.287   9.914
  243   2HB   PRO  29          HB1       PRO  29  18.620  -3.612   9.826
  244   1HG   PRO  29          HG2       PRO  29  17.377  -6.097   8.773
  245   2HG   PRO  29          HG1       PRO  29  16.614  -4.671   9.494
  246   1HD   PRO  29          HD2       PRO  29  16.695  -5.168   6.801
  247   2HD   PRO  29          HD1       PRO  29  16.550  -3.545   7.510
  248    H    GLN  30           HN       GLN  30  21.519  -5.265   9.304
  249    HA   GLN  30           HA       GLN  30  21.748  -7.748   7.659
  250   1HB   GLN  30          HB2       GLN  30  23.657  -5.462   7.925
  251   2HB   GLN  30          HB1       GLN  30  24.346  -7.084   7.872
  252   1HG   GLN  30          HG2       GLN  30  22.313  -6.894   5.855
  253   2HG   GLN  30          HG1       GLN  30  23.402  -5.518   5.688
  254   1HE2  GLN  30          HE21      GLN  30  23.462  -9.106   6.026
  255   2HE2  GLN  30          HE22      GLN  30  24.903  -9.310   5.152
  256    H    LEU  31           HN       LEU  31  22.531  -9.514   8.862
  257    HA   LEU  31           HA       LEU  31  23.624  -9.035  11.592
  258   1HB   LEU  31          HB2       LEU  31  20.945  -9.417  11.192
  259   2HB   LEU  31          HB1       LEU  31  21.488 -11.081  11.411
  260    HG   LEU  31           HG       LEU  31  22.461  -8.974  13.314
  261   1HD1  LEU  31          HD11      LEU  31  19.751 -10.334  13.405
  262   2HD1  LEU  31          HD12      LEU  31  20.052  -8.602  13.270
  263   3HD1  LEU  31          HD13      LEU  31  20.474  -9.457  14.753
  264   1HD2  LEU  31          HD21      LEU  31  23.431 -11.170  13.534
  265   2HD2  LEU  31          HD22      LEU  31  21.847 -11.941  13.443
  266   3HD2  LEU  31          HD23      LEU  31  22.282 -10.983  14.859
  Start of MODEL   15
    1   1H    SER   1           HT1      SER   1 -18.082  10.911  -8.921
    2   2H    SER   1           HT2      SER   1 -19.140  10.632  -7.620
    3   3H    SER   1           HT3      SER   1 -19.668  10.386  -9.217
    4    HA   SER   1           HA       SER   1 -17.862   8.629  -9.403
    5   1HB   SER   1          HB2       SER   1 -17.990   9.106  -6.406
    6   2HB   SER   1          HB1       SER   1 -17.089   7.811  -7.188
    7    HG   SER   1           HG       SER   1 -15.656   9.453  -6.913
    8    H    GLY   2           HN       GLY   2 -20.160   8.875  -6.639
    9   1HA   GLY   2          HA2       GLY   2 -22.338   7.846  -6.575
   10   2HA   GLY   2          HA1       GLY   2 -21.876   6.837  -7.948
   11    H    SER   3           HN       SER   3 -20.671   4.924  -7.562
   12    HA   SER   3           HA       SER   3 -20.918   3.849  -4.820
   13   1HB   SER   3          HB2       SER   3 -21.053   2.867  -7.448
   14   2HB   SER   3          HB1       SER   3 -19.572   2.175  -6.794
   15    HG   SER   3           HG       SER   3 -21.086   0.808  -6.088
   16    H    TRP   4           HN       TRP   4 -19.279   5.261  -3.826
   17    HA   TRP   4           HA       TRP   4 -16.456   4.661  -4.627
   18   1HB   TRP   4          HB2       TRP   4 -17.869   7.021  -4.117
   19   2HB   TRP   4          HB1       TRP   4 -16.922   6.775  -2.651
   20    HD1  TRP   4           HD1      TRP   4 -15.780   5.769  -6.183
   21    HE1  TRP   4           HE1      TRP   4 -13.640   7.092  -6.757
   22    HE3  TRP   4           HE3      TRP   4 -15.532   8.852  -2.119
   23    HZ2  TRP   4           HZ2      TRP   4 -12.043   9.185  -5.643
   24    HZ3  TRP   4           HZ3      TRP   4 -13.696  10.500  -1.903
   25    HH2  TRP   4           HH2      TRP   4 -11.952  10.671  -3.658
   26    H    LEU   5           HN       LEU   5 -15.276   5.384  -2.153
   27    HA   LEU   5           HA       LEU   5 -14.757   4.577  -0.004
   28   1HB   LEU   5          HB2       LEU   5 -17.460   4.804  -0.050
   29   2HB   LEU   5          HB1       LEU   5 -17.311   3.066   0.215
   30    HG   LEU   5           HG       LEU   5 -15.751   5.066   1.860
   31   1HD1  LEU   5          HD11      LEU   5 -18.474   3.874   2.475
   32   2HD1  LEU   5          HD12      LEU   5 -18.163   5.567   2.088
   33   3HD1  LEU   5          HD13      LEU   5 -17.513   4.867   3.570
   34   1HD2  LEU   5          HD21      LEU   5 -16.536   2.153   2.151
   35   2HD2  LEU   5          HD22      LEU   5 -15.875   3.099   3.483
   36   3HD2  LEU   5          HD23      LEU   5 -14.910   2.824   2.033
   37    H    ARG   6           HN       ARG   6 -16.760   1.966  -1.494
   38    HA   ARG   6           HA       ARG   6 -15.178  -0.203  -0.552
   39   1HB   ARG   6          HB2       ARG   6 -17.517  -0.044  -1.731
   40   2HB   ARG   6          HB1       ARG   6 -16.583  -0.215  -3.218
   41   1HG   ARG   6          HG2       ARG   6 -15.467  -2.237  -2.000
   42   2HG   ARG   6          HG1       ARG   6 -16.878  -2.166  -0.945
   43   1HD   ARG   6          HD2       ARG   6 -17.482  -2.036  -3.850
   44   2HD   ARG   6          HD1       ARG   6 -16.842  -3.586  -3.269
   45    HE   ARG   6           HE       ARG   6 -19.101  -2.259  -1.826
   46   1HH1  ARG   6          HH21      ARG   6 -18.137  -4.862  -0.813
   47   2HH1  ARG   6          HH22      ARG   6 -19.190  -5.996  -1.590
   48   1HH2  ARG   6          HH11      ARG   6 -20.274  -3.736  -3.998
   49   2HH2  ARG   6          HH12      ARG   6 -20.407  -5.355  -3.401
   50    H    ASP   7           HN       ASP   7 -14.956   1.625  -3.624
   51    HA   ASP   7           HA       ASP   7 -12.855   0.097  -4.825
   52   1HB   ASP   7          HB2       ASP   7 -14.303   1.744  -5.977
   53   2HB   ASP   7          HB1       ASP   7 -13.562   3.046  -5.044
   54    H    ILE   8           HN       ILE   8 -12.766   2.969  -2.695
   55    HA   ILE   8           HA       ILE   8  -9.861   3.174  -2.707
   56    HB   ILE   8           HB       ILE   8 -12.102   4.316  -1.012
   57   1HG1  ILE   8          HG12      ILE   8 -10.639   6.310  -2.364
   58   2HG1  ILE   8          HG11      ILE   8 -10.823   4.997  -3.529
   59   1HG2  ILE   8          HG21      ILE   8 -10.294   4.400   0.493
   60   2HG2  ILE   8          HG22      ILE   8 -10.204   5.961  -0.322
   61   3HG2  ILE   8          HG23      ILE   8  -9.114   4.657  -0.794
   62   1HD1  ILE   8          HD11      ILE   8 -12.798   6.189  -3.861
   63   2HD1  ILE   8          HD12      ILE   8 -12.943   6.621  -2.158
   64   3HD1  ILE   8          HD13      ILE   8 -13.314   4.980  -2.686
   65    H    TRP   9           HN       TRP   9 -12.272   1.584  -0.628
   66    HA   TRP   9           HA       TRP   9 -10.717   0.969   1.645
   67   1HB   TRP   9          HB2       TRP   9 -13.211   0.531   1.004
   68   2HB   TRP   9          HB1       TRP   9 -12.612  -0.995   0.355
   69    HD1  TRP   9           HD1      TRP   9 -13.000  -2.832   2.057
   70    HE1  TRP   9           HE1      TRP   9 -12.740  -3.077   4.609
   71    HE3  TRP   9           HE3      TRP   9 -11.583   1.925   3.263
   72    HZ2  TRP   9           HZ2      TRP   9 -12.026  -1.470   6.864
   73    HZ3  TRP   9           HZ3      TRP   9 -11.120   2.539   5.619
   74    HH2  TRP   9           HH2      TRP   9 -11.340   0.849   7.419
   75    H    ASP  10           HN       ASP  10 -11.106  -1.033  -1.318
   76    HA   ASP  10           HA       ASP  10  -9.189  -3.042  -0.596
   77   1HB   ASP  10          HB2       ASP  10 -10.819  -3.403  -2.344
   78   2HB   ASP  10          HB1       ASP  10 -10.260  -1.986  -3.233
   79    H    TRP  11           HN       TRP  11  -8.889   0.014  -2.415
   80    HA   TRP  11           HA       TRP  11  -6.162  -0.206  -3.215
   81   1HB   TRP  11          HB2       TRP  11  -7.800   1.470  -4.018
   82   2HB   TRP  11          HB1       TRP  11  -7.838   2.204  -2.417
   83    HD1  TRP  11           HD1      TRP  11  -5.637   1.839  -5.506
   84    HE1  TRP  11           HE1      TRP  11  -3.730   3.570  -5.378
   85    HE3  TRP  11           HE3      TRP  11  -6.369   3.612  -0.773
   86    HZ2  TRP  11           HZ2      TRP  11  -2.657   5.457  -3.514
   87    HZ3  TRP  11           HZ3      TRP  11  -4.893   5.373   0.153
   88    HH2  TRP  11           HH2      TRP  11  -3.039   6.297  -1.210
   89    H    ILE  12           HN       ILE  12  -7.620   1.026  -0.190
   90    HA   ILE  12           HA       ILE  12  -5.220   1.970   1.058
   91    HB   ILE  12           HB       ILE  12  -7.839   0.838   2.099
   92   1HG1  ILE  12          HG12      ILE  12  -6.929   3.695   2.291
   93   2HG1  ILE  12          HG11      ILE  12  -7.553   3.095   0.756
   94   1HG2  ILE  12          HG21      ILE  12  -7.055   2.210   4.206
   95   2HG2  ILE  12          HG22      ILE  12  -5.440   1.909   3.562
   96   3HG2  ILE  12          HG23      ILE  12  -6.489   0.554   3.984
   97   1HD1  ILE  12          HD11      ILE  12  -9.671   2.599   1.674
   98   2HD1  ILE  12          HD12      ILE  12  -9.247   4.144   2.409
   99   3HD1  ILE  12          HD13      ILE  12  -9.063   2.651   3.329
  100    H    CYS  13           HN       CYS  13  -6.727  -1.253   0.923
  101    HA   CYS  13           HA       CYS  13  -4.953  -2.564   2.780
  102   1HB   CYS  13          HB2       CYS  13  -7.225  -3.306   1.900
  103   2HB   CYS  13          HB1       CYS  13  -6.414  -3.739   0.395
  104    HG   CYS  13           HG       CYS  13  -5.035  -5.530   1.685
  105    H    GLU  14           HN       GLU  14  -4.866  -2.078  -0.759
  106    HA   GLU  14           HA       GLU  14  -2.552  -3.710  -1.273
  107   1HB   GLU  14          HB2       GLU  14  -4.347  -1.866  -2.631
  108   2HB   GLU  14          HB1       GLU  14  -2.684  -1.641  -3.170
  109   1HG   GLU  14          HG2       GLU  14  -3.309  -3.351  -4.591
  110   2HG   GLU  14          HG1       GLU  14  -2.727  -4.309  -3.231
  111    H    VAL  15           HN       VAL  15  -2.964  -0.274  -0.503
  112    HA   VAL  15           HA       VAL  15  -0.217   0.522  -0.858
  113    HB   VAL  15           HB       VAL  15  -2.514   1.594   0.822
  114   1HG1  VAL  15          HG11      VAL  15  -1.289   3.548   1.246
  115   2HG1  VAL  15          HG12      VAL  15  -0.140   3.228  -0.054
  116   3HG1  VAL  15          HG13      VAL  15  -0.064   2.296   1.441
  117   1HG2  VAL  15          HG21      VAL  15  -3.187   2.723  -1.048
  118   2HG2  VAL  15          HG22      VAL  15  -2.305   1.454  -1.896
  119   3HG2  VAL  15          HG23      VAL  15  -1.535   3.010  -1.590
  120    H    LEU  16           HN       LEU  16  -2.011  -0.861   1.877
  121    HA   LEU  16           HA       LEU  16  -0.001  -0.434   3.900
  122   1HB   LEU  16          HB2       LEU  16  -2.487  -1.014   4.115
  123   2HB   LEU  16          HB1       LEU  16  -2.034  -2.675   3.729
  124    HG   LEU  16           HG       LEU  16  -0.255  -2.305   5.652
  125   1HD1  LEU  16          HD11      LEU  16  -0.827   0.098   5.935
  126   2HD1  LEU  16          HD12      LEU  16  -1.095  -0.823   7.415
  127   3HD1  LEU  16          HD13      LEU  16  -2.465  -0.365   6.402
  128   1HD2  LEU  16          HD21      LEU  16  -1.880  -3.233   7.248
  129   2HD2  LEU  16          HD22      LEU  16  -2.113  -3.956   5.657
  130   3HD2  LEU  16          HD23      LEU  16  -3.212  -2.698   6.224
  131    H    SER  17           HN       SER  17  -0.706  -3.192   1.728
  132    HA   SER  17           HA       SER  17   1.449  -4.852   2.776
  133   1HB   SER  17          HB2       SER  17  -0.451  -4.890   0.439
  134   2HB   SER  17          HB1       SER  17   0.862  -6.062   0.522
  135    HG   SER  17           HG       SER  17  -0.023  -6.946   2.278
  136    H    ASP  18           HN       ASP  18   1.057  -2.750  -0.100
  137    HA   ASP  18           HA       ASP  18   3.667  -3.363  -1.204
  138   1HB   ASP  18          HB2       ASP  18   1.741  -2.492  -2.499
  139   2HB   ASP  18          HB1       ASP  18   1.829  -0.979  -1.597
  140    H    PHE  19           HN       PHE  19   2.534  -1.113   1.259
  141    HA   PHE  19           HA       PHE  19   4.492   0.893   1.260
  142   1HB   PHE  19          HB2       PHE  19   2.516  -0.166   2.983
  143   2HB   PHE  19          HB1       PHE  19   3.997  -0.118   3.934
  144    HD1  PHE  19           HD1      PHE  19   1.188   1.726   3.248
  145    HD2  PHE  19           HD2      PHE  19   5.462   2.157   3.258
  146    HE1  PHE  19           HE1      PHE  19   0.940   4.178   3.518
  147    HE2  PHE  19           HE2      PHE  19   5.214   4.609   3.526
  148    HZ   PHE  19           HZ       PHE  19   2.953   5.620   3.657
  149    H    LYS  20           HN       LYS  20   4.737  -2.421   2.551
  150    HA   LYS  20           HA       LYS  20   7.366  -2.145   3.705
  151   1HB   LYS  20          HB2       LYS  20   5.747  -3.910   4.284
  152   2HB   LYS  20          HB1       LYS  20   5.834  -4.547   2.642
  153   1HG   LYS  20          HG2       LYS  20   7.751  -5.666   3.078
  154   2HG   LYS  20          HG1       LYS  20   8.480  -4.260   3.853
  155   1HD   LYS  20          HD2       LYS  20   6.959  -4.785   5.860
  156   2HD   LYS  20          HD1       LYS  20   6.680  -6.348   5.091
  157   1HE   LYS  20          HE2       LYS  20   9.105  -6.808   5.100
  158   2HE   LYS  20          HE1       LYS  20   9.407  -5.226   5.846
  159   1HZ   LYS  20          HZ1       LYS  20   7.969  -5.854   7.688
  160   2HZ   LYS  20          HZ2       LYS  20   9.246  -6.965   7.529
  161   3HZ   LYS  20          HZ3       LYS  20   7.689  -7.372   6.985
  162    H    THR  21           HN       THR  21   6.265  -3.481   0.550
  163    HA   THR  21           HA       THR  21   8.963  -3.967  -0.418
  164    HB   THR  21           HB       THR  21   7.597  -4.125  -2.636
  165    HG1  THR  21           HG1      THR  21   5.744  -3.132  -2.301
  166   1HG2  THR  21          HG21      THR  21   6.650  -6.291  -1.942
  167   2HG2  THR  21          HG22      THR  21   6.860  -5.841  -0.250
  168   3HG2  THR  21          HG23      THR  21   8.271  -6.070  -1.282
  169    H    TRP  22           HN       TRP  22   6.632  -1.302  -0.771
  170    HA   TRP  22           HA       TRP  22   7.889   0.212  -2.809
  171   1HB   TRP  22          HB2       TRP  22   5.667   0.577  -1.634
  172   2HB   TRP  22          HB1       TRP  22   6.567   1.257  -0.284
  173    HD1  TRP  22           HD1      TRP  22   5.500   1.992  -3.853
  174    HE1  TRP  22           HE1      TRP  22   6.045   4.453  -4.402
  175    HE3  TRP  22           HE3      TRP  22   8.208   3.244   0.291
  176    HZ2  TRP  22           HZ2      TRP  22   7.444   6.660  -3.235
  177    HZ3  TRP  22           HZ3      TRP  22   9.132   5.527   0.549
  178    HH2  TRP  22           HH2      TRP  22   8.753   7.236  -1.207
  179    H    LEU  23           HN       LEU  23   8.337   0.445   0.732
  180    HA   LEU  23           HA       LEU  23  10.440   2.376   0.715
  181   1HB   LEU  23          HB2       LEU  23   9.201   0.432   2.557
  182   2HB   LEU  23          HB1       LEU  23  10.882   0.806   2.940
  183    HG   LEU  23           HG       LEU  23  10.045   3.302   2.489
  184   1HD1  LEU  23          HD11      LEU  23   7.567   2.034   3.666
  185   2HD1  LEU  23          HD12      LEU  23   7.724   2.333   1.935
  186   3HD1  LEU  23          HD13      LEU  23   7.774   3.681   3.071
  187   1HD2  LEU  23          HD21      LEU  23   9.424   1.810   5.059
  188   2HD2  LEU  23          HD22      LEU  23   9.748   3.537   4.899
  189   3HD2  LEU  23          HD23      LEU  23  11.031   2.366   4.592
  190    H    LYS  24           HN       LYS  24  10.565  -1.203   0.572
  191    HA   LYS  24           HA       LYS  24  13.454  -1.387   0.682
  192   1HB   LYS  24          HB2       LYS  24  11.402  -3.110   0.943
  193   2HB   LYS  24          HB1       LYS  24  11.790  -3.417  -0.750
  194   1HG   LYS  24          HG2       LYS  24  13.562  -4.659  -0.140
  195   2HG   LYS  24          HG1       LYS  24  14.244  -3.284   0.730
  196   1HD   LYS  24          HD2       LYS  24  12.781  -3.853   2.680
  197   2HD   LYS  24          HD1       LYS  24  12.250  -5.296   1.815
  198   1HE   LYS  24          HE2       LYS  24  14.638  -6.051   1.684
  199   2HE   LYS  24          HE1       LYS  24  15.093  -4.656   2.682
  200   1HZ   LYS  24          HZ1       LYS  24  14.661  -6.633   4.041
  201   2HZ   LYS  24          HZ2       LYS  24  13.077  -6.714   3.431
  202   3HZ   LYS  24          HZ3       LYS  24  13.557  -5.391   4.384
  203    H    ALA  25           HN       ALA  25  11.094  -1.227  -1.988
  204    HA   ALA  25           HA       ALA  25  13.045  -1.558  -4.112
  205   1HB   ALA  25          HB1       ALA  25  10.194  -0.569  -3.894
  206   2HB   ALA  25          HB2       ALA  25  10.765  -2.108  -4.538
  207   3HB   ALA  25          HB3       ALA  25  11.042  -0.618  -5.439
  208    H    LYS  26           HN       LYS  26  11.580   1.254  -2.482
  209    HA   LYS  26           HA       LYS  26  12.674   3.253  -4.264
  210   1HB   LYS  26          HB2       LYS  26  10.747   3.240  -2.434
  211   2HB   LYS  26          HB1       LYS  26  12.054   3.777  -1.377
  212   1HG   LYS  26          HG2       LYS  26  12.276   5.268  -3.787
  213   2HG   LYS  26          HG1       LYS  26  10.576   5.303  -3.315
  214   1HD   LYS  26          HD2       LYS  26  11.472   5.843  -0.936
  215   2HD   LYS  26          HD1       LYS  26  12.979   6.247  -1.758
  216   1HE   LYS  26          HE2       LYS  26  10.400   7.408  -2.794
  217   2HE   LYS  26          HE1       LYS  26  11.180   8.140  -1.378
  218   1HZ   LYS  26          HZ1       LYS  26  12.039   9.104  -3.430
  219   2HZ   LYS  26          HZ2       LYS  26  12.505   7.566  -3.981
  220   3HZ   LYS  26          HZ3       LYS  26  13.258   8.248  -2.619
  221    H    LEU  27           HN       LEU  27  13.852   1.746  -1.253
  222    HA   LEU  27           HA       LEU  27  16.066   3.533  -0.805
  223   1HB   LEU  27          HB2       LEU  27  14.921   1.739   0.698
  224   2HB   LEU  27          HB1       LEU  27  16.010   0.599  -0.094
  225    HG   LEU  27           HG       LEU  27  17.865   2.345   0.526
  226   1HD1  LEU  27          HD11      LEU  27  16.556   4.158   1.335
  227   2HD1  LEU  27          HD12      LEU  27  17.226   3.406   2.782
  228   3HD1  LEU  27          HD13      LEU  27  15.552   3.097   2.322
  229   1HD2  LEU  27          HD21      LEU  27  17.832   0.121   1.478
  230   2HD2  LEU  27          HD22      LEU  27  16.479   0.538   2.529
  231   3HD2  LEU  27          HD23      LEU  27  18.062   1.263   2.802
  232    H    MET  28           HN       MET  28  15.711   0.562  -2.733
  233    HA   MET  28           HA       MET  28  18.563   0.447  -3.420
  234   1HB   MET  28          HB2       MET  28  16.136  -1.152  -3.675
  235   2HB   MET  28          HB1       MET  28  17.064  -1.153  -5.174
  236   1HG   MET  28          HG2       MET  28  18.204  -2.842  -4.129
  237   2HG   MET  28          HG1       MET  28  19.077  -1.497  -3.395
  238   1HE   MET  28          HE1       MET  28  15.527  -3.788  -1.660
  239   2HE   MET  28          HE2       MET  28  16.764  -4.639  -2.581
  240   3HE   MET  28          HE3       MET  28  15.850  -3.338  -3.339
  241    HA   PRO  29           HA       PRO  29  18.331   3.067  -6.958
  242   1HB   PRO  29          HB2       PRO  29  20.336   2.005  -8.488
  243   2HB   PRO  29          HB1       PRO  29  20.636   2.972  -7.034
  244   1HG   PRO  29          HG2       PRO  29  20.739   0.029  -7.403
  245   2HG   PRO  29          HG1       PRO  29  21.749   1.078  -6.398
  246   1HD   PRO  29          HD2       PRO  29  19.695  -0.476  -5.441
  247   2HD   PRO  29          HD1       PRO  29  20.308   0.986  -4.637
  248    H    GLN  30           HN       GLN  30  18.571   2.639  -9.584
  249    HA   GLN  30           HA       GLN  30  16.221   1.112 -10.323
  250   1HB   GLN  30          HB2       GLN  30  17.468   3.214 -11.356
  251   2HB   GLN  30          HB1       GLN  30  18.331   1.981 -12.274
  252   1HG   GLN  30          HG2       GLN  30  16.571   1.722 -13.651
  253   2HG   GLN  30          HG1       GLN  30  15.518   1.365 -12.281
  254   1HE2  GLN  30          HE21      GLN  30  13.779   2.795 -12.207
  255   2HE2  GLN  30          HE22      GLN  30  13.841   4.433 -12.647
  256    H    LEU  31           HN       LEU  31  16.158  -0.810 -11.651
  257    HA   LEU  31           HA       LEU  31  18.705  -2.385 -11.787
  258   1HB   LEU  31          HB2       LEU  31  16.426  -2.778 -10.109
  259   2HB   LEU  31          HB1       LEU  31  16.442  -4.082 -11.296
  260    HG   LEU  31           HG       LEU  31  18.996  -3.322  -9.908
  261   1HD1  LEU  31          HD11      LEU  31  17.487  -3.599  -8.047
  262   2HD1  LEU  31          HD12      LEU  31  18.421  -5.089  -8.192
  263   3HD1  LEU  31          HD13      LEU  31  16.760  -5.029  -8.781
  264   1HD2  LEU  31          HD21      LEU  31  18.931  -4.936 -11.827
  265   2HD2  LEU  31          HD22      LEU  31  17.874  -5.974 -10.869
  266   3HD2  LEU  31          HD23      LEU  31  19.526  -5.665 -10.334
  Start of MODEL   16
    1   1H    SER   1           HT1      SER   1 -26.707   2.859  -4.933
    2   2H    SER   1           HT2      SER   1 -26.735   2.234  -3.353
    3   3H    SER   1           HT3      SER   1 -28.167   2.311  -4.264
    4    HA   SER   1           HA       SER   1 -27.333   0.035  -4.208
    5   1HB   SER   1          HB2       SER   1 -27.064   1.493  -6.859
    6   2HB   SER   1          HB1       SER   1 -27.385  -0.228  -6.669
    7    HG   SER   1           HG       SER   1 -29.359   0.675  -6.873
    8    H    GLY   2           HN       GLY   2 -25.115   2.027  -6.235
    9   1HA   GLY   2          HA2       GLY   2 -22.945   0.084  -5.699
   10   2HA   GLY   2          HA1       GLY   2 -22.891   1.394  -6.878
   11    H    SER   3           HN       SER   3 -21.353   0.485  -4.221
   12    HA   SER   3           HA       SER   3 -21.199   3.243  -3.041
   13   1HB   SER   3          HB2       SER   3 -21.993   1.588  -1.465
   14   2HB   SER   3          HB1       SER   3 -20.717   0.463  -1.922
   15    HG   SER   3           HG       SER   3 -20.623   2.761  -0.335
   16    H    TRP   4           HN       TRP   4 -19.411   4.259  -3.897
   17    HA   TRP   4           HA       TRP   4 -17.120   2.853  -4.982
   18   1HB   TRP   4          HB2       TRP   4 -18.005   5.118  -5.648
   19   2HB   TRP   4          HB1       TRP   4 -17.397   5.750  -4.119
   20    HD1  TRP   4           HD1      TRP   4 -15.603   3.209  -6.390
   21    HE1  TRP   4           HE1      TRP   4 -13.344   4.214  -7.107
   22    HE3  TRP   4           HE3      TRP   4 -16.037   7.881  -4.372
   23    HZ2  TRP   4           HZ2      TRP   4 -11.909   6.679  -6.865
   24    HZ3  TRP   4           HZ3      TRP   4 -14.211   9.536  -4.632
   25    HH2  TRP   4           HH2      TRP   4 -12.149   8.942  -5.875
   26    H    LEU   5           HN       LEU   5 -17.865   4.285  -1.824
   27    HA   LEU   5           HA       LEU   5 -15.264   4.430  -0.692
   28   1HB   LEU   5          HB2       LEU   5 -18.041   3.897   0.375
   29   2HB   LEU   5          HB1       LEU   5 -16.653   3.971   1.460
   30    HG   LEU   5           HG       LEU   5 -17.037   6.174  -0.535
   31   1HD1  LEU   5          HD11      LEU   5 -18.407   6.145   2.163
   32   2HD1  LEU   5          HD12      LEU   5 -19.243   5.738   0.664
   33   3HD1  LEU   5          HD13      LEU   5 -18.565   7.351   0.886
   34   1HD2  LEU   5          HD21      LEU   5 -16.038   6.100   2.331
   35   2HD2  LEU   5          HD22      LEU   5 -15.947   7.476   1.232
   36   3HD2  LEU   5          HD23      LEU   5 -15.007   6.022   0.903
   37    H    ARG   6           HN       ARG   6 -17.514   1.675  -0.959
   38    HA   ARG   6           HA       ARG   6 -16.103  -0.245   0.591
   39   1HB   ARG   6          HB2       ARG   6 -18.349  -0.089  -1.084
   40   2HB   ARG   6          HB1       ARG   6 -17.321  -1.301  -1.847
   41   1HG   ARG   6          HG2       ARG   6 -17.373  -1.665   1.032
   42   2HG   ARG   6          HG1       ARG   6 -19.007  -1.678   0.370
   43   1HD   ARG   6          HD2       ARG   6 -18.430  -3.917   0.064
   44   2HD   ARG   6          HD1       ARG   6 -17.847  -3.247  -1.472
   45    HE   ARG   6           HE       ARG   6 -15.599  -2.974  -0.295
   46   1HH1  ARG   6          HH21      ARG   6 -16.587  -3.825   2.423
   47   2HH1  ARG   6          HH22      ARG   6 -16.073  -5.478   2.489
   48   1HH2  ARG   6          HH11      ARG   6 -15.525  -5.715  -0.937
   49   2HH2  ARG   6          HH12      ARG   6 -15.467  -6.552   0.578
   50    H    ASP   7           HN       ASP   7 -15.667   0.826  -2.763
   51    HA   ASP   7           HA       ASP   7 -13.600  -1.149  -3.398
   52   1HB   ASP   7          HB2       ASP   7 -15.015  -0.338  -5.155
   53   2HB   ASP   7          HB1       ASP   7 -14.750   1.341  -4.690
   54    H    ILE   8           HN       ILE   8 -13.716   2.286  -2.443
   55    HA   ILE   8           HA       ILE   8 -11.000   3.010  -2.812
   56    HB   ILE   8           HB       ILE   8 -13.133   3.803  -0.807
   57   1HG1  ILE   8          HG12      ILE   8 -11.970   5.382  -3.114
   58   2HG1  ILE   8          HG11      ILE   8 -13.334   4.284  -3.326
   59   1HG2  ILE   8          HG21      ILE   8 -10.329   4.867  -1.179
   60   2HG2  ILE   8          HG22      ILE   8 -11.139   4.413   0.321
   61   3HG2  ILE   8          HG23      ILE   8 -11.619   5.880  -0.532
   62   1HD1  ILE   8          HD11      ILE   8 -13.391   6.967  -2.378
   63   2HD1  ILE   8          HD12      ILE   8 -13.833   5.927  -1.025
   64   3HD1  ILE   8          HD13      ILE   8 -14.744   5.848  -2.533
   65    H    TRP   9           HN       TRP   9 -12.562   1.363  -0.044
   66    HA   TRP   9           HA       TRP   9 -10.324   1.340   1.730
   67   1HB   TRP   9          HB2       TRP   9 -12.718   0.777   2.245
   68   2HB   TRP   9          HB1       TRP   9 -12.507  -0.740   1.370
   69    HD1  TRP   9           HD1      TRP   9 -12.138  -2.648   2.996
   70    HE1  TRP   9           HE1      TRP   9 -10.841  -2.982   5.199
   71    HE3  TRP   9           HE3      TRP   9 -10.318   2.077   3.678
   72    HZ2  TRP   9           HZ2      TRP   9  -9.244  -1.449   7.010
   73    HZ3  TRP   9           HZ3      TRP   9  -8.915   2.611   5.648
   74    HH2  TRP   9           HH2      TRP   9  -8.376   0.856   7.314
   75    H    ASP  10           HN       ASP  10 -11.274  -0.901  -0.877
   76    HA   ASP  10           HA       ASP  10  -9.301  -2.926  -0.386
   77   1HB   ASP  10          HB2       ASP  10 -11.342  -3.077  -1.838
   78   2HB   ASP  10          HB1       ASP  10 -10.553  -2.010  -2.999
   79    H    TRP  11           HN       TRP  11  -9.252   0.024  -2.401
   80    HA   TRP  11           HA       TRP  11  -6.627  -0.376  -3.519
   81   1HB   TRP  11          HB2       TRP  11  -8.277   1.150  -4.473
   82   2HB   TRP  11          HB1       TRP  11  -8.317   2.091  -2.983
   83    HD1  TRP  11           HD1      TRP  11  -5.985   1.232  -5.910
   84    HE1  TRP  11           HE1      TRP  11  -4.191   3.074  -6.090
   85    HE3  TRP  11           HE3      TRP  11  -7.107   3.963  -1.746
   86    HZ2  TRP  11           HZ2      TRP  11  -3.344   5.403  -4.656
   87    HZ3  TRP  11           HZ3      TRP  11  -5.792   5.985  -1.174
   88    HH2  TRP  11           HH2      TRP  11  -3.914   6.707  -2.622
   89    H    ILE  12           HN       ILE  12  -7.794   1.295  -0.581
   90    HA   ILE  12           HA       ILE  12  -5.326   2.472   0.246
   91    HB   ILE  12           HB       ILE  12  -7.785   1.428   1.686
   92   1HG1  ILE  12          HG12      ILE  12  -6.790   4.267   1.313
   93   2HG1  ILE  12          HG11      ILE  12  -7.848   3.470   0.149
   94   1HG2  ILE  12          HG21      ILE  12  -5.277   2.670   2.806
   95   2HG2  ILE  12          HG22      ILE  12  -6.219   1.316   3.432
   96   3HG2  ILE  12          HG23      ILE  12  -6.833   2.963   3.584
   97   1HD1  ILE  12          HD11      ILE  12  -9.281   4.694   1.632
   98   2HD1  ILE  12          HD12      ILE  12  -8.435   4.084   3.054
   99   3HD1  ILE  12          HD13      ILE  12  -9.430   2.997   2.085
  100    H    CYS  13           HN       CYS  13  -6.667  -0.792   0.710
  101    HA   CYS  13           HA       CYS  13  -4.593  -1.775   2.469
  102   1HB   CYS  13          HB2       CYS  13  -6.915  -2.714   2.060
  103   2HB   CYS  13          HB1       CYS  13  -6.339  -3.288   0.496
  104    HG   CYS  13           HG       CYS  13  -4.865  -5.007   1.638
  105    H    GLU  14           HN       GLU  14  -5.005  -1.643  -1.062
  106    HA   GLU  14           HA       GLU  14  -2.828  -3.311  -1.848
  107   1HB   GLU  14          HB2       GLU  14  -4.698  -1.386  -2.964
  108   2HB   GLU  14          HB1       GLU  14  -3.107  -1.201  -3.696
  109   1HG   GLU  14          HG2       GLU  14  -3.305  -3.136  -4.844
  110   2HG   GLU  14          HG1       GLU  14  -3.859  -4.009  -3.415
  111    H    VAL  15           HN       VAL  15  -2.985   0.221  -1.387
  112    HA   VAL  15           HA       VAL  15  -0.252   0.826  -1.940
  113    HB   VAL  15           HB       VAL  15  -2.250   2.139  -0.058
  114   1HG1  VAL  15          HG11      VAL  15   0.459   2.920  -1.064
  115   2HG1  VAL  15          HG12      VAL  15  -0.290   3.236   0.502
  116   3HG1  VAL  15          HG13      VAL  15  -0.761   4.183  -0.909
  117   1HG2  VAL  15          HG21      VAL  15  -3.352   2.466  -2.027
  118   2HG2  VAL  15          HG22      VAL  15  -1.941   2.032  -2.993
  119   3HG2  VAL  15          HG23      VAL  15  -2.099   3.665  -2.345
  120    H    LEU  16           HN       LEU  16  -1.854  -0.214   1.067
  121    HA   LEU  16           HA       LEU  16   0.362   0.187   2.850
  122   1HB   LEU  16          HB2       LEU  16  -2.123  -0.278   3.321
  123   2HB   LEU  16          HB1       LEU  16  -1.752  -1.976   3.020
  124    HG   LEU  16           HG       LEU  16   0.124  -0.636   4.862
  125   1HD1  LEU  16          HD11      LEU  16  -2.093   0.419   5.447
  126   2HD1  LEU  16          HD12      LEU  16  -1.384  -0.540   6.746
  127   3HD1  LEU  16          HD13      LEU  16  -2.707  -1.200   5.786
  128   1HD2  LEU  16          HD21      LEU  16  -0.147  -2.742   6.077
  129   2HD2  LEU  16          HD22      LEU  16   0.063  -3.086   4.360
  130   3HD2  LEU  16          HD23      LEU  16  -1.542  -3.165   5.085
  131    H    SER  17           HN       SER  17  -0.650  -2.614   0.874
  132    HA   SER  17           HA       SER  17   1.341  -4.463   1.788
  133   1HB   SER  17          HB2       SER  17  -0.521  -4.131  -0.507
  134   2HB   SER  17          HB1       SER  17   0.830  -5.230  -0.764
  135    HG   SER  17           HG       SER  17  -1.294  -5.946   0.322
  136    H    ASP  18           HN       ASP  18   1.344  -2.068  -0.867
  137    HA   ASP  18           HA       ASP  18   3.935  -2.773  -1.924
  138   1HB   ASP  18          HB2       ASP  18   2.358  -1.483  -3.227
  139   2HB   ASP  18          HB1       ASP  18   2.255  -0.245  -1.975
  140    H    PHE  19           HN       PHE  19   2.873  -0.613   0.698
  141    HA   PHE  19           HA       PHE  19   5.180   0.924   1.159
  142   1HB   PHE  19          HB2       PHE  19   2.783   0.240   2.468
  143   2HB   PHE  19          HB1       PHE  19   4.058  -0.153   3.617
  144    HD1  PHE  19           HD1      PHE  19   4.564   1.562   5.106
  145    HD2  PHE  19           HD2      PHE  19   3.433   2.558   1.082
  146    HE1  PHE  19           HE1      PHE  19   4.850   3.969   5.621
  147    HE2  PHE  19           HE2      PHE  19   3.720   4.966   1.599
  148    HZ   PHE  19           HZ       PHE  19   4.428   5.672   3.868
  149    H    LYS  20           HN       LYS  20   4.578  -2.481   1.930
  150    HA   LYS  20           HA       LYS  20   6.911  -2.946   3.554
  151   1HB   LYS  20          HB2       LYS  20   4.752  -4.345   3.109
  152   2HB   LYS  20          HB1       LYS  20   5.621  -4.954   1.701
  153   1HG   LYS  20          HG2       LYS  20   6.533  -6.476   3.102
  154   2HG   LYS  20          HG1       LYS  20   7.502  -5.144   3.732
  155   1HD   LYS  20          HD2       LYS  20   4.719  -5.619   4.780
  156   2HD   LYS  20          HD1       LYS  20   6.076  -6.558   5.404
  157   1HE   LYS  20          HE2       LYS  20   7.266  -4.435   5.961
  158   2HE   LYS  20          HE1       LYS  20   5.843  -3.525   5.414
  159   1HZ   LYS  20          HZ1       LYS  20   5.791  -5.654   7.491
  160   2HZ   LYS  20          HZ2       LYS  20   4.484  -4.682   7.008
  161   3HZ   LYS  20          HZ3       LYS  20   5.803  -3.992   7.826
  162    H    THR  21           HN       THR  21   6.294  -3.421   0.049
  163    HA   THR  21           HA       THR  21   9.069  -4.162  -0.514
  164    HB   THR  21           HB       THR  21   8.079  -3.750  -2.928
  165    HG1  THR  21           HG1      THR  21   6.263  -2.643  -2.496
  166   1HG2  THR  21          HG21      THR  21   7.070  -5.859  -1.008
  167   2HG2  THR  21          HG22      THR  21   8.484  -5.967  -2.055
  168   3HG2  THR  21          HG23      THR  21   6.866  -5.942  -2.758
  169    H    TRP  22           HN       TRP  22   7.114  -1.206  -0.683
  170    HA   TRP  22           HA       TRP  22   8.822   0.445  -2.245
  171   1HB   TRP  22          HB2       TRP  22   6.450   0.777  -1.166
  172   2HB   TRP  22          HB1       TRP  22   7.353   1.408   0.207
  173    HD1  TRP  22           HD1      TRP  22   6.390   2.203  -3.371
  174    HE1  TRP  22           HE1      TRP  22   7.112   4.617  -3.922
  175    HE3  TRP  22           HE3      TRP  22   9.148   3.269   0.790
  176    HZ2  TRP  22           HZ2      TRP  22   8.656   6.723  -2.749
  177    HZ3  TRP  22           HZ3      TRP  22  10.231   5.483   1.049
  178    HH2  TRP  22           HH2      TRP  22   9.989   7.209  -0.714
  179    H    LEU  23           HN       LEU  23   8.736  -0.026   1.302
  180    HA   LEU  23           HA       LEU  23  10.995   1.613   1.947
  181   1HB   LEU  23          HB2       LEU  23   9.345  -0.524   3.189
  182   2HB   LEU  23          HB1       LEU  23  10.945  -0.299   3.894
  183    HG   LEU  23           HG       LEU  23   9.592   2.243   3.364
  184   1HD1  LEU  23          HD11      LEU  23   8.213   1.629   5.627
  185   2HD1  LEU  23          HD12      LEU  23   8.155   0.077   4.788
  186   3HD1  LEU  23          HD13      LEU  23   7.522   1.527   4.008
  187   1HD2  LEU  23          HD21      LEU  23  10.712   0.955   5.876
  188   2HD2  LEU  23          HD22      LEU  23  10.305   2.660   5.689
  189   3HD2  LEU  23          HD23      LEU  23  11.624   1.961   4.751
  190    H    LYS  24           HN       LYS  24  10.741  -1.865   1.152
  191    HA   LYS  24           HA       LYS  24  13.528  -2.498   1.570
  192   1HB   LYS  24          HB2       LYS  24  11.468  -4.025   1.412
  193   2HB   LYS  24          HB1       LYS  24  11.582  -3.825  -0.337
  194   1HG   LYS  24          HG2       LYS  24  14.099  -4.509   0.040
  195   2HG   LYS  24          HG1       LYS  24  13.479  -5.207   1.536
  196   1HD   LYS  24          HD2       LYS  24  12.790  -7.001   0.368
  197   2HD   LYS  24          HD1       LYS  24  11.659  -5.961  -0.498
  198   1HE   LYS  24          HE2       LYS  24  14.546  -6.028  -1.360
  199   2HE   LYS  24          HE1       LYS  24  13.441  -7.316  -1.880
  200   1HZ   LYS  24          HZ1       LYS  24  12.871  -4.408  -2.135
  201   2HZ   LYS  24          HZ2       LYS  24  11.918  -5.685  -2.728
  202   3HZ   LYS  24          HZ3       LYS  24  13.449  -5.378  -3.399
  203    H    ALA  25           HN       ALA  25  11.662  -1.327  -1.217
  204    HA   ALA  25           HA       ALA  25  13.743  -1.658  -3.198
  205   1HB   ALA  25          HB1       ALA  25  11.150  -0.167  -2.905
  206   2HB   ALA  25          HB2       ALA  25  11.577  -1.444  -4.045
  207   3HB   ALA  25          HB3       ALA  25  12.190   0.192  -4.284
  208    H    LYS  26           HN       LYS  26  12.944   0.913  -0.890
  209    HA   LYS  26           HA       LYS  26  14.477   3.046  -2.023
  210   1HB   LYS  26          HB2       LYS  26  12.847   2.602   0.167
  211   2HB   LYS  26          HB1       LYS  26  14.425   2.840   0.918
  212   1HG   LYS  26          HG2       LYS  26  14.703   4.969  -0.246
  213   2HG   LYS  26          HG1       LYS  26  13.186   4.722  -1.112
  214   1HD   LYS  26          HD2       LYS  26  12.336   5.981   0.600
  215   2HD   LYS  26          HD1       LYS  26  12.305   4.424   1.429
  216   1HE   LYS  26          HE2       LYS  26  14.899   5.247   1.886
  217   2HE   LYS  26          HE1       LYS  26  14.003   6.777   1.947
  218   1HZ   LYS  26          HZ1       LYS  26  13.275   4.283   3.400
  219   2HZ   LYS  26          HZ2       LYS  26  12.402   5.742   3.441
  220   3HZ   LYS  26          HZ3       LYS  26  13.966   5.664   4.102
  221    H    LEU  27           HN       LEU  27  15.389   0.431   0.236
  222    HA   LEU  27           HA       LEU  27  18.228   1.345   0.198
  223   1HB   LEU  27          HB2       LEU  27  16.581   0.456   2.183
  224   2HB   LEU  27          HB1       LEU  27  17.356  -1.058   1.719
  225    HG   LEU  27           HG       LEU  27  19.481   0.715   1.781
  226   1HD1  LEU  27          HD11      LEU  27  17.978   2.415   2.817
  227   2HD1  LEU  27          HD12      LEU  27  19.297   1.937   3.887
  228   3HD1  LEU  27          HD13      LEU  27  17.674   1.297   4.147
  229   1HD2  LEU  27          HD21      LEU  27  18.435  -1.038   4.029
  230   2HD2  LEU  27          HD22      LEU  27  20.096  -0.472   3.854
  231   3HD2  LEU  27          HD23      LEU  27  19.417  -1.594   2.675
  232    H    MET  28           HN       MET  28  19.540  -1.085   0.495
  233    HA   MET  28           HA       MET  28  20.379  -2.947  -0.680
  234   1HB   MET  28          HB2       MET  28  17.694  -3.260  -0.532
  235   2HB   MET  28          HB1       MET  28  17.881  -3.190  -2.283
  236   1HG   MET  28          HG2       MET  28  19.074  -5.157  -2.373
  237   2HG   MET  28          HG1       MET  28  19.794  -4.917  -0.782
  238   1HE   MET  28          HE1       MET  28  16.596  -7.624  -1.962
  239   2HE   MET  28          HE2       MET  28  18.323  -7.912  -1.760
  240   3HE   MET  28          HE3       MET  28  17.769  -6.682  -2.892
  241    HA   PRO  29           HA       PRO  29  21.410  -0.361  -4.283
  242   1HB   PRO  29          HB2       PRO  29  24.053  -1.066  -4.339
  243   2HB   PRO  29          HB1       PRO  29  23.411   0.205  -3.284
  244   1HG   PRO  29          HG2       PRO  29  24.158  -2.593  -2.637
  245   2HG   PRO  29          HG1       PRO  29  24.326  -1.125  -1.663
  246   1HD   PRO  29          HD2       PRO  29  22.352  -3.005  -1.311
  247   2HD   PRO  29          HD1       PRO  29  22.227  -1.307  -0.803
  248    H    GLN  30           HN       GLN  30  22.999  -1.181  -6.254
  249    HA   GLN  30           HA       GLN  30  21.633  -3.378  -7.505
  250   1HB   GLN  30          HB2       GLN  30  23.295  -3.020  -9.273
  251   2HB   GLN  30          HB1       GLN  30  22.758  -1.464  -8.645
  252   1HG   GLN  30          HG2       GLN  30  24.845  -1.862  -6.999
  253   2HG   GLN  30          HG1       GLN  30  25.408  -2.808  -8.375
  254   1HE2  GLN  30          HE21      GLN  30  25.722   0.215  -7.132
  255   2HE2  GLN  30          HE22      GLN  30  25.882   1.115  -8.564
  256    H    LEU  31           HN       LEU  31  22.212  -5.551  -7.719
  257    HA   LEU  31           HA       LEU  31  24.806  -6.503  -6.625
  258   1HB   LEU  31          HB2       LEU  31  22.770  -6.285  -4.917
  259   2HB   LEU  31          HB1       LEU  31  22.296  -7.818  -5.649
  260    HG   LEU  31           HG       LEU  31  24.819  -8.458  -5.240
  261   1HD1  LEU  31          HD11      LEU  31  25.812  -7.373  -3.319
  262   2HD1  LEU  31          HD12      LEU  31  24.364  -6.403  -3.059
  263   3HD1  LEU  31          HD13      LEU  31  25.373  -6.118  -4.476
  264   1HD2  LEU  31          HD21      LEU  31  22.943  -8.254  -2.867
  265   2HD2  LEU  31          HD22      LEU  31  24.178  -9.480  -3.154
  266   3HD2  LEU  31          HD23      LEU  31  22.732  -9.430  -4.164
  Start of MODEL   17
    1   1H    SER   1           HT1      SER   1 -26.758   6.997   4.256
    2   2H    SER   1           HT2      SER   1 -25.707   6.305   5.398
    3   3H    SER   1           HT3      SER   1 -27.388   6.249   5.643
    4    HA   SER   1           HA       SER   1 -26.475   4.095   4.871
    5   1HB   SER   1          HB2       SER   1 -28.346   5.621   3.027
    6   2HB   SER   1          HB1       SER   1 -28.253   3.867   3.158
    7    HG   SER   1           HG       SER   1 -29.887   4.547   4.497
    8    H    GLY   2           HN       GLY   2 -25.051   3.090   3.469
    9   1HA   GLY   2          HA2       GLY   2 -23.898   2.762   1.387
   10   2HA   GLY   2          HA1       GLY   2 -24.325   4.408   0.917
   11    H    SER   3           HN       SER   3 -21.658   2.905   1.132
   12    HA   SER   3           HA       SER   3 -20.218   5.073   2.608
   13   1HB   SER   3          HB2       SER   3 -20.435   3.093   4.061
   14   2HB   SER   3          HB1       SER   3 -19.759   2.075   2.792
   15    HG   SER   3           HG       SER   3 -18.366   3.099   4.597
   16    H    TRP   4           HN       TRP   4 -18.891   6.016   1.119
   17    HA   TRP   4           HA       TRP   4 -18.119   4.689  -1.368
   18   1HB   TRP   4          HB2       TRP   4 -18.348   7.303  -0.336
   19   2HB   TRP   4          HB1       TRP   4 -16.632   7.094  -0.682
   20    HD1  TRP   4           HD1      TRP   4 -19.820   7.908  -2.317
   21    HE1  TRP   4           HE1      TRP   4 -19.580   7.828  -4.883
   22    HE3  TRP   4           HE3      TRP   4 -15.305   5.557  -2.709
   23    HZ2  TRP   4           HZ2      TRP   4 -17.719   6.891  -6.843
   24    HZ3  TRP   4           HZ3      TRP   4 -14.323   5.082  -4.932
   25    HH2  TRP   4           HH2      TRP   4 -15.523   5.745  -6.998
   26    H    LEU   5           HN       LEU   5 -16.559   5.424   1.732
   27    HA   LEU   5           HA       LEU   5 -13.845   4.945   1.116
   28   1HB   LEU   5          HB2       LEU   5 -15.630   4.719   3.502
   29   2HB   LEU   5          HB1       LEU   5 -14.021   4.008   3.625
   30    HG   LEU   5           HG       LEU   5 -13.349   6.370   2.520
   31   1HD1  LEU   5          HD11      LEU   5 -14.733   8.125   3.713
   32   2HD1  LEU   5          HD12      LEU   5 -15.901   6.855   4.080
   33   3HD1  LEU   5          HD13      LEU   5 -15.571   7.293   2.403
   34   1HD2  LEU   5          HD21      LEU   5 -13.914   5.896   5.467
   35   2HD2  LEU   5          HD22      LEU   5 -12.839   7.137   4.822
   36   3HD2  LEU   5          HD23      LEU   5 -12.443   5.432   4.612
   37    H    ARG   6           HN       ARG   6 -16.476   2.612   1.626
   38    HA   ARG   6           HA       ARG   6 -15.037   0.222   2.041
   39   1HB   ARG   6          HB2       ARG   6 -17.532   0.612   2.043
   40   2HB   ARG   6          HB1       ARG   6 -17.477   0.614   0.280
   41   1HG   ARG   6          HG2       ARG   6 -16.075  -1.685   0.942
   42   2HG   ARG   6          HG1       ARG   6 -17.364  -1.647   2.145
   43   1HD   ARG   6          HD2       ARG   6 -18.385  -0.947  -0.496
   44   2HD   ARG   6          HD1       ARG   6 -17.617  -2.546  -0.496
   45    HE   ARG   6           HE       ARG   6 -19.074  -3.138   1.438
   46   1HH1  ARG   6          HH21      ARG   6 -19.841  -0.286   2.120
   47   2HH1  ARG   6          HH22      ARG   6 -21.466  -0.212   1.524
   48   1HH2  ARG   6          HH11      ARG   6 -21.158  -3.083  -0.415
   49   2HH2  ARG   6          HH12      ARG   6 -22.217  -1.807   0.084
   50    H    ASP   7           HN       ASP   7 -15.748   1.903  -1.030
   51    HA   ASP   7           HA       ASP   7 -14.532  -0.115  -2.731
   52   1HB   ASP   7          HB2       ASP   7 -16.269   1.496  -3.450
   53   2HB   ASP   7          HB1       ASP   7 -15.156   2.831  -3.151
   54    H    ILE   8           HN       ILE   8 -13.449   3.019  -1.393
   55    HA   ILE   8           HA       ILE   8 -10.841   3.012  -2.629
   56    HB   ILE   8           HB       ILE   8 -11.908   4.343  -0.112
   57   1HG1  ILE   8          HG12      ILE   8 -11.514   5.899  -2.595
   58   2HG1  ILE   8          HG11      ILE   8 -12.783   4.679  -2.696
   59   1HG2  ILE   8          HG21      ILE   8  -9.360   4.633  -1.678
   60   2HG2  ILE   8          HG22      ILE   8  -9.601   4.638   0.069
   61   3HG2  ILE   8          HG23      ILE   8 -10.055   6.049  -0.886
   62   1HD1  ILE   8          HD11      ILE   8 -13.412   7.049  -1.816
   63   2HD1  ILE   8          HD12      ILE   8 -12.633   6.526  -0.322
   64   3HD1  ILE   8          HD13      ILE   8 -14.024   5.642  -0.948
   65    H    TRP   9           HN       TRP   9 -12.122   1.618   0.369
   66    HA   TRP   9           HA       TRP   9  -9.726   1.087   1.784
   67   1HB   TRP   9          HB2       TRP   9 -12.494   0.050   1.632
   68   2HB   TRP   9          HB1       TRP   9 -11.323  -1.083   2.306
   69    HD1  TRP   9           HD1      TRP   9 -13.634   1.289   3.527
   70    HE1  TRP   9           HE1      TRP   9 -12.886   2.380   5.741
   71    HE3  TRP   9           HE3      TRP   9  -8.679   0.054   3.493
   72    HZ2  TRP   9           HZ2      TRP   9 -10.502   2.690   7.290
   73    HZ3  TRP   9           HZ3      TRP   9  -7.194   0.758   5.346
   74    HH2  TRP   9           HH2      TRP   9  -8.098   2.074   7.244
   75    H    ASP  10           HN       ASP  10 -11.283  -0.780  -0.840
   76    HA   ASP  10           HA       ASP  10  -9.544  -3.052  -0.804
   77   1HB   ASP  10          HB2       ASP  10 -11.693  -2.861  -2.034
   78   2HB   ASP  10          HB1       ASP  10 -10.964  -1.668  -3.110
   79    H    TRP  11           HN       TRP  11  -9.346   0.030  -2.622
   80    HA   TRP  11           HA       TRP  11  -6.851  -0.549  -3.946
   81   1HB   TRP  11          HB2       TRP  11  -8.344   1.163  -4.768
   82   2HB   TRP  11          HB1       TRP  11  -8.335   1.995  -3.212
   83    HD1  TRP  11           HD1      TRP  11  -6.069   1.251  -6.218
   84    HE1  TRP  11           HE1      TRP  11  -4.172   2.996  -6.266
   85    HE3  TRP  11           HE3      TRP  11  -6.997   3.683  -1.826
   86    HZ2  TRP  11           HZ2      TRP  11  -3.180   5.142  -4.654
   87    HZ3  TRP  11           HZ3      TRP  11  -5.562   5.570  -1.106
   88    HH2  TRP  11           HH2      TRP  11  -3.656   6.302  -2.513
   89    H    ILE  12           HN       ILE  12  -7.664   1.044  -0.850
   90    HA   ILE  12           HA       ILE  12  -5.081   2.003  -0.136
   91    HB   ILE  12           HB       ILE  12  -7.483   0.982   1.405
   92   1HG1  ILE  12          HG12      ILE  12  -6.325   3.773   1.295
   93   2HG1  ILE  12          HG11      ILE  12  -7.428   3.185   0.051
   94   1HG2  ILE  12          HG21      ILE  12  -5.679   0.577   2.926
   95   2HG2  ILE  12          HG22      ILE  12  -6.369   2.128   3.401
   96   3HG2  ILE  12          HG23      ILE  12  -4.870   2.078   2.474
   97   1HD1  ILE  12          HD11      ILE  12  -8.441   4.446   2.085
   98   2HD1  ILE  12          HD12      ILE  12  -8.140   2.951   2.971
   99   3HD1  ILE  12          HD13      ILE  12  -9.211   2.946   1.570
  100    H    CYS  13           HN       CYS  13  -6.557  -1.220   0.252
  101    HA   CYS  13           HA       CYS  13  -4.350  -2.411   1.706
  102   1HB   CYS  13          HB2       CYS  13  -6.694  -3.246   1.658
  103   2HB   CYS  13          HB1       CYS  13  -6.516  -3.617  -0.057
  104    HG   CYS  13           HG       CYS  13  -4.947  -5.544   0.499
  105    H    GLU  14           HN       GLU  14  -5.186  -2.067  -1.732
  106    HA   GLU  14           HA       GLU  14  -3.229  -3.825  -2.849
  107   1HB   GLU  14          HB2       GLU  14  -5.093  -1.733  -3.650
  108   2HB   GLU  14          HB1       GLU  14  -3.608  -1.663  -4.594
  109   1HG   GLU  14          HG2       GLU  14  -3.871  -3.877  -5.388
  110   2HG   GLU  14          HG1       GLU  14  -5.057  -4.271  -4.143
  111    H    VAL  15           HN       VAL  15  -3.067  -0.473  -1.761
  112    HA   VAL  15           HA       VAL  15  -0.334  -0.050  -2.763
  113    HB   VAL  15           HB       VAL  15  -2.109   1.546  -0.878
  114   1HG1  VAL  15          HG11      VAL  15  -0.095   2.595  -0.553
  115   2HG1  VAL  15          HG12      VAL  15  -0.516   3.368  -2.081
  116   3HG1  VAL  15          HG13      VAL  15   0.584   1.989  -2.063
  117   1HG2  VAL  15          HG21      VAL  15  -1.995   2.856  -3.317
  118   2HG2  VAL  15          HG22      VAL  15  -3.339   1.859  -2.761
  119   3HG2  VAL  15          HG23      VAL  15  -2.089   1.160  -3.791
  120    H    LEU  16           HN       LEU  16  -1.895  -1.025   0.252
  121    HA   LEU  16           HA       LEU  16   0.222  -0.549   2.100
  122   1HB   LEU  16          HB2       LEU  16  -2.331  -1.559   2.137
  123   2HB   LEU  16          HB1       LEU  16  -1.384  -3.013   2.443
  124    HG   LEU  16           HG       LEU  16  -1.928  -1.966   4.571
  125   1HD1  LEU  16          HD11      LEU  16   0.390  -2.948   4.168
  126   2HD1  LEU  16          HD12      LEU  16   0.267  -1.811   5.510
  127   3HD1  LEU  16          HD13      LEU  16   0.960  -1.291   3.975
  128   1HD2  LEU  16          HD21      LEU  16  -1.517   0.300   5.079
  129   2HD2  LEU  16          HD22      LEU  16  -2.130   0.358   3.427
  130   3HD2  LEU  16          HD23      LEU  16  -0.397   0.494   3.730
  131    H    SER  17           HN       SER  17  -0.464  -3.433   0.074
  132    HA   SER  17           HA       SER  17   1.635  -5.107   1.020
  133   1HB   SER  17          HB2       SER  17   1.372  -6.133  -1.290
  134   2HB   SER  17          HB1       SER  17  -0.135  -5.934  -0.401
  135    HG   SER  17           HG       SER  17   0.854  -4.551  -2.625
  136    H    ASP  18           HN       ASP  18   1.637  -2.605  -1.530
  137    HA   ASP  18           HA       ASP  18   4.445  -3.036  -2.235
  138   1HB   ASP  18          HB2       ASP  18   2.811  -2.176  -3.845
  139   2HB   ASP  18          HB1       ASP  18   2.452  -0.809  -2.789
  140    H    PHE  19           HN       PHE  19   2.612  -0.768  -0.191
  141    HA   PHE  19           HA       PHE  19   4.467   1.189   0.470
  142   1HB   PHE  19          HB2       PHE  19   2.041   0.300   1.396
  143   2HB   PHE  19          HB1       PHE  19   3.081  -0.053   2.773
  144    HD1  PHE  19           HD1      PHE  19   1.309   2.507   0.983
  145    HD2  PHE  19           HD2      PHE  19   4.619   1.822   3.633
  146    HE1  PHE  19           HE1      PHE  19   1.299   4.904   1.616
  147    HE2  PHE  19           HE2      PHE  19   4.609   4.219   4.265
  148    HZ   PHE  19           HZ       PHE  19   2.949   5.762   3.257
  149    H    LYS  20           HN       LYS  20   4.226  -2.040   2.013
  150    HA   LYS  20           HA       LYS  20   6.473  -1.729   3.766
  151   1HB   LYS  20          HB2       LYS  20   4.593  -3.445   3.815
  152   2HB   LYS  20          HB1       LYS  20   5.428  -4.282   2.507
  153   1HG   LYS  20          HG2       LYS  20   6.244  -5.368   4.427
  154   2HG   LYS  20          HG1       LYS  20   7.505  -4.187   4.074
  155   1HD   LYS  20          HD2       LYS  20   5.258  -3.333   5.853
  156   2HD   LYS  20          HD1       LYS  20   6.470  -4.425   6.525
  157   1HE   LYS  20          HE2       LYS  20   7.920  -2.701   6.766
  158   2HE   LYS  20          HE1       LYS  20   7.800  -2.333   5.034
  159   1HZ   LYS  20          HZ1       LYS  20   5.859  -1.498   7.130
  160   2HZ   LYS  20          HZ2       LYS  20   5.700  -1.187   5.468
  161   3HZ   LYS  20          HZ3       LYS  20   6.968  -0.481   6.349
  162    H    THR  21           HN       THR  21   6.224  -3.135   0.476
  163    HA   THR  21           HA       THR  21   9.028  -3.861   0.301
  164    HB   THR  21           HB       THR  21   7.080  -3.262  -1.949
  165    HG1  THR  21           HG1      THR  21   5.970  -4.907  -1.312
  166   1HG2  THR  21          HG21      THR  21   8.525  -5.522  -2.577
  167   2HG2  THR  21          HG22      THR  21   9.709  -4.550  -1.703
  168   3HG2  THR  21          HG23      THR  21   8.906  -3.890  -3.129
  169    H    TRP  22           HN       TRP  22   7.131  -1.016  -0.687
  170    HA   TRP  22           HA       TRP  22   9.039   0.395  -2.221
  171   1HB   TRP  22          HB2       TRP  22   6.550   0.847  -1.543
  172   2HB   TRP  22          HB1       TRP  22   7.250   1.706  -0.175
  173    HD1  TRP  22           HD1      TRP  22   6.968   1.839  -3.978
  174    HE1  TRP  22           HE1      TRP  22   7.685   4.182  -4.779
  175    HE3  TRP  22           HE3      TRP  22   8.701   3.782   0.414
  176    HZ2  TRP  22           HZ2      TRP  22   8.840   6.567  -3.699
  177    HZ3  TRP  22           HZ3      TRP  22   9.602   6.089   0.501
  178    HH2  TRP  22           HH2      TRP  22   9.674   7.483  -1.549
  179    H    LEU  23           HN       LEU  23   8.505   0.484   1.310
  180    HA   LEU  23           HA       LEU  23  10.654   2.293   1.927
  181   1HB   LEU  23          HB2       LEU  23   8.766   0.491   3.300
  182   2HB   LEU  23          HB1       LEU  23  10.285   0.716   4.165
  183    HG   LEU  23           HG       LEU  23   9.878   3.264   3.588
  184   1HD1  LEU  23          HD11      LEU  23   7.502   3.842   3.544
  185   2HD1  LEU  23          HD12      LEU  23   7.061   2.136   3.615
  186   3HD1  LEU  23          HD13      LEU  23   7.875   2.779   2.188
  187   1HD2  LEU  23          HD21      LEU  23   9.915   2.106   5.858
  188   2HD2  LEU  23          HD22      LEU  23   8.166   1.937   5.708
  189   3HD2  LEU  23          HD23      LEU  23   8.896   3.542   5.762
  190    H    LYS  24           HN       LYS  24  10.498  -1.295   1.909
  191    HA   LYS  24           HA       LYS  24  13.215  -1.706   2.805
  192   1HB   LYS  24          HB2       LYS  24  10.905  -3.216   2.017
  193   2HB   LYS  24          HB1       LYS  24  12.300  -3.843   1.138
  194   1HG   LYS  24          HG2       LYS  24  13.538  -3.870   3.364
  195   2HG   LYS  24          HG1       LYS  24  11.983  -3.560   4.134
  196   1HD   LYS  24          HD2       LYS  24  12.581  -5.909   2.308
  197   2HD   LYS  24          HD1       LYS  24  12.518  -5.987   4.068
  198   1HE   LYS  24          HE2       LYS  24  10.200  -5.172   2.269
  199   2HE   LYS  24          HE1       LYS  24  10.367  -6.734   3.094
  200   1HZ   LYS  24          HZ1       LYS  24   9.153  -5.513   4.617
  201   2HZ   LYS  24          HZ2       LYS  24   9.952  -4.056   4.261
  202   3HZ   LYS  24          HZ3       LYS  24  10.736  -5.259   5.174
  203    H    ALA  25           HN       ALA  25  11.725  -1.477  -0.431
  204    HA   ALA  25           HA       ALA  25  14.088  -2.119  -1.949
  205   1HB   ALA  25          HB1       ALA  25  11.865  -2.228  -2.899
  206   2HB   ALA  25          HB2       ALA  25  12.746  -0.970  -3.767
  207   3HB   ALA  25          HB3       ALA  25  11.570  -0.529  -2.529
  208    H    LYS  26           HN       LYS  26  12.960   0.853  -0.419
  209    HA   LYS  26           HA       LYS  26  14.651   2.681  -1.904
  210   1HB   LYS  26          HB2       LYS  26  12.505   3.009  -0.419
  211   2HB   LYS  26          HB1       LYS  26  13.664   3.131   0.904
  212   1HG   LYS  26          HG2       LYS  26  14.723   5.030  -0.052
  213   2HG   LYS  26          HG1       LYS  26  13.965   4.760  -1.622
  214   1HD   LYS  26          HD2       LYS  26  12.217   6.043  -1.027
  215   2HD   LYS  26          HD1       LYS  26  11.902   4.997   0.359
  216   1HE   LYS  26          HE2       LYS  26  13.646   6.254   1.654
  217   2HE   LYS  26          HE1       LYS  26  13.805   7.366   0.280
  218   1HZ   LYS  26          HZ1       LYS  26  11.295   6.764   1.760
  219   2HZ   LYS  26          HZ2       LYS  26  11.410   7.777   0.398
  220   3HZ   LYS  26          HZ3       LYS  26  12.178   8.210   1.850
  221    H    LEU  27           HN       LEU  27  15.023   0.920   1.191
  222    HA   LEU  27           HA       LEU  27  17.943   1.589   1.110
  223   1HB   LEU  27          HB2       LEU  27  16.530   3.061   2.642
  224   2HB   LEU  27          HB1       LEU  27  16.228   1.616   3.607
  225    HG   LEU  27           HG       LEU  27  19.042   1.776   3.071
  226   1HD1  LEU  27          HD11      LEU  27  18.733   4.173   2.729
  227   2HD1  LEU  27          HD12      LEU  27  19.513   3.906   4.289
  228   3HD1  LEU  27          HD13      LEU  27  17.794   4.293   4.217
  229   1HD2  LEU  27          HD21      LEU  27  19.170   1.753   5.512
  230   2HD2  LEU  27          HD22      LEU  27  17.888   0.660   4.990
  231   3HD2  LEU  27          HD23      LEU  27  17.482   2.252   5.632
  232    H    MET  28           HN       MET  28  19.117  -0.265   1.235
  233    HA   MET  28           HA       MET  28  18.260  -2.486   2.996
  234   1HB   MET  28          HB2       MET  28  17.178  -2.623   0.647
  235   2HB   MET  28          HB1       MET  28  18.801  -2.989   0.061
  236   1HG   MET  28          HG2       MET  28  18.685  -5.109   0.823
  237   2HG   MET  28          HG1       MET  28  18.138  -4.575   2.412
  238   1HE   MET  28          HE1       MET  28  15.228  -6.790   2.213
  239   2HE   MET  28          HE2       MET  28  15.902  -5.550   3.268
  240   3HE   MET  28          HE3       MET  28  16.970  -6.734   2.519
  241    HA   PRO  29           HA       PRO  29  22.841  -1.823   2.573
  242   1HB   PRO  29          HB2       PRO  29  23.352  -1.500   5.242
  243   2HB   PRO  29          HB1       PRO  29  22.903  -0.160   4.173
  244   1HG   PRO  29          HG2       PRO  29  21.259  -1.639   6.147
  245   2HG   PRO  29          HG1       PRO  29  21.204   0.066   5.684
  246   1HD   PRO  29          HD2       PRO  29  19.429  -1.860   4.817
  247   2HD   PRO  29          HD1       PRO  29  19.742  -0.320   3.988
  248    H    GLN  30           HN       GLN  30  24.524  -3.005   4.309
  249    HA   GLN  30           HA       GLN  30  24.027  -5.849   3.997
  250   1HB   GLN  30          HB2       GLN  30  26.118  -4.078   5.244
  251   2HB   GLN  30          HB1       GLN  30  26.175  -5.817   5.525
  252   1HG   GLN  30          HG2       GLN  30  25.880  -4.733   2.730
  253   2HG   GLN  30          HG1       GLN  30  27.470  -4.855   3.479
  254   1HE2  GLN  30          HE21      GLN  30  28.146  -7.083   4.221
  255   2HE2  GLN  30          HE22      GLN  30  27.497  -8.441   3.438
  256    H    LEU  31           HN       LEU  31  23.764  -3.566   6.706
  257    HA   LEU  31           HA       LEU  31  23.111  -5.752   8.604
  258   1HB   LEU  31          HB2       LEU  31  24.624  -3.699   9.020
  259   2HB   LEU  31          HB1       LEU  31  23.128  -2.767   9.097
  260    HG   LEU  31           HG       LEU  31  22.504  -4.848  10.743
  261   1HD1  LEU  31          HD11      LEU  31  24.435  -5.300  12.179
  262   2HD1  LEU  31          HD12      LEU  31  25.450  -4.265  11.174
  263   3HD1  LEU  31          HD13      LEU  31  24.805  -5.771  10.522
  264   1HD2  LEU  31          HD21      LEU  31  24.008  -2.347  11.577
  265   2HD2  LEU  31          HD22      LEU  31  22.899  -3.284  12.578
  266   3HD2  LEU  31          HD23      LEU  31  22.290  -2.396  11.182
  Start of MODEL   18
    1   1H    SER   1           HT1      SER   1 -16.952   1.867 -16.834
    2   2H    SER   1           HT2      SER   1 -15.526   1.084 -16.344
    3   3H    SER   1           HT3      SER   1 -15.855   2.665 -15.816
    4    HA   SER   1           HA       SER   1 -17.806   1.843 -14.581
    5   1HB   SER   1          HB2       SER   1 -17.635  -0.187 -16.366
    6   2HB   SER   1          HB1       SER   1 -16.831  -0.940 -14.992
    7    HG   SER   1           HG       SER   1 -18.742  -1.196 -14.178
    8    H    GLY   2           HN       GLY   2 -17.490   1.115 -12.351
    9   1HA   GLY   2          HA2       GLY   2 -15.231  -0.128 -11.257
   10   2HA   GLY   2          HA1       GLY   2 -14.820   1.585 -11.347
   11    H    SER   3           HN       SER   3 -15.270  -0.072  -8.937
   12    HA   SER   3           HA       SER   3 -17.836   0.857  -7.813
   13   1HB   SER   3          HB2       SER   3 -16.653  -0.298  -5.749
   14   2HB   SER   3          HB1       SER   3 -17.253  -1.281  -7.079
   15    HG   SER   3           HG       SER   3 -15.266  -1.927  -7.269
   16    H    TRP   4           HN       TRP   4 -17.691   1.920  -5.543
   17    HA   TRP   4           HA       TRP   4 -15.579   4.056  -5.589
   18   1HB   TRP   4          HB2       TRP   4 -18.326   4.247  -5.849
   19   2HB   TRP   4          HB1       TRP   4 -18.088   4.564  -4.132
   20    HD1  TRP   4           HD1      TRP   4 -17.376   5.983  -7.577
   21    HE1  TRP   4           HE1      TRP   4 -16.467   8.384  -7.330
   22    HE3  TRP   4           HE3      TRP   4 -16.731   6.163  -2.514
   23    HZ2  TRP   4           HZ2      TRP   4 -15.583  10.146  -5.255
   24    HZ3  TRP   4           HZ3      TRP   4 -15.856   8.212  -1.430
   25    HH2  TRP   4           HH2      TRP   4 -15.281  10.201  -2.793
   26    H    LEU   5           HN       LEU   5 -17.875   2.537  -3.267
   27    HA   LEU   5           HA       LEU   5 -16.302   3.126  -0.933
   28   1HB   LEU   5          HB2       LEU   5 -18.661   1.491  -1.699
   29   2HB   LEU   5          HB1       LEU   5 -17.828   0.977  -0.232
   30    HG   LEU   5           HG       LEU   5 -18.508   3.881  -0.658
   31   1HD1  LEU   5          HD11      LEU   5 -20.620   2.702  -0.957
   32   2HD1  LEU   5          HD12      LEU   5 -20.602   3.447   0.641
   33   3HD1  LEU   5          HD13      LEU   5 -20.309   1.717   0.472
   34   1HD2  LEU   5          HD21      LEU   5 -18.209   2.141   1.813
   35   2HD2  LEU   5          HD22      LEU   5 -18.459   3.886   1.800
   36   3HD2  LEU   5          HD23      LEU   5 -16.960   3.205   1.167
   37    H    ARG   6           HN       ARG   6 -16.761   0.017  -2.680
   38    HA   ARG   6           HA       ARG   6 -14.815  -1.494  -1.243
   39   1HB   ARG   6          HB2       ARG   6 -16.476  -2.530  -2.657
   40   2HB   ARG   6          HB1       ARG   6 -15.922  -1.627  -4.065
   41   1HG   ARG   6          HG2       ARG   6 -14.202  -3.058  -4.464
   42   2HG   ARG   6          HG1       ARG   6 -13.824  -3.233  -2.751
   43   1HD   ARG   6          HD2       ARG   6 -16.379  -4.454  -3.730
   44   2HD   ARG   6          HD1       ARG   6 -14.854  -5.275  -4.126
   45    HE   ARG   6           HE       ARG   6 -15.408  -4.444  -1.307
   46   1HH1  ARG   6          HH11      ARG   6 -12.902  -5.917  -1.998
   47   2HH1  ARG   6          HH12      ARG   6 -13.322  -7.555  -1.623
   48   1HH2  ARG   6          HH21      ARG   6 -16.742  -6.939  -1.559
   49   2HH2  ARG   6          HH22      ARG   6 -15.506  -8.137  -1.373
   50    H    ASP   7           HN       ASP   7 -14.509   0.651  -4.058
   51    HA   ASP   7           HA       ASP   7 -11.830   0.016  -4.823
   52   1HB   ASP   7          HB2       ASP   7 -13.914   1.786  -5.527
   53   2HB   ASP   7          HB1       ASP   7 -12.534   2.815  -5.152
   54    H    ILE   8           HN       ILE   8 -13.102   2.461  -2.530
   55    HA   ILE   8           HA       ILE   8 -10.536   3.593  -1.846
   56    HB   ILE   8           HB       ILE   8 -13.293   3.514  -0.606
   57   1HG1  ILE   8          HG12      ILE   8 -11.639   5.824  -1.671
   58   2HG1  ILE   8          HG11      ILE   8 -12.767   4.899  -2.664
   59   1HG2  ILE   8          HG21      ILE   8 -12.342   5.363   0.926
   60   2HG2  ILE   8          HG22      ILE   8 -10.755   4.710   0.519
   61   3HG2  ILE   8          HG23      ILE   8 -11.942   3.695   1.338
   62   1HD1  ILE   8          HD11      ILE   8 -13.690   7.048  -1.625
   63   2HD1  ILE   8          HD12      ILE   8 -13.602   6.216  -0.072
   64   3HD1  ILE   8          HD13      ILE   8 -14.638   5.586  -1.353
   65    H    TRP   9           HN       TRP   9 -12.607   1.213  -0.120
   66    HA   TRP   9           HA       TRP   9 -10.826   0.685   2.043
   67   1HB   TRP   9          HB2       TRP   9 -12.932  -0.980   0.631
   68   2HB   TRP   9          HB1       TRP   9 -12.170  -1.473   2.140
   69    HD1  TRP   9           HD1      TRP   9 -15.263  -0.174   1.235
   70    HE1  TRP   9           HE1      TRP   9 -16.260   1.463   2.958
   71    HE3  TRP   9           HE3      TRP   9 -11.064   0.952   3.920
   72    HZ2  TRP   9           HZ2      TRP   9 -15.392   3.043   5.177
   73    HZ3  TRP   9           HZ3      TRP   9 -11.180   2.524   5.831
   74    HH2  TRP   9           HH2      TRP   9 -13.337   3.570   6.463
   75    H    ASP  10           HN       ASP  10 -11.207  -1.031  -1.079
   76    HA   ASP  10           HA       ASP  10  -9.182  -3.007  -0.631
   77   1HB   ASP  10          HB2       ASP  10 -11.042  -2.900  -2.379
   78   2HB   ASP  10          HB1       ASP  10 -10.012  -1.784  -3.277
   79    H    TRP  11           HN       TRP  11  -9.021   0.215  -2.214
   80    HA   TRP  11           HA       TRP  11  -6.274   0.074  -3.010
   81   1HB   TRP  11          HB2       TRP  11  -7.994   1.734  -3.761
   82   2HB   TRP  11          HB1       TRP  11  -7.917   2.487  -2.167
   83    HD1  TRP  11           HD1      TRP  11  -5.657   1.732  -5.198
   84    HE1  TRP  11           HE1      TRP  11  -3.765   3.482  -5.254
   85    HE3  TRP  11           HE3      TRP  11  -6.639   4.233  -0.855
   86    HZ2  TRP  11           HZ2      TRP  11  -2.796   5.656  -3.667
   87    HZ3  TRP  11           HZ3      TRP  11  -5.217   6.137  -0.151
   88    HH2  TRP  11           HH2      TRP  11  -3.299   6.850  -1.550
   89    H    ILE  12           HN       ILE  12  -7.794   1.154   0.041
   90    HA   ILE  12           HA       ILE  12  -5.453   2.188   1.319
   91    HB   ILE  12           HB       ILE  12  -8.016   0.883   2.286
   92   1HG1  ILE  12          HG12      ILE  12  -7.122   3.746   2.632
   93   2HG1  ILE  12          HG11      ILE  12  -7.876   3.209   1.131
   94   1HG2  ILE  12          HG21      ILE  12  -7.406   1.859   4.538
   95   2HG2  ILE  12          HG22      ILE  12  -5.778   2.124   3.915
   96   3HG2  ILE  12          HG23      ILE  12  -6.414   0.485   4.054
   97   1HD1  ILE  12          HD11      ILE  12  -9.726   3.924   2.370
   98   2HD1  ILE  12          HD12      ILE  12  -9.053   3.344   3.894
   99   3HD1  ILE  12          HD13      ILE  12  -9.698   2.196   2.721
  100    H    CYS  13           HN       CYS  13  -6.751  -1.113   1.046
  101    HA   CYS  13           HA       CYS  13  -4.821  -2.373   2.805
  102   1HB   CYS  13          HB2       CYS  13  -7.124  -3.183   2.009
  103   2HB   CYS  13          HB1       CYS  13  -6.339  -3.604   0.487
  104    HG   CYS  13           HG       CYS  13  -5.163  -5.519   1.592
  105    H    GLU  14           HN       GLU  14  -4.933  -1.649  -0.676
  106    HA   GLU  14           HA       GLU  14  -2.623  -3.214  -1.432
  107   1HB   GLU  14          HB2       GLU  14  -4.609  -1.526  -2.598
  108   2HB   GLU  14          HB1       GLU  14  -3.035  -0.917  -3.105
  109   1HG   GLU  14          HG2       GLU  14  -2.456  -2.913  -4.177
  110   2HG   GLU  14          HG1       GLU  14  -3.591  -3.869  -3.222
  111    H    VAL  15           HN       VAL  15  -3.088   0.195  -0.545
  112    HA   VAL  15           HA       VAL  15  -0.403   1.098  -0.975
  113    HB   VAL  15           HB       VAL  15  -2.639   1.976   0.884
  114   1HG1  VAL  15          HG11      VAL  15  -0.785   2.997   1.885
  115   2HG1  VAL  15          HG12      VAL  15  -1.277   4.212   0.707
  116   3HG1  VAL  15          HG13      VAL  15   0.083   3.145   0.357
  117   1HG2  VAL  15          HG21      VAL  15  -1.672   3.382  -1.601
  118   2HG2  VAL  15          HG22      VAL  15  -3.252   3.472  -0.822
  119   3HG2  VAL  15          HG23      VAL  15  -2.798   2.029  -1.728
  120    H    LEU  16           HN       LEU  16  -1.979  -0.417   1.840
  121    HA   LEU  16           HA       LEU  16   0.172  -0.049   3.713
  122   1HB   LEU  16          HB2       LEU  16  -2.219  -0.641   4.201
  123   2HB   LEU  16          HB1       LEU  16  -1.917  -2.248   3.538
  124    HG   LEU  16           HG       LEU  16   0.038  -1.372   5.575
  125   1HD1  LEU  16          HD11      LEU  16  -2.828  -2.002   6.350
  126   2HD1  LEU  16          HD12      LEU  16  -2.062  -0.420   6.497
  127   3HD1  LEU  16          HD13      LEU  16  -1.480  -1.774   7.464
  128   1HD2  LEU  16          HD21      LEU  16  -0.390  -3.707   6.358
  129   2HD2  LEU  16          HD22      LEU  16   0.040  -3.636   4.650
  130   3HD2  LEU  16          HD23      LEU  16  -1.643  -3.861   5.126
  131    H    SER  17           HN       SER  17  -0.688  -2.841   1.616
  132    HA   SER  17           HA       SER  17   1.574  -4.464   2.388
  133   1HB   SER  17          HB2       SER  17  -0.728  -4.916   1.105
  134   2HB   SER  17          HB1       SER  17   0.291  -4.671  -0.311
  135    HG   SER  17           HG       SER  17   0.903  -6.653   0.020
  136    H    ASP  18           HN       ASP  18   1.004  -2.195  -0.310
  137    HA   ASP  18           HA       ASP  18   3.520  -2.658  -1.649
  138   1HB   ASP  18          HB2       ASP  18   1.474  -1.628  -2.641
  139   2HB   ASP  18          HB1       ASP  18   1.702  -0.223  -1.601
  140    H    PHE  19           HN       PHE  19   2.491  -0.413   0.923
  141    HA   PHE  19           HA       PHE  19   4.615   1.403   1.024
  142   1HB   PHE  19          HB2       PHE  19   2.483   0.582   2.633
  143   2HB   PHE  19          HB1       PHE  19   3.897   0.339   3.653
  144    HD1  PHE  19           HD1      PHE  19   1.571   2.735   2.398
  145    HD2  PHE  19           HD2      PHE  19   5.627   2.288   3.742
  146    HE1  PHE  19           HE1      PHE  19   1.705   5.176   2.807
  147    HE2  PHE  19           HE2      PHE  19   5.760   4.730   4.151
  148    HZ   PHE  19           HZ       PHE  19   3.799   6.174   3.685
  149    H    LYS  20           HN       LYS  20   4.515  -1.835   2.560
  150    HA   LYS  20           HA       LYS  20   7.169  -1.779   3.647
  151   1HB   LYS  20          HB2       LYS  20   5.247  -3.329   4.200
  152   2HB   LYS  20          HB1       LYS  20   5.555  -4.160   2.676
  153   1HG   LYS  20          HG2       LYS  20   7.847  -4.680   3.400
  154   2HG   LYS  20          HG1       LYS  20   7.573  -3.818   4.915
  155   1HD   LYS  20          HD2       LYS  20   5.705  -6.033   4.117
  156   2HD   LYS  20          HD1       LYS  20   7.266  -6.428   4.839
  157   1HE   LYS  20          HE2       LYS  20   6.749  -5.277   6.860
  158   2HE   LYS  20          HE1       LYS  20   5.378  -4.430   6.118
  159   1HZ   LYS  20          HZ1       LYS  20   5.574  -7.384   6.401
  160   2HZ   LYS  20          HZ2       LYS  20   4.240  -6.505   5.821
  161   3HZ   LYS  20          HZ3       LYS  20   4.697  -6.383   7.453
  162    H    THR  21           HN       THR  21   5.915  -3.081   0.548
  163    HA   THR  21           HA       THR  21   8.483  -4.029  -0.397
  164    HB   THR  21           HB       THR  21   6.053  -3.219  -2.022
  165    HG1  THR  21           HG1      THR  21   5.018  -4.697  -0.981
  166   1HG2  THR  21          HG21      THR  21   6.881  -4.583  -3.675
  167   2HG2  THR  21          HG22      THR  21   7.663  -5.674  -2.529
  168   3HG2  THR  21          HG23      THR  21   8.411  -4.126  -2.925
  169    H    TRP  22           HN       TRP  22   6.669  -0.989  -0.830
  170    HA   TRP  22           HA       TRP  22   8.218   0.252  -2.846
  171   1HB   TRP  22          HB2       TRP  22   6.067   0.933  -1.473
  172   2HB   TRP  22          HB1       TRP  22   7.228   1.741  -0.424
  173    HD1  TRP  22           HD1      TRP  22   5.872   1.793  -3.999
  174    HE1  TRP  22           HE1      TRP  22   6.496   4.046  -5.084
  175    HE3  TRP  22           HE3      TRP  22   8.892   3.721  -0.359
  176    HZ2  TRP  22           HZ2      TRP  22   8.067   6.362  -4.488
  177    HZ3  TRP  22           HZ3      TRP  22   9.937   5.950  -0.642
  178    HH2  TRP  22           HH2      TRP  22   9.530   7.272  -2.701
  179    H    LEU  23           HN       LEU  23   8.655   0.387   0.700
  180    HA   LEU  23           HA       LEU  23  11.095   1.909   0.669
  181   1HB   LEU  23          HB2       LEU  23   9.465   0.308   2.555
  182   2HB   LEU  23          HB1       LEU  23  11.170   0.444   2.983
  183    HG   LEU  23           HG       LEU  23  10.790   2.998   2.410
  184   1HD1  LEU  23          HD11      LEU  23   8.425   2.516   1.631
  185   2HD1  LEU  23          HD12      LEU  23   8.558   3.782   2.850
  186   3HD1  LEU  23          HD13      LEU  23   8.020   2.168   3.312
  187   1HD2  LEU  23          HD21      LEU  23   9.669   1.787   4.956
  188   2HD2  LEU  23          HD22      LEU  23  10.344   3.405   4.767
  189   3HD2  LEU  23          HD23      LEU  23  11.390   1.991   4.633
  190    H    LYS  24           HN       LYS  24  10.479  -1.622   0.738
  191    HA   LYS  24           HA       LYS  24  13.237  -2.430   0.962
  192   1HB   LYS  24          HB2       LYS  24  10.623  -3.653   0.117
  193   2HB   LYS  24          HB1       LYS  24  12.115  -4.558  -0.144
  194   1HG   LYS  24          HG2       LYS  24  12.622  -3.957   2.351
  195   2HG   LYS  24          HG1       LYS  24  10.888  -3.653   2.450
  196   1HD   LYS  24          HD2       LYS  24  10.904  -5.902   2.981
  197   2HD   LYS  24          HD1       LYS  24  10.768  -6.020   1.227
  198   1HE   LYS  24          HE2       LYS  24  12.567  -7.464   1.621
  199   2HE   LYS  24          HE1       LYS  24  13.434  -5.938   1.355
  200   1HZ   LYS  24          HZ1       LYS  24  12.453  -6.763   4.032
  201   2HZ   LYS  24          HZ2       LYS  24  13.579  -5.545   3.656
  202   3HZ   LYS  24          HZ3       LYS  24  13.999  -7.181   3.472
  203    H    ALA  25           HN       ALA  25  11.079  -2.043  -1.870
  204    HA   ALA  25           HA       ALA  25  13.027  -2.824  -3.849
  205   1HB   ALA  25          HB1       ALA  25  10.582  -2.815  -4.175
  206   2HB   ALA  25          HB2       ALA  25  11.365  -1.797  -5.383
  207   3HB   ALA  25          HB3       ALA  25  10.558  -1.061  -3.998
  208    H    LYS  26           HN       LYS  26  12.224   0.283  -2.324
  209    HA   LYS  26           HA       LYS  26  13.548   2.060  -4.103
  210   1HB   LYS  26          HB2       LYS  26  12.467   2.017  -1.395
  211   2HB   LYS  26          HB1       LYS  26  13.894   3.046  -1.500
  212   1HG   LYS  26          HG2       LYS  26  12.051   3.369  -3.769
  213   2HG   LYS  26          HG1       LYS  26  11.342   3.811  -2.216
  214   1HD   LYS  26          HD2       LYS  26  13.047   5.415  -1.774
  215   2HD   LYS  26          HD1       LYS  26  14.073   4.793  -3.068
  216   1HE   LYS  26          HE2       LYS  26  11.346   5.771  -3.830
  217   2HE   LYS  26          HE1       LYS  26  12.579   6.984  -3.434
  218   1HZ   LYS  26          HZ1       LYS  26  12.815   4.778  -5.414
  219   2HZ   LYS  26          HZ2       LYS  26  14.114   5.762  -4.933
  220   3HZ   LYS  26          HZ3       LYS  26  12.785   6.441  -5.745
  221    H    LEU  27           HN       LEU  27  14.842   0.296  -1.260
  222    HA   LEU  27           HA       LEU  27  17.579   1.267  -1.886
  223   1HB   LEU  27          HB2       LEU  27  18.117   0.393   0.296
  224   2HB   LEU  27          HB1       LEU  27  16.557   1.197   0.437
  225    HG   LEU  27           HG       LEU  27  15.829  -1.377  -0.256
  226   1HD1  LEU  27          HD11      LEU  27  18.154  -1.531   1.687
  227   2HD1  LEU  27          HD12      LEU  27  18.188  -2.111   0.022
  228   3HD1  LEU  27          HD13      LEU  27  17.117  -2.871   1.199
  229   1HD2  LEU  27          HD21      LEU  27  15.546   0.411   1.914
  230   2HD2  LEU  27          HD22      LEU  27  16.050  -1.125   2.619
  231   3HD2  LEU  27          HD23      LEU  27  14.606  -1.050   1.609
  232    H    MET  28           HN       MET  28  15.608  -1.626  -2.223
  233    HA   MET  28           HA       MET  28  17.918  -2.990  -3.547
  234   1HB   MET  28          HB2       MET  28  16.487  -3.685  -1.090
  235   2HB   MET  28          HB1       MET  28  16.441  -4.995  -2.272
  236   1HG   MET  28          HG2       MET  28  18.785  -5.177  -2.349
  237   2HG   MET  28          HG1       MET  28  19.025  -3.565  -1.673
  238   1HE   MET  28          HE1       MET  28  20.848  -4.698  -0.030
  239   2HE   MET  28          HE2       MET  28  20.199  -4.544   1.601
  240   3HE   MET  28          HE3       MET  28  19.908  -3.268   0.420
  241    HA   PRO  29           HA       PRO  29  14.048  -3.036  -6.096
  242   1HB   PRO  29          HB2       PRO  29  15.284  -2.390  -8.452
  243   2HB   PRO  29          HB1       PRO  29  14.696  -1.179  -7.299
  244   1HG   PRO  29          HG2       PRO  29  17.460  -2.182  -7.746
  245   2HG   PRO  29          HG1       PRO  29  16.901  -0.543  -7.380
  246   1HD   PRO  29          HD2       PRO  29  18.015  -2.205  -5.526
  247   2HD   PRO  29          HD1       PRO  29  16.853  -0.922  -5.125
  248    H    GLN  30           HN       GLN  30  13.841  -4.259  -8.344
  249    HA   GLN  30           HA       GLN  30  15.750  -6.532  -8.575
  250   1HB   GLN  30          HB2       GLN  30  13.792  -8.112  -8.433
  251   2HB   GLN  30          HB1       GLN  30  14.111  -7.256  -6.926
  252   1HG   GLN  30          HG2       GLN  30  12.178  -6.021  -7.059
  253   2HG   GLN  30          HG1       GLN  30  12.227  -5.940  -8.819
  254   1HE2  GLN  30          HE21      GLN  30  10.949  -7.731  -6.102
  255   2HE2  GLN  30          HE22      GLN  30  10.110  -8.893  -7.011
  256    H    LEU  31           HN       LEU  31  15.523  -4.511 -10.450
  257    HA   LEU  31           HA       LEU  31  13.696  -5.525 -12.587
  258   1HB   LEU  31          HB2       LEU  31  13.776  -3.097 -11.793
  259   2HB   LEU  31          HB1       LEU  31  15.379  -3.006 -12.523
  260    HG   LEU  31           HG       LEU  31  14.094  -4.032 -14.620
  261   1HD1  LEU  31          HD11      LEU  31  11.813  -3.019 -14.760
  262   2HD1  LEU  31          HD12      LEU  31  11.951  -2.549 -13.066
  263   3HD1  LEU  31          HD13      LEU  31  11.934  -4.256 -13.508
  264   1HD2  LEU  31          HD21      LEU  31  13.873  -1.110 -13.820
  265   2HD2  LEU  31          HD22      LEU  31  13.829  -1.744 -15.466
  266   3HD2  LEU  31          HD23      LEU  31  15.311  -1.859 -14.516
  Start of MODEL   19
    1   1H    SER   1           HT1      SER   1 -27.737  -1.236  -4.597
    2   2H    SER   1           HT2      SER   1 -26.174  -1.907  -4.602
    3   3H    SER   1           HT3      SER   1 -26.961  -1.567  -6.070
    4    HA   SER   1           HA       SER   1 -26.828   0.790  -5.687
    5   1HB   SER   1          HB2       SER   1 -25.712  -0.132  -3.019
    6   2HB   SER   1          HB1       SER   1 -25.801   1.548  -3.539
    7    HG   SER   1           HG       SER   1 -27.635   1.165  -2.383
    8    H    GLY   2           HN       GLY   2 -24.762   2.055  -5.890
    9   1HA   GLY   2          HA2       GLY   2 -22.697   0.466  -7.186
   10   2HA   GLY   2          HA1       GLY   2 -22.660   2.213  -6.949
   11    H    SER   3           HN       SER   3 -20.433   0.406  -6.510
   12    HA   SER   3           HA       SER   3 -20.144   0.387  -3.533
   13   1HB   SER   3          HB2       SER   3 -19.740  -1.679  -4.884
   14   2HB   SER   3          HB1       SER   3 -18.453  -0.835  -5.742
   15    HG   SER   3           HG       SER   3 -17.197  -1.054  -4.056
   16    H    TRP   4           HN       TRP   4 -19.234   2.264  -2.759
   17    HA   TRP   4           HA       TRP   4 -17.044   3.545  -4.370
   18   1HB   TRP   4          HB2       TRP   4 -19.522   4.526  -3.451
   19   2HB   TRP   4          HB1       TRP   4 -18.319   5.241  -2.379
   20    HD1  TRP   4           HD1      TRP   4 -19.349   5.079  -6.056
   21    HE1  TRP   4           HE1      TRP   4 -18.213   7.019  -7.321
   22    HE3  TRP   4           HE3      TRP   4 -16.292   6.860  -2.375
   23    HZ2  TRP   4           HZ2      TRP   4 -16.264   9.055  -6.834
   24    HZ3  TRP   4           HZ3      TRP   4 -14.807   8.797  -2.801
   25    HH2  TRP   4           HH2      TRP   4 -14.789   9.895  -5.024
   26    H    LEU   5           HN       LEU   5 -18.218   3.516  -0.966
   27    HA   LEU   5           HA       LEU   5 -15.718   4.083   0.263
   28   1HB   LEU   5          HB2       LEU   5 -18.323   2.816   1.046
   29   2HB   LEU   5          HB1       LEU   5 -16.975   2.714   2.179
   30    HG   LEU   5           HG       LEU   5 -17.734   5.348   0.919
   31   1HD1  LEU   5          HD11      LEU   5 -18.862   4.143   3.465
   32   2HD1  LEU   5          HD12      LEU   5 -19.768   4.460   1.985
   33   3HD1  LEU   5          HD13      LEU   5 -19.113   5.801   2.923
   34   1HD2  LEU   5          HD21      LEU   5 -16.522   6.276   2.750
   35   2HD2  LEU   5          HD22      LEU   5 -15.545   4.915   2.198
   36   3HD2  LEU   5          HD23      LEU   5 -16.549   4.753   3.639
   37    H    ARG   6           HN       ARG   6 -17.203   0.949  -0.600
   38    HA   ARG   6           HA       ARG   6 -15.112  -0.689   0.562
   39   1HB   ARG   6          HB2       ARG   6 -17.605  -1.141  -0.283
   40   2HB   ARG   6          HB1       ARG   6 -16.772  -1.558  -1.779
   41   1HG   ARG   6          HG2       ARG   6 -16.475  -3.604  -0.859
   42   2HG   ARG   6          HG1       ARG   6 -15.246  -2.836   0.145
   43   1HD   ARG   6          HD2       ARG   6 -18.029  -2.500   1.117
   44   2HD   ARG   6          HD1       ARG   6 -17.401  -4.158   1.176
   45    HE   ARG   6           HE       ARG   6 -15.315  -2.991   2.274
   46   1HH1  ARG   6          HH11      ARG   6 -18.213  -3.464   3.633
   47   2HH1  ARG   6          HH12      ARG   6 -18.191  -2.119   4.722
   48   1HH2  ARG   6          HH21      ARG   6 -15.443  -0.612   3.226
   49   2HH2  ARG   6          HH22      ARG   6 -16.617  -0.502   4.493
   50    H    ASP   7           HN       ASP   7 -15.706   0.668  -2.678
   51    HA   ASP   7           HA       ASP   7 -13.639  -0.647  -4.126
   52   1HB   ASP   7          HB2       ASP   7 -15.599   0.936  -4.825
   53   2HB   ASP   7          HB1       ASP   7 -14.442   2.235  -4.535
   54    H    ILE   8           HN       ILE   8 -13.575   2.348  -2.176
   55    HA   ILE   8           HA       ILE   8 -10.807   3.004  -2.737
   56    HB   ILE   8           HB       ILE   8 -12.721   3.749  -0.496
   57   1HG1  ILE   8          HG12      ILE   8 -11.899   5.589  -2.712
   58   2HG1  ILE   8          HG11      ILE   8 -13.071   4.324  -3.080
   59   1HG2  ILE   8          HG21      ILE   8 -10.997   5.832  -0.662
   60   2HG2  ILE   8          HG22      ILE   8  -9.905   4.510  -1.074
   61   3HG2  ILE   8          HG23      ILE   8 -10.775   4.491   0.460
   62   1HD1  ILE   8          HD11      ILE   8 -13.389   6.755  -1.450
   63   2HD1  ILE   8          HD12      ILE   8 -14.031   5.295  -0.696
   64   3HD1  ILE   8          HD13      ILE   8 -14.607   5.793  -2.286
   65    H    TRP   9           HN       TRP   9 -12.455   1.166  -0.166
   66    HA   TRP   9           HA       TRP   9 -10.335   0.809   1.666
   67   1HB   TRP   9          HB2       TRP   9 -12.788   0.131   1.819
   68   2HB   TRP   9          HB1       TRP   9 -12.373  -1.281   0.845
   69    HD1  TRP   9           HD1      TRP   9 -12.011  -3.315   2.317
   70    HE1  TRP   9           HE1      TRP   9 -10.954  -3.767   4.625
   71    HE3  TRP   9           HE3      TRP   9 -10.714   1.443   3.642
   72    HZ2  TRP   9           HZ2      TRP   9  -9.722  -2.303   6.752
   73    HZ3  TRP   9           HZ3      TRP   9  -9.601   1.885   5.810
   74    HH2  TRP   9           HH2      TRP   9  -9.104   0.020   7.366
   75    H    ASP  10           HN       ASP  10 -11.071  -1.027  -1.313
   76    HA   ASP  10           HA       ASP  10  -9.093  -3.070  -1.031
   77   1HB   ASP  10          HB2       ASP  10 -11.008  -2.930  -2.674
   78   2HB   ASP  10          HB1       ASP  10 -10.083  -1.721  -3.565
   79    H    TRP  11           HN       TRP  11  -8.920   0.142  -2.611
   80    HA   TRP  11           HA       TRP  11  -6.178  -0.072  -3.462
   81   1HB   TRP  11          HB2       TRP  11  -7.741   1.534  -4.411
   82   2HB   TRP  11          HB1       TRP  11  -7.996   2.278  -2.833
   83    HD1  TRP  11           HD1      TRP  11  -5.197   1.742  -5.429
   84    HE1  TRP  11           HE1      TRP  11  -3.498   3.664  -5.192
   85    HE3  TRP  11           HE3      TRP  11  -7.149   4.147  -1.371
   86    HZ2  TRP  11           HZ2      TRP  11  -3.029   5.929  -3.506
   87    HZ3  TRP  11           HZ3      TRP  11  -6.057   6.182  -0.471
   88    HH2  TRP  11           HH2      TRP  11  -4.002   7.074  -1.531
   89    H    ILE  12           HN       ILE  12  -7.695   1.156  -0.470
   90    HA   ILE  12           HA       ILE  12  -5.373   2.296   0.746
   91    HB   ILE  12           HB       ILE  12  -7.897   0.977   1.796
   92   1HG1  ILE  12          HG12      ILE  12  -7.101   3.883   1.963
   93   2HG1  ILE  12          HG11      ILE  12  -7.819   3.233   0.489
   94   1HG2  ILE  12          HG21      ILE  12  -5.573   2.180   3.284
   95   2HG2  ILE  12          HG22      ILE  12  -6.507   0.734   3.668
   96   3HG2  ILE  12          HG23      ILE  12  -7.205   2.331   3.935
   97   1HD1  ILE  12          HD11      ILE  12  -9.440   4.245   2.207
   98   2HD1  ILE  12          HD12      ILE  12  -9.098   2.827   3.197
   99   3HD1  ILE  12          HD13      ILE  12  -9.830   2.635   1.605
  100    H    CYS  13           HN       CYS  13  -6.583  -1.047   0.629
  101    HA   CYS  13           HA       CYS  13  -4.589  -2.148   2.440
  102   1HB   CYS  13          HB2       CYS  13  -6.843  -3.116   1.903
  103   2HB   CYS  13          HB1       CYS  13  -6.268  -3.460   0.272
  104    HG   CYS  13           HG       CYS  13  -4.580  -5.173   1.248
  105    H    GLU  14           HN       GLU  14  -4.836  -1.671  -1.076
  106    HA   GLU  14           HA       GLU  14  -2.570  -3.238  -1.876
  107   1HB   GLU  14          HB2       GLU  14  -4.553  -1.587  -3.015
  108   2HB   GLU  14          HB1       GLU  14  -3.018  -0.853  -3.474
  109   1HG   GLU  14          HG2       GLU  14  -2.338  -3.338  -4.044
  110   2HG   GLU  14          HG1       GLU  14  -4.083  -3.581  -4.132
  111    H    VAL  15           HN       VAL  15  -2.905   0.205  -1.041
  112    HA   VAL  15           HA       VAL  15  -0.154   0.941  -1.468
  113    HB   VAL  15           HB       VAL  15  -2.320   2.076   0.340
  114   1HG1  VAL  15          HG11      VAL  15  -0.516   3.247   1.141
  115   2HG1  VAL  15          HG12      VAL  15  -0.774   4.196  -0.322
  116   3HG1  VAL  15          HG13      VAL  15   0.458   2.933  -0.296
  117   1HG2  VAL  15          HG21      VAL  15  -1.845   2.105  -2.546
  118   2HG2  VAL  15          HG22      VAL  15  -1.935   3.732  -1.873
  119   3HG2  VAL  15          HG23      VAL  15  -3.275   2.610  -1.644
  120    H    LEU  16           HN       LEU  16  -1.917  -0.322   1.358
  121    HA   LEU  16           HA       LEU  16   0.124   0.012   3.333
  122   1HB   LEU  16          HB2       LEU  16  -2.339  -0.651   3.571
  123   2HB   LEU  16          HB1       LEU  16  -1.854  -2.277   3.094
  124    HG   LEU  16           HG       LEU  16  -0.089  -2.077   4.991
  125   1HD1  LEU  16          HD11      LEU  16  -0.881  -0.581   6.845
  126   2HD1  LEU  16          HD12      LEU  16  -2.046   0.122   5.724
  127   3HD1  LEU  16          HD13      LEU  16  -0.317   0.303   5.428
  128   1HD2  LEU  16          HD21      LEU  16  -3.060  -2.248   5.597
  129   2HD2  LEU  16          HD22      LEU  16  -1.778  -2.821   6.664
  130   3HD2  LEU  16          HD23      LEU  16  -2.025  -3.584   5.093
  131    H    SER  17           HN       SER  17  -0.593  -2.724   1.135
  132    HA   SER  17           HA       SER  17   1.619  -4.383   1.983
  133   1HB   SER  17          HB2       SER  17  -0.467  -5.094   0.754
  134   2HB   SER  17          HB1       SER  17   0.149  -4.273  -0.676
  135    HG   SER  17           HG       SER  17   1.755  -5.732  -0.834
  136    H    ASP  18           HN       ASP  18   1.172  -1.943  -0.567
  137    HA   ASP  18           HA       ASP  18   3.711  -2.295  -1.875
  138   1HB   ASP  18          HB2       ASP  18   1.726  -1.124  -2.808
  139   2HB   ASP  18          HB1       ASP  18   1.913   0.139  -1.593
  140    H    PHE  19           HN       PHE  19   2.619  -0.141   0.767
  141    HA   PHE  19           HA       PHE  19   4.842   1.497   1.158
  142   1HB   PHE  19          HB2       PHE  19   2.526   0.819   2.503
  143   2HB   PHE  19          HB1       PHE  19   3.774   0.270   3.619
  144    HD1  PHE  19           HD1      PHE  19   5.748   1.943   4.057
  145    HD2  PHE  19           HD2      PHE  19   1.912   3.081   2.493
  146    HE1  PHE  19           HE1      PHE  19   6.153   4.283   4.768
  147    HE2  PHE  19           HE2      PHE  19   2.318   5.422   3.205
  148    HZ   PHE  19           HZ       PHE  19   4.437   6.023   4.342
  149    H    LYS  20           HN       LYS  20   4.397  -1.816   2.442
  150    HA   LYS  20           HA       LYS  20   6.943  -2.031   3.748
  151   1HB   LYS  20          HB2       LYS  20   4.879  -3.474   4.014
  152   2HB   LYS  20          HB1       LYS  20   5.266  -4.212   2.459
  153   1HG   LYS  20          HG2       LYS  20   7.646  -4.235   4.034
  154   2HG   LYS  20          HG1       LYS  20   6.335  -4.848   5.042
  155   1HD   LYS  20          HD2       LYS  20   5.779  -6.151   2.732
  156   2HD   LYS  20          HD1       LYS  20   7.531  -6.009   2.584
  157   1HE   LYS  20          HE2       LYS  20   7.428  -7.974   3.818
  158   2HE   LYS  20          HE1       LYS  20   7.401  -6.812   5.158
  159   1HZ   LYS  20          HZ1       LYS  20   4.879  -6.764   4.704
  160   2HZ   LYS  20          HZ2       LYS  20   5.521  -8.088   5.555
  161   3HZ   LYS  20          HZ3       LYS  20   5.138  -8.239   3.906
  162    H    THR  21           HN       THR  21   5.871  -3.058   0.480
  163    HA   THR  21           HA       THR  21   8.446  -4.077  -0.349
  164    HB   THR  21           HB       THR  21   6.198  -2.991  -2.074
  165    HG1  THR  21           HG1      THR  21   5.003  -4.536  -1.343
  166   1HG2  THR  21          HG21      THR  21   7.728  -5.488  -2.655
  167   2HG2  THR  21          HG22      THR  21   8.553  -3.948  -2.898
  168   3HG2  THR  21          HG23      THR  21   7.059  -4.293  -3.768
  169    H    TRP  22           HN       TRP  22   6.871  -0.900  -0.590
  170    HA   TRP  22           HA       TRP  22   8.625   0.417  -2.395
  171   1HB   TRP  22          HB2       TRP  22   6.428   1.156  -1.254
  172   2HB   TRP  22          HB1       TRP  22   7.429   1.619   0.116
  173    HD1  TRP  22           HD1      TRP  22   6.739   2.514  -3.534
  174    HE1  TRP  22           HE1      TRP  22   7.724   4.848  -4.012
  175    HE3  TRP  22           HE3      TRP  22   9.228   3.338   0.850
  176    HZ2  TRP  22           HZ2      TRP  22   9.353   6.806  -2.708
  177    HZ3  TRP  22           HZ3      TRP  22  10.485   5.444   1.204
  178    HH2  TRP  22           HH2      TRP  22  10.550   7.177  -0.566
  179    H    LEU  23           HN       LEU  23   8.800   0.114   1.155
  180    HA   LEU  23           HA       LEU  23  11.268   1.527   1.532
  181   1HB   LEU  23          HB2       LEU  23   9.438  -0.240   3.015
  182   2HB   LEU  23          HB1       LEU  23  11.113  -0.371   3.548
  183    HG   LEU  23           HG       LEU  23  11.063   2.247   3.502
  184   1HD1  LEU  23          HD11      LEU  23   8.133   1.741   4.025
  185   2HD1  LEU  23          HD12      LEU  23   8.719   2.134   2.409
  186   3HD1  LEU  23          HD13      LEU  23   8.946   3.278   3.731
  187   1HD2  LEU  23          HD21      LEU  23   9.561   0.634   5.591
  188   2HD2  LEU  23          HD22      LEU  23  10.221   2.251   5.837
  189   3HD2  LEU  23          HD23      LEU  23  11.304   0.892   5.543
  190    H    LYS  24           HN       LYS  24  10.590  -1.965   1.068
  191    HA   LYS  24           HA       LYS  24  13.331  -2.842   1.264
  192   1HB   LYS  24          HB2       LYS  24  11.024  -4.097   1.340
  193   2HB   LYS  24          HB1       LYS  24  11.210  -4.177  -0.412
  194   1HG   LYS  24          HG2       LYS  24  13.581  -5.096   0.077
  195   2HG   LYS  24          HG1       LYS  24  12.988  -5.366   1.717
  196   1HD   LYS  24          HD2       LYS  24  11.376  -6.927   1.015
  197   2HD   LYS  24          HD1       LYS  24  11.413  -6.355  -0.653
  198   1HE   LYS  24          HE2       LYS  24  14.036  -7.310   0.263
  199   2HE   LYS  24          HE1       LYS  24  12.788  -8.571   0.290
  200   1HZ   LYS  24          HZ1       LYS  24  13.149  -6.720  -2.001
  201   2HZ   LYS  24          HZ2       LYS  24  12.228  -8.146  -1.948
  202   3HZ   LYS  24          HZ3       LYS  24  13.924  -8.226  -1.917
  203    H    ALA  25           HN       ALA  25  11.273  -1.908  -1.503
  204    HA   ALA  25           HA       ALA  25  13.215  -2.494  -3.559
  205   1HB   ALA  25          HB1       ALA  25  10.812  -2.291  -3.967
  206   2HB   ALA  25          HB2       ALA  25  11.660  -1.062  -4.908
  207   3HB   ALA  25          HB3       ALA  25  10.834  -0.615  -3.415
  208    H    LYS  26           HN       LYS  26  12.634   0.309  -1.483
  209    HA   LYS  26           HA       LYS  26  14.270   2.171  -3.005
  210   1HB   LYS  26          HB2       LYS  26  12.886   2.032  -0.358
  211   2HB   LYS  26          HB1       LYS  26  14.133   3.262  -0.561
  212   1HG   LYS  26          HG2       LYS  26  12.331   3.097  -2.866
  213   2HG   LYS  26          HG1       LYS  26  11.487   3.500  -1.369
  214   1HD   LYS  26          HD2       LYS  26  12.149   5.615  -2.077
  215   2HD   LYS  26          HD1       LYS  26  13.503   5.173  -1.039
  216   1HE   LYS  26          HE2       LYS  26  13.953   4.143  -3.710
  217   2HE   LYS  26          HE1       LYS  26  13.639   5.888  -3.771
  218   1HZ   LYS  26          HZ1       LYS  26  15.582   4.505  -1.992
  219   2HZ   LYS  26          HZ2       LYS  26  15.214   6.164  -1.916
  220   3HZ   LYS  26          HZ3       LYS  26  15.961   5.519  -3.299
  221    H    LEU  27           HN       LEU  27  14.855   0.060  -0.170
  222    HA   LEU  27           HA       LEU  27  17.768   0.211  -0.689
  223   1HB   LEU  27          HB2       LEU  27  17.117   2.173   0.738
  224   2HB   LEU  27          HB1       LEU  27  16.540   1.041   1.960
  225    HG   LEU  27           HG       LEU  27  19.037   0.048   1.501
  226   1HD1  LEU  27          HD11      LEU  27  20.609   1.889   1.311
  227   2HD1  LEU  27          HD12      LEU  27  19.294   3.063   1.309
  228   3HD1  LEU  27          HD13      LEU  27  19.497   1.965  -0.056
  229   1HD2  LEU  27          HD21      LEU  27  18.187   2.244   3.417
  230   2HD2  LEU  27          HD22      LEU  27  19.687   1.327   3.572
  231   3HD2  LEU  27          HD23      LEU  27  18.133   0.504   3.707
  232    H    MET  28           HN       MET  28  18.344  -1.906  -0.624
  233    HA   MET  28           HA       MET  28  18.082  -3.563   1.696
  234   1HB   MET  28          HB2       MET  28  15.744  -3.686   1.199
  235   2HB   MET  28          HB1       MET  28  16.045  -3.926  -0.517
  236   1HG   MET  28          HG2       MET  28  15.830  -6.141  -0.081
  237   2HG   MET  28          HG1       MET  28  17.430  -6.027   0.652
  238   1HE   MET  28          HE1       MET  28  17.253  -7.839   1.935
  239   2HE   MET  28          HE2       MET  28  15.588  -8.415   1.922
  240   3HE   MET  28          HE3       MET  28  16.373  -8.047   3.456
  241    HA   PRO  29           HA       PRO  29  19.773  -6.263  -1.882
  242   1HB   PRO  29          HB2       PRO  29  19.666  -5.301  -4.441
  243   2HB   PRO  29          HB1       PRO  29  18.369  -6.268  -3.714
  244   1HG   PRO  29          HG2       PRO  29  18.545  -3.325  -4.108
  245   2HG   PRO  29          HG1       PRO  29  17.150  -4.405  -4.268
  246   1HD   PRO  29          HD2       PRO  29  17.580  -2.808  -2.100
  247   2HD   PRO  29          HD1       PRO  29  16.674  -4.335  -2.036
  248    H    GLN  30           HN       GLN  30  21.663  -5.933  -3.685
  249    HA   GLN  30           HA       GLN  30  23.533  -3.975  -2.489
  250   1HB   GLN  30          HB2       GLN  30  23.756  -6.209  -4.532
  251   2HB   GLN  30          HB1       GLN  30  25.128  -5.218  -4.034
  252   1HG   GLN  30          HG2       GLN  30  24.886  -5.940  -1.729
  253   2HG   GLN  30          HG1       GLN  30  23.398  -6.805  -2.114
  254   1HE2  GLN  30          HE21      GLN  30  23.648  -8.657  -3.743
  255   2HE2  GLN  30          HE22      GLN  30  25.112  -9.514  -3.752
  256    H    LEU  31           HN       LEU  31  22.735  -1.957  -3.318
  257    HA   LEU  31           HA       LEU  31  23.170  -1.571  -6.262
  258   1HB   LEU  31          HB2       LEU  31  20.766  -1.730  -5.645
  259   2HB   LEU  31          HB1       LEU  31  20.985  -0.407  -4.501
  260    HG   LEU  31           HG       LEU  31  22.010   0.273  -7.146
  261   1HD1  LEU  31          HD11      LEU  31  20.206  -1.253  -7.878
  262   2HD1  LEU  31          HD12      LEU  31  19.816   0.424  -8.261
  263   3HD1  LEU  31          HD13      LEU  31  19.054  -0.365  -6.880
  264   1HD2  LEU  31          HD21      LEU  31  19.997   1.415  -5.194
  265   2HD2  LEU  31          HD22      LEU  31  20.369   2.195  -6.731
  266   3HD2  LEU  31          HD23      LEU  31  21.633   1.986  -5.519
  Start of MODEL   20
    1   1H    SER   1           HT1      SER   1 -20.478   4.584   0.966
    2   2H    SER   1           HT2      SER   1 -20.342   6.201   1.468
    3   3H    SER   1           HT3      SER   1 -19.346   5.607   0.226
    4    HA   SER   1           HA       SER   1 -22.237   6.240   0.132
    5   1HB   SER   1          HB2       SER   1 -21.320   7.401  -1.953
    6   2HB   SER   1          HB1       SER   1 -20.736   8.028  -0.415
    7    HG   SER   1           HG       SER   1 -19.250   7.287  -2.349
    8    H    GLY   2           HN       GLY   2 -19.659   4.711  -1.872
    9   1HA   GLY   2          HA2       GLY   2 -21.198   2.376  -2.485
   10   2HA   GLY   2          HA1       GLY   2 -21.394   3.547  -3.789
   11    H    SER   3           HN       SER   3 -20.007   3.158  -5.435
   12    HA   SER   3           HA       SER   3 -17.748   1.428  -5.321
   13   1HB   SER   3          HB2       SER   3 -17.233   2.635  -7.540
   14   2HB   SER   3          HB1       SER   3 -18.804   1.852  -7.409
   15    HG   SER   3           HG       SER   3 -19.265   3.861  -8.113
   16    H    TRP   4           HN       TRP   4 -17.992   4.934  -4.905
   17    HA   TRP   4           HA       TRP   4 -15.257   5.667  -5.037
   18   1HB   TRP   4          HB2       TRP   4 -17.424   7.061  -4.777
   19   2HB   TRP   4          HB1       TRP   4 -17.252   6.769  -3.046
   20    HD1  TRP   4           HD1      TRP   4 -15.809   8.757  -5.906
   21    HE1  TRP   4           HE1      TRP   4 -14.021  10.381  -5.007
   22    HE3  TRP   4           HE3      TRP   4 -15.387   7.044  -1.112
   23    HZ2  TRP   4           HZ2      TRP   4 -12.602  10.889  -2.578
   24    HZ3  TRP   4           HZ3      TRP   4 -13.812   8.116   0.471
   25    HH2  TRP   4           HH2      TRP   4 -12.420  10.034  -0.255
   26    H    LEU   5           HN       LEU   5 -17.161   4.575  -2.203
   27    HA   LEU   5           HA       LEU   5 -14.810   4.535  -0.446
   28   1HB   LEU   5          HB2       LEU   5 -17.526   4.775  -0.136
   29   2HB   LEU   5          HB1       LEU   5 -17.280   3.087   0.311
   30    HG   LEU   5           HG       LEU   5 -15.518   5.259   1.440
   31   1HD1  LEU   5          HD11      LEU   5 -18.164   4.283   2.561
   32   2HD1  LEU   5          HD12      LEU   5 -17.847   5.899   1.931
   33   3HD1  LEU   5          HD13      LEU   5 -17.031   5.347   3.393
   34   1HD2  LEU   5          HD21      LEU   5 -15.560   3.503   3.351
   35   2HD2  LEU   5          HD22      LEU   5 -14.656   3.104   1.891
   36   3HD2  LEU   5          HD23      LEU   5 -16.260   2.419   2.149
   37    H    ARG   6           HN       ARG   6 -16.706   2.171  -2.310
   38    HA   ARG   6           HA       ARG   6 -15.653  -0.230  -1.167
   39   1HB   ARG   6          HB2       ARG   6 -17.629   0.079  -2.718
   40   2HB   ARG   6          HB1       ARG   6 -16.482   0.289  -4.040
   41   1HG   ARG   6          HG2       ARG   6 -15.810  -2.074  -2.508
   42   2HG   ARG   6          HG1       ARG   6 -17.492  -2.148  -3.034
   43   1HD   ARG   6          HD2       ARG   6 -16.576  -2.944  -4.985
   44   2HD   ARG   6          HD1       ARG   6 -16.272  -1.228  -5.316
   45    HE   ARG   6           HE       ARG   6 -14.183  -2.400  -3.665
   46   1HH1  ARG   6          HH21      ARG   6 -14.273  -0.439  -6.158
   47   2HH1  ARG   6          HH22      ARG   6 -13.220  -1.309  -7.225
   48   1HH2  ARG   6          HH11      ARG   6 -13.300  -4.231  -5.341
   49   2HH2  ARG   6          HH12      ARG   6 -12.671  -3.466  -6.763
   50    H    ASP   7           HN       ASP   7 -14.571   1.627  -4.044
   51    HA   ASP   7           HA       ASP   7 -12.312  -0.076  -4.615
   52   1HB   ASP   7          HB2       ASP   7 -13.680   1.913  -5.882
   53   2HB   ASP   7          HB1       ASP   7 -12.233   2.789  -5.385
   54    H    ILE   8           HN       ILE   8 -12.694   2.880  -2.658
   55    HA   ILE   8           HA       ILE   8  -9.904   3.374  -2.208
   56    HB   ILE   8           HB       ILE   8 -12.308   4.601  -1.679
   57   1HG1  ILE   8          HG12      ILE   8 -10.083   5.603  -0.026
   58   2HG1  ILE   8          HG11      ILE   8  -9.648   5.276  -1.704
   59   1HG2  ILE   8          HG21      ILE   8 -12.618   3.194   0.360
   60   2HG2  ILE   8          HG22      ILE   8 -12.500   4.914   0.730
   61   3HG2  ILE   8          HG23      ILE   8 -11.117   3.854   1.008
   62   1HD1  ILE   8          HD11      ILE   8 -11.649   7.227  -0.610
   63   2HD1  ILE   8          HD12      ILE   8 -11.897   6.555  -2.221
   64   3HD1  ILE   8          HD13      ILE   8 -10.430   7.465  -1.862
   65    H    TRP   9           HN       TRP   9 -12.231   1.256  -0.547
   66    HA   TRP   9           HA       TRP   9 -10.623   0.668   1.765
   67   1HB   TRP   9          HB2       TRP   9 -13.159   0.137   0.883
   68   2HB   TRP   9          HB1       TRP   9 -12.398  -1.439   0.669
   69    HD1  TRP   9           HD1      TRP   9 -12.798  -2.882   2.712
   70    HE1  TRP   9           HE1      TRP   9 -12.837  -2.513   5.263
   71    HE3  TRP   9           HE3      TRP   9 -11.963   2.155   2.895
   72    HZ2  TRP   9           HZ2      TRP   9 -12.557  -0.368   7.134
   73    HZ3  TRP   9           HZ3      TRP   9 -11.857   3.333   5.070
   74    HH2  TRP   9           HH2      TRP   9 -12.151   2.079   7.190
   75    H    ASP  10           HN       ASP  10 -11.113  -1.225  -1.256
   76    HA   ASP  10           HA       ASP  10  -9.172  -3.250  -0.710
   77   1HB   ASP  10          HB2       ASP  10 -10.949  -3.286  -2.469
   78   2HB   ASP  10          HB1       ASP  10 -10.051  -2.064  -3.368
   79    H    TRP  11           HN       TRP  11  -8.869  -0.078  -2.328
   80    HA   TRP  11           HA       TRP  11  -6.105  -0.355  -3.098
   81   1HB   TRP  11          HB2       TRP  11  -7.695   1.286  -4.039
   82   2HB   TRP  11          HB1       TRP  11  -7.817   2.077  -2.468
   83    HD1  TRP  11           HD1      TRP  11  -5.378   1.505  -5.359
   84    HE1  TRP  11           HE1      TRP  11  -3.494   3.259  -5.207
   85    HE3  TRP  11           HE3      TRP  11  -6.531   3.652  -0.872
   86    HZ2  TRP  11           HZ2      TRP  11  -2.597   5.304  -3.419
   87    HZ3  TRP  11           HZ3      TRP  11  -5.148   5.499   0.032
   88    HH2  TRP  11           HH2      TRP  11  -3.183   6.326  -1.234
   89    H    ILE  12           HN       ILE  12  -7.704   0.918  -0.172
   90    HA   ILE  12           HA       ILE  12  -5.387   1.963   1.144
   91    HB   ILE  12           HB       ILE  12  -8.125   0.982   1.893
   92   1HG1  ILE  12          HG12      ILE  12  -6.674   3.559   2.555
   93   2HG1  ILE  12          HG11      ILE  12  -7.557   3.314   1.049
   94   1HG2  ILE  12          HG21      ILE  12  -6.911   0.086   3.755
   95   2HG2  ILE  12          HG22      ILE  12  -7.590   1.618   4.300
   96   3HG2  ILE  12          HG23      ILE  12  -5.885   1.517   3.859
   97   1HD1  ILE  12          HD11      ILE  12  -8.647   3.357   3.866
   98   2HD1  ILE  12          HD12      ILE  12  -9.558   2.652   2.531
   99   3HD1  ILE  12          HD13      ILE  12  -9.123   4.361   2.495
  100    H    CYS  13           HN       CYS  13  -6.789  -1.311   1.031
  101    HA   CYS  13           HA       CYS  13  -4.978  -2.513   2.944
  102   1HB   CYS  13          HB2       CYS  13  -7.260  -3.310   2.040
  103   2HB   CYS  13          HB1       CYS  13  -6.375  -3.862   0.617
  104    HG   CYS  13           HG       CYS  13  -6.612  -5.606   2.830
  105    H    GLU  14           HN       GLU  14  -4.914  -2.039  -0.585
  106    HA   GLU  14           HA       GLU  14  -2.621  -3.658  -1.169
  107   1HB   GLU  14          HB2       GLU  14  -4.174  -1.424  -2.404
  108   2HB   GLU  14          HB1       GLU  14  -2.601  -1.803  -3.097
  109   1HG   GLU  14          HG2       GLU  14  -3.314  -4.198  -3.278
  110   2HG   GLU  14          HG1       GLU  14  -4.922  -3.715  -2.730
  111    H    VAL  15           HN       VAL  15  -2.980  -0.201  -0.422
  112    HA   VAL  15           HA       VAL  15  -0.227   0.551  -0.665
  113    HB   VAL  15           HB       VAL  15  -2.506   1.618   1.041
  114   1HG1  VAL  15          HG11      VAL  15  -0.606   2.620   1.989
  115   2HG1  VAL  15          HG12      VAL  15  -1.070   3.784   0.749
  116   3HG1  VAL  15          HG13      VAL  15   0.257   2.662   0.451
  117   1HG2  VAL  15          HG21      VAL  15  -2.237   1.524  -1.724
  118   2HG2  VAL  15          HG22      VAL  15  -1.640   3.134  -1.317
  119   3HG2  VAL  15          HG23      VAL  15  -3.264   2.647  -0.831
  120    H    LEU  16           HN       LEU  16  -2.097  -0.790   2.052
  121    HA   LEU  16           HA       LEU  16  -0.156  -0.450   4.124
  122   1HB   LEU  16          HB2       LEU  16  -2.669  -1.187   4.105
  123   2HB   LEU  16          HB1       LEU  16  -2.019  -2.812   3.891
  124    HG   LEU  16           HG       LEU  16  -0.512  -2.269   5.923
  125   1HD1  LEU  16          HD11      LEU  16  -2.524  -0.020   5.988
  126   2HD1  LEU  16          HD12      LEU  16  -0.773   0.066   6.185
  127   3HD1  LEU  16          HD13      LEU  16  -1.773  -0.614   7.468
  128   1HD2  LEU  16          HD21      LEU  16  -3.520  -2.508   6.264
  129   2HD2  LEU  16          HD22      LEU  16  -2.321  -2.907   7.492
  130   3HD2  LEU  16          HD23      LEU  16  -2.404  -3.848   6.003
  131    H    SER  17           HN       SER  17  -0.538  -2.954   1.634
  132    HA   SER  17           HA       SER  17   1.682  -4.565   2.760
  133   1HB   SER  17          HB2       SER  17  -0.649  -5.027   1.244
  134   2HB   SER  17          HB1       SER  17   0.689  -5.342   0.141
  135    HG   SER  17           HG       SER  17   0.954  -7.137   1.188
  136    H    ASP  18           HN       ASP  18   0.982  -2.477  -0.044
  137    HA   ASP  18           HA       ASP  18   3.458  -2.983  -1.444
  138   1HB   ASP  18          HB2       ASP  18   1.326  -2.028  -2.380
  139   2HB   ASP  18          HB1       ASP  18   1.665  -0.536  -1.502
  140    H    PHE  19           HN       PHE  19   2.524  -0.695   1.113
  141    HA   PHE  19           HA       PHE  19   4.587   1.204   1.010
  142   1HB   PHE  19          HB2       PHE  19   2.586   0.412   2.771
  143   2HB   PHE  19          HB1       PHE  19   4.058   0.152   3.702
  144    HD1  PHE  19           HD1      PHE  19   1.887   2.639   2.119
  145    HD2  PHE  19           HD2      PHE  19   5.618   2.017   4.153
  146    HE1  PHE  19           HE1      PHE  19   2.079   5.080   2.515
  147    HE2  PHE  19           HE2      PHE  19   5.810   4.457   4.549
  148    HZ   PHE  19           HZ       PHE  19   4.040   5.988   3.731
  149    H    LYS  20           HN       LYS  20   4.676  -2.042   2.492
  150    HA   LYS  20           HA       LYS  20   7.353  -1.949   3.501
  151   1HB   LYS  20          HB2       LYS  20   5.560  -3.604   4.059
  152   2HB   LYS  20          HB1       LYS  20   5.734  -4.295   2.445
  153   1HG   LYS  20          HG2       LYS  20   8.239  -4.569   3.051
  154   2HG   LYS  20          HG1       LYS  20   7.719  -4.315   4.717
  155   1HD   LYS  20          HD2       LYS  20   5.881  -6.162   3.713
  156   2HD   LYS  20          HD1       LYS  20   7.424  -6.678   3.032
  157   1HE   LYS  20          HE2       LYS  20   7.415  -7.778   5.116
  158   2HE   LYS  20          HE1       LYS  20   8.310  -6.293   5.495
  159   1HZ   LYS  20          HZ1       LYS  20   6.245  -5.248   6.174
  160   2HZ   LYS  20          HZ2       LYS  20   6.492  -6.669   7.071
  161   3HZ   LYS  20          HZ3       LYS  20   5.369  -6.652   5.796
  162    H    THR  21           HN       THR  21   6.062  -3.117   0.363
  163    HA   THR  21           HA       THR  21   8.652  -3.878  -0.702
  164    HB   THR  21           HB       THR  21   6.238  -3.101  -2.343
  165    HG1  THR  21           HG1      THR  21   5.091  -4.490  -1.291
  166   1HG2  THR  21          HG21      THR  21   8.569  -4.104  -3.137
  167   2HG2  THR  21          HG22      THR  21   7.056  -4.621  -3.880
  168   3HG2  THR  21          HG23      THR  21   7.818  -5.621  -2.644
  169    H    TRP  22           HN       TRP  22   6.609  -0.964  -0.983
  170    HA   TRP  22           HA       TRP  22   8.086   0.479  -2.929
  171   1HB   TRP  22          HB2       TRP  22   5.846   0.913  -1.601
  172   2HB   TRP  22          HB1       TRP  22   6.898   1.776  -0.485
  173    HD1  TRP  22           HD1      TRP  22   5.688   1.845  -4.119
  174    HE1  TRP  22           HE1      TRP  22   6.126   4.196  -5.085
  175    HE3  TRP  22           HE3      TRP  22   8.322   3.907  -0.260
  176    HZ2  TRP  22           HZ2      TRP  22   7.421   6.630  -4.320
  177    HZ3  TRP  22           HZ3      TRP  22   9.144   6.242  -0.405
  178    HH2  TRP  22           HH2      TRP  22   8.697   7.604  -2.428
  179    H    LEU  23           HN       LEU  23   8.450   0.419   0.622
  180    HA   LEU  23           HA       LEU  23  10.711   2.203   0.748
  181   1HB   LEU  23          HB2       LEU  23   9.203   0.348   2.492
  182   2HB   LEU  23          HB1       LEU  23  10.876   0.618   2.980
  183    HG   LEU  23           HG       LEU  23   9.515   3.091   2.187
  184   1HD1  LEU  23          HD11      LEU  23   7.525   2.512   3.164
  185   2HD1  LEU  23          HD12      LEU  23   8.392   2.938   4.639
  186   3HD1  LEU  23          HD13      LEU  23   8.255   1.247   4.152
  187   1HD2  LEU  23          HD21      LEU  23  10.642   3.941   4.107
  188   2HD2  LEU  23          HD22      LEU  23  11.734   2.729   3.437
  189   3HD2  LEU  23          HD23      LEU  23  10.747   2.344   4.846
  190    H    LYS  24           HN       LYS  24  10.465  -1.370   0.557
  191    HA   LYS  24           HA       LYS  24  13.312  -1.846   0.828
  192   1HB   LYS  24          HB2       LYS  24  11.334  -3.429   1.211
  193   2HB   LYS  24          HB1       LYS  24  11.243  -3.584  -0.544
  194   1HG   LYS  24          HG2       LYS  24  12.621  -5.388   0.064
  195   2HG   LYS  24          HG1       LYS  24  13.785  -4.144  -0.393
  196   1HD   LYS  24          HD2       LYS  24  13.461  -3.535   2.229
  197   2HD   LYS  24          HD1       LYS  24  13.177  -5.274   2.285
  198   1HE   LYS  24          HE2       LYS  24  15.558  -4.173   0.784
  199   2HE   LYS  24          HE1       LYS  24  15.637  -4.445   2.536
  200   1HZ   LYS  24          HZ1       LYS  24  14.775  -6.461   0.524
  201   2HZ   LYS  24          HZ2       LYS  24  14.886  -6.710   2.202
  202   3HZ   LYS  24          HZ3       LYS  24  16.290  -6.433   1.287
  203    H    ALA  25           HN       ALA  25  11.112  -1.631  -1.989
  204    HA   ALA  25           HA       ALA  25  13.054  -2.186  -4.019
  205   1HB   ALA  25          HB1       ALA  25  10.600  -2.223  -4.309
  206   2HB   ALA  25          HB2       ALA  25  11.347  -1.138  -5.481
  207   3HB   ALA  25          HB3       ALA  25  10.542  -0.479  -4.057
  208    H    LYS  26           HN       LYS  26  12.041   0.880  -2.486
  209    HA   LYS  26           HA       LYS  26  13.533   2.658  -4.168
  210   1HB   LYS  26          HB2       LYS  26  11.700   3.067  -2.371
  211   2HB   LYS  26          HB1       LYS  26  13.032   3.051  -1.214
  212   1HG   LYS  26          HG2       LYS  26  14.164   4.791  -2.710
  213   2HG   LYS  26          HG1       LYS  26  12.613   4.942  -3.538
  214   1HD   LYS  26          HD2       LYS  26  11.524   5.498  -1.386
  215   2HD   LYS  26          HD1       LYS  26  13.083   5.369  -0.571
  216   1HE   LYS  26          HE2       LYS  26  13.004   7.671  -0.975
  217   2HE   LYS  26          HE1       LYS  26  13.819   7.118  -2.451
  218   1HZ   LYS  26          HZ1       LYS  26  11.676   6.938  -3.544
  219   2HZ   LYS  26          HZ2       LYS  26  11.898   8.520  -2.966
  220   3HZ   LYS  26          HZ3       LYS  26  10.880   7.445  -2.134
  221    H    LEU  27           HN       LEU  27  14.426   0.839  -1.242
  222    HA   LEU  27           HA       LEU  27  17.068   2.036  -0.974
  223   1HB   LEU  27          HB2       LEU  27  15.518   0.863   0.755
  224   2HB   LEU  27          HB1       LEU  27  16.159  -0.641   0.095
  225    HG   LEU  27           HG       LEU  27  18.148   1.459   0.804
  226   1HD1  LEU  27          HD11      LEU  27  18.115   0.809   3.180
  227   2HD1  LEU  27          HD12      LEU  27  16.708  -0.214   2.886
  228   3HD1  LEU  27          HD13      LEU  27  16.577   1.537   2.713
  229   1HD2  LEU  27          HD21      LEU  27  19.556  -0.337   0.885
  230   2HD2  LEU  27          HD22      LEU  27  18.273  -1.150  -0.011
  231   3HD2  LEU  27          HD23      LEU  27  18.382  -1.338   1.739
  232    H    MET  28           HN       MET  28  15.743  -0.826  -2.608
  233    HA   MET  28           HA       MET  28  18.406  -1.913  -3.251
  234   1HB   MET  28          HB2       MET  28  15.538  -2.623  -3.915
  235   2HB   MET  28          HB1       MET  28  16.906  -3.536  -4.552
  236   1HG   MET  28          HG2       MET  28  17.692  -3.810  -2.146
  237   2HG   MET  28          HG1       MET  28  16.128  -3.163  -1.651
  238   1HE   MET  28          HE1       MET  28  14.101  -4.814  -4.128
  239   2HE   MET  28          HE2       MET  28  14.094  -3.772  -2.708
  240   3HE   MET  28          HE3       MET  28  13.515  -5.431  -2.577
  241    HA   PRO  29           HA       PRO  29  18.472   0.695  -6.917
  242   1HB   PRO  29          HB2       PRO  29  21.048   0.113  -7.625
  243   2HB   PRO  29          HB1       PRO  29  20.634   1.273  -6.351
  244   1HG   PRO  29          HG2       PRO  29  21.587  -1.527  -6.125
  245   2HG   PRO  29          HG1       PRO  29  21.926  -0.131  -5.091
  246   1HD   PRO  29          HD2       PRO  29  20.134  -2.134  -4.483
  247   2HD   PRO  29          HD1       PRO  29  20.095  -0.497  -3.795
  248    H    GLN  30           HN       GLN  30  19.479   0.135  -9.262
  249    HA   GLN  30           HA       GLN  30  19.152  -1.156 -11.213
  250   1HB   GLN  30          HB2       GLN  30  20.103  -3.142  -9.129
  251   2HB   GLN  30          HB1       GLN  30  19.936  -3.566 -10.831
  252   1HG   GLN  30          HG2       GLN  30  21.336  -1.195 -10.963
  253   2HG   GLN  30          HG1       GLN  30  21.991  -1.932  -9.502
  254   1HE2  GLN  30          HE21      GLN  30  21.873  -2.172 -12.997
  255   2HE2  GLN  30          HE22      GLN  30  22.903  -3.515 -13.132
  256    H    LEU  31           HN       LEU  31  16.721  -0.612  -9.948
  257    HA   LEU  31           HA       LEU  31  14.482  -1.328  -9.865
  258   1HB   LEU  31          HB2       LEU  31  15.432  -2.056 -12.196
  259   2HB   LEU  31          HB1       LEU  31  15.364  -3.686 -11.527
  260    HG   LEU  31           HG       LEU  31  12.908  -2.853 -10.822
  261   1HD1  LEU  31          HD11      LEU  31  11.954  -1.511 -12.674
  262   2HD1  LEU  31          HD12      LEU  31  13.565  -1.342 -13.372
  263   3HD1  LEU  31          HD13      LEU  31  13.200  -0.615 -11.805
  264   1HD2  LEU  31          HD21      LEU  31  12.089  -3.977 -12.874
  265   2HD2  LEU  31          HD22      LEU  31  13.438  -4.857 -12.155
  266   3HD2  LEU  31          HD23      LEU  31  13.701  -3.849 -13.579
  Start of MODEL   21
    1   1H    SER   1           HT1      SER   1 -25.893   7.953  -7.541
    2   2H    SER   1           HT2      SER   1 -26.770   6.815  -8.450
    3   3H    SER   1           HT3      SER   1 -25.080   6.903  -8.597
    4    HA   SER   1           HA       SER   1 -26.652   5.933  -6.266
    5   1HB   SER   1          HB2       SER   1 -24.500   4.691  -8.011
    6   2HB   SER   1          HB1       SER   1 -25.456   3.867  -6.783
    7    HG   SER   1           HG       SER   1 -26.229   3.615  -8.976
    8    H    GLY   2           HN       GLY   2 -23.273   6.408  -7.426
    9   1HA   GLY   2          HA2       GLY   2 -21.546   7.544  -6.197
   10   2HA   GLY   2          HA1       GLY   2 -22.548   7.449  -4.747
   11    H    SER   3           HN       SER   3 -20.636   5.428  -6.978
   12    HA   SER   3           HA       SER   3 -20.297   3.428  -4.769
   13   1HB   SER   3          HB2       SER   3 -19.576   1.995  -6.792
   14   2HB   SER   3          HB1       SER   3 -21.277   2.439  -6.700
   15    HG   SER   3           HG       SER   3 -19.308   3.224  -8.479
   16    H    TRP   4           HN       TRP   4 -18.726   5.658  -4.432
   17    HA   TRP   4           HA       TRP   4 -16.040   4.928  -5.549
   18   1HB   TRP   4          HB2       TRP   4 -17.538   7.345  -5.312
   19   2HB   TRP   4          HB1       TRP   4 -16.138   7.493  -4.252
   20    HD1  TRP   4           HD1      TRP   4 -17.150   7.495  -7.854
   21    HE1  TRP   4           HE1      TRP   4 -15.069   7.798  -9.349
   22    HE3  TRP   4           HE3      TRP   4 -13.467   6.857  -4.377
   23    HZ2  TRP   4           HZ2      TRP   4 -12.220   7.770  -9.099
   24    HZ3  TRP   4           HZ3      TRP   4 -11.082   7.001  -5.031
   25    HH2  TRP   4           HH2      TRP   4 -10.453   7.456  -7.385
   26    H    LEU   5           HN       LEU   5 -17.181   3.513  -3.271
   27    HA   LEU   5           HA       LEU   5 -15.371   4.462  -1.069
   28   1HB   LEU   5          HB2       LEU   5 -18.065   4.375  -1.006
   29   2HB   LEU   5          HB1       LEU   5 -17.725   2.712  -0.522
   30    HG   LEU   5           HG       LEU   5 -16.161   4.894   0.797
   31   1HD1  LEU   5          HD11      LEU   5 -18.002   5.105   2.500
   32   2HD1  LEU   5          HD12      LEU   5 -19.060   4.232   1.391
   33   3HD1  LEU   5          HD13      LEU   5 -18.403   5.802   0.929
   34   1HD2  LEU   5          HD21      LEU   5 -17.455   2.375   1.885
   35   2HD2  LEU   5          HD22      LEU   5 -16.197   3.344   2.652
   36   3HD2  LEU   5          HD23      LEU   5 -15.831   2.415   1.198
   37    H    ARG   6           HN       ARG   6 -16.883   1.553  -2.529
   38    HA   ARG   6           HA       ARG   6 -15.357  -0.419  -1.143
   39   1HB   ARG   6          HB2       ARG   6 -17.447  -0.531  -2.716
   40   2HB   ARG   6          HB1       ARG   6 -16.258  -0.677  -4.011
   41   1HG   ARG   6          HG2       ARG   6 -15.769  -2.432  -1.681
   42   2HG   ARG   6          HG1       ARG   6 -17.238  -2.797  -2.589
   43   1HD   ARG   6          HD2       ARG   6 -15.984  -3.041  -4.654
   44   2HD   ARG   6          HD1       ARG   6 -14.499  -2.467  -3.869
   45    HE   ARG   6           HE       ARG   6 -15.903  -4.978  -3.024
   46   1HH1  ARG   6          HH21      ARG   6 -13.565  -3.444  -1.564
   47   2HH1  ARG   6          HH22      ARG   6 -12.245  -4.493  -1.964
   48   1HH2  ARG   6          HH11      ARG   6 -13.995  -6.190  -4.436
   49   2HH2  ARG   6          HH12      ARG   6 -12.489  -6.049  -3.590
   50    H    ASP   7           HN       ASP   7 -14.674   1.355  -4.165
   51    HA   ASP   7           HA       ASP   7 -12.287  -0.111  -4.857
   52   1HB   ASP   7          HB2       ASP   7 -11.979   1.734  -6.446
   53   2HB   ASP   7          HB1       ASP   7 -13.679   1.273  -6.398
   54    H    ILE   8           HN       ILE   8 -12.886   2.649  -2.718
   55    HA   ILE   8           HA       ILE   8 -10.068   3.399  -2.475
   56    HB   ILE   8           HB       ILE   8 -12.637   4.055  -1.009
   57   1HG1  ILE   8          HG12      ILE   8 -10.763   5.692  -2.753
   58   2HG1  ILE   8          HG11      ILE   8 -12.303   5.010  -3.274
   59   1HG2  ILE   8          HG21      ILE   8  -9.811   4.984  -0.427
   60   2HG2  ILE   8          HG22      ILE   8 -10.945   4.224   0.690
   61   3HG2  ILE   8          HG23      ILE   8 -11.240   5.864   0.115
   62   1HD1  ILE   8          HD11      ILE   8 -13.386   6.319  -1.374
   63   2HD1  ILE   8          HD12      ILE   8 -12.745   7.294  -2.696
   64   3HD1  ILE   8          HD13      ILE   8 -11.845   7.155  -1.187
   65    H    TRP   9           HN       TRP   9 -12.386   1.545  -0.466
   66    HA   TRP   9           HA       TRP   9 -10.763   1.068   1.799
   67   1HB   TRP   9          HB2       TRP   9 -13.127   0.528   1.698
   68   2HB   TRP   9          HB1       TRP   9 -12.853  -0.627   0.394
   69    HD1  TRP   9           HD1      TRP   9 -12.539  -3.043   1.106
   70    HE1  TRP   9           HE1      TRP   9 -11.960  -4.261   3.302
   71    HE3  TRP   9           HE3      TRP   9 -11.627   0.972   4.130
   72    HZ2  TRP   9           HZ2      TRP   9 -11.209  -3.619   5.987
   73    HZ3  TRP   9           HZ3      TRP   9 -10.982   0.639   6.500
   74    HH2  TRP   9           HH2      TRP   9 -10.772  -1.648   7.431
   75    H    ASP  10           HN       ASP  10 -11.140  -1.078  -1.067
   76    HA   ASP  10           HA       ASP  10  -9.169  -2.996  -0.321
   77   1HB   ASP  10          HB2       ASP  10 -10.985  -2.670  -2.330
   78   2HB   ASP  10          HB1       ASP  10  -9.487  -2.342  -3.200
   79    H    TRP  11           HN       TRP  11  -8.868   0.048  -2.171
   80    HA   TRP  11           HA       TRP  11  -6.134  -0.214  -2.956
   81   1HB   TRP  11          HB2       TRP  11  -7.651   1.464  -3.871
   82   2HB   TRP  11          HB1       TRP  11  -7.866   2.189  -2.278
   83    HD1  TRP  11           HD1      TRP  11  -5.118   1.618  -4.921
   84    HE1  TRP  11           HE1      TRP  11  -3.355   3.481  -4.667
   85    HE3  TRP  11           HE3      TRP  11  -6.933   3.995  -0.782
   86    HZ2  TRP  11           HZ2      TRP  11  -2.789   5.690  -2.939
   87    HZ3  TRP  11           HZ3      TRP  11  -5.764   5.973   0.146
   88    HH2  TRP  11           HH2      TRP  11  -3.696   6.823  -0.927
   89    H    ILE  12           HN       ILE  12  -7.598   1.164   0.006
   90    HA   ILE  12           HA       ILE  12  -5.213   2.108   1.256
   91    HB   ILE  12           HB       ILE  12  -7.838   0.993   2.304
   92   1HG1  ILE  12          HG12      ILE  12  -6.914   3.858   2.384
   93   2HG1  ILE  12          HG11      ILE  12  -7.599   3.194   0.900
   94   1HG2  ILE  12          HG21      ILE  12  -7.079   2.425   4.378
   95   2HG2  ILE  12          HG22      ILE  12  -5.457   2.119   3.756
   96   3HG2  ILE  12          HG23      ILE  12  -6.497   0.768   4.206
   97   1HD1  ILE  12          HD11      ILE  12  -9.436   4.146   2.098
   98   2HD1  ILE  12          HD12      ILE  12  -8.920   3.404   3.613
   99   3HD1  ILE  12          HD13      ILE  12  -9.567   2.402   2.314
  100    H    CYS  13           HN       CYS  13  -6.707  -1.123   1.179
  101    HA   CYS  13           HA       CYS  13  -4.899  -2.372   3.064
  102   1HB   CYS  13          HB2       CYS  13  -7.234  -3.080   2.167
  103   2HB   CYS  13          HB1       CYS  13  -6.351  -3.725   0.783
  104    HG   CYS  13           HG       CYS  13  -6.560  -5.089   3.435
  105    H    GLU  14           HN       GLU  14  -4.930  -2.026  -0.496
  106    HA   GLU  14           HA       GLU  14  -2.653  -3.691  -1.036
  107   1HB   GLU  14          HB2       GLU  14  -4.466  -1.870  -2.389
  108   2HB   GLU  14          HB1       GLU  14  -2.819  -1.651  -2.972
  109   1HG   GLU  14          HG2       GLU  14  -3.514  -3.384  -4.352
  110   2HG   GLU  14          HG1       GLU  14  -2.827  -4.304  -3.013
  111    H    VAL  15           HN       VAL  15  -2.982  -0.215  -0.375
  112    HA   VAL  15           HA       VAL  15  -0.242   0.527  -0.821
  113    HB   VAL  15           HB       VAL  15  -2.447   1.647   0.946
  114   1HG1  VAL  15          HG11      VAL  15  -0.970   3.793   0.589
  115   2HG1  VAL  15          HG12      VAL  15   0.330   2.630   0.334
  116   3HG1  VAL  15          HG13      VAL  15  -0.545   2.653   1.865
  117   1HG2  VAL  15          HG21      VAL  15  -1.551   3.081  -1.474
  118   2HG2  VAL  15          HG22      VAL  15  -3.187   2.746  -0.906
  119   3HG2  VAL  15          HG23      VAL  15  -2.293   1.514  -1.795
  120    H    LEU  16           HN       LEU  16  -1.962  -0.712   2.043
  121    HA   LEU  16           HA       LEU  16   0.141  -0.358   3.962
  122   1HB   LEU  16          HB2       LEU  16  -2.314  -0.898   4.331
  123   2HB   LEU  16          HB1       LEU  16  -1.957  -2.550   3.828
  124    HG   LEU  16           HG       LEU  16  -0.012  -1.749   5.784
  125   1HD1  LEU  16          HD11      LEU  16  -1.484  -1.367   7.710
  126   2HD1  LEU  16          HD12      LEU  16  -2.900  -1.434   6.662
  127   3HD1  LEU  16          HD13      LEU  16  -1.742  -0.114   6.496
  128   1HD2  LEU  16          HD21      LEU  16  -0.875  -4.059   5.159
  129   2HD2  LEU  16          HD22      LEU  16  -2.330  -3.681   6.082
  130   3HD2  LEU  16          HD23      LEU  16  -0.765  -3.750   6.891
  131    H    SER  17           HN       SER  17  -0.660  -3.051   1.753
  132    HA   SER  17           HA       SER  17   1.525  -4.760   2.670
  133   1HB   SER  17          HB2       SER  17  -0.687  -5.437   1.587
  134   2HB   SER  17          HB1       SER  17  -0.032  -4.842   0.065
  135    HG   SER  17           HG       SER  17   1.678  -6.338   0.308
  136    H    ASP  18           HN       ASP  18   0.983  -2.545  -0.075
  137    HA   ASP  18           HA       ASP  18   3.468  -3.087  -1.435
  138   1HB   ASP  18          HB2       ASP  18   1.286  -1.948  -2.232
  139   2HB   ASP  18          HB1       ASP  18   1.926  -0.487  -1.477
  140    H    PHE  19           HN       PHE  19   2.592  -0.906   1.220
  141    HA   PHE  19           HA       PHE  19   4.690   0.949   1.236
  142   1HB   PHE  19          HB2       PHE  19   2.696  -0.028   2.970
  143   2HB   PHE  19          HB1       PHE  19   4.200  -0.187   3.872
  144    HD1  PHE  19           HD1      PHE  19   5.326   1.717   4.745
  145    HD2  PHE  19           HD2      PHE  19   2.102   2.220   1.952
  146    HE1  PHE  19           HE1      PHE  19   5.324   4.158   5.185
  147    HE2  PHE  19           HE2      PHE  19   2.101   4.659   2.391
  148    HZ   PHE  19           HZ       PHE  19   3.712   5.629   4.008
  149    H    LYS  20           HN       LYS  20   4.747  -2.437   2.360
  150    HA   LYS  20           HA       LYS  20   7.419  -2.407   3.435
  151   1HB   LYS  20          HB2       LYS  20   5.600  -4.079   3.876
  152   2HB   LYS  20          HB1       LYS  20   5.819  -4.693   2.237
  153   1HG   LYS  20          HG2       LYS  20   7.555  -5.959   2.907
  154   2HG   LYS  20          HG1       LYS  20   8.386  -4.531   3.525
  155   1HD   LYS  20          HD2       LYS  20   8.140  -5.689   5.505
  156   2HD   LYS  20          HD1       LYS  20   6.606  -4.819   5.502
  157   1HE   LYS  20          HE2       LYS  20   5.692  -6.883   4.188
  158   2HE   LYS  20          HE1       LYS  20   7.128  -7.712   4.820
  159   1HZ   LYS  20          HZ1       LYS  20   6.520  -6.892   7.051
  160   2HZ   LYS  20          HZ2       LYS  20   5.343  -7.929   6.400
  161   3HZ   LYS  20          HZ3       LYS  20   5.084  -6.250   6.412
  162    H    THR  21           HN       THR  21   6.147  -3.414   0.228
  163    HA   THR  21           HA       THR  21   8.795  -4.037  -0.828
  164    HB   THR  21           HB       THR  21   7.391  -4.061  -3.003
  165    HG1  THR  21           HG1      THR  21   5.168  -3.956  -2.669
  166   1HG2  THR  21          HG21      THR  21   6.089  -6.096  -2.186
  167   2HG2  THR  21          HG22      THR  21   6.726  -5.741  -0.580
  168   3HG2  THR  21          HG23      THR  21   7.829  -6.131  -1.900
  169    H    TRP  22           HN       TRP  22   6.528  -1.299  -1.170
  170    HA   TRP  22           HA       TRP  22   7.907   0.261  -3.082
  171   1HB   TRP  22          HB2       TRP  22   5.631   0.564  -1.903
  172   2HB   TRP  22          HB1       TRP  22   6.535   1.336  -0.607
  173    HD1  TRP  22           HD1      TRP  22   5.533   1.800  -4.259
  174    HE1  TRP  22           HE1      TRP  22   5.971   4.252  -4.934
  175    HE3  TRP  22           HE3      TRP  22   7.966   3.443  -0.083
  176    HZ2  TRP  22           HZ2      TRP  22   7.192   6.598  -3.841
  177    HZ3  TRP  22           HZ3      TRP  22   8.754   5.786   0.076
  178    HH2  TRP  22           HH2      TRP  22   8.370   7.365  -1.796
  179    H    LEU  23           HN       LEU  23   8.170   0.461   0.487
  180    HA   LEU  23           HA       LEU  23  10.393   2.298   0.494
  181   1HB   LEU  23          HB2       LEU  23   8.939   0.534   2.414
  182   2HB   LEU  23          HB1       LEU  23  10.534   1.102   2.905
  183    HG   LEU  23           HG       LEU  23   9.531   3.423   1.977
  184   1HD1  LEU  23          HD11      LEU  23   7.350   2.187   1.462
  185   2HD1  LEU  23          HD12      LEU  23   7.198   3.655   2.426
  186   3HD1  LEU  23          HD13      LEU  23   7.118   2.076   3.207
  187   1HD2  LEU  23          HD21      LEU  23  10.475   3.055   4.219
  188   2HD2  LEU  23          HD22      LEU  23   8.997   2.231   4.719
  189   3HD2  LEU  23          HD23      LEU  23   8.961   3.952   4.336
  190    H    LYS  24           HN       LYS  24  10.196  -1.252   0.389
  191    HA   LYS  24           HA       LYS  24  12.978  -1.749   1.008
  192   1HB   LYS  24          HB2       LYS  24  11.218  -3.440   1.217
  193   2HB   LYS  24          HB1       LYS  24  10.869  -3.326  -0.506
  194   1HG   LYS  24          HG2       LYS  24  12.252  -5.195  -0.462
  195   2HG   LYS  24          HG1       LYS  24  13.428  -3.919  -0.760
  196   1HD   LYS  24          HD2       LYS  24  12.764  -4.610   2.079
  197   2HD   LYS  24          HD1       LYS  24  13.810  -5.703   1.176
  198   1HE   LYS  24          HE2       LYS  24  14.306  -2.714   1.469
  199   2HE   LYS  24          HE1       LYS  24  15.120  -3.970   2.417
  200   1HZ   LYS  24          HZ1       LYS  24  16.524  -3.631   0.596
  201   2HZ   LYS  24          HZ2       LYS  24  15.238  -3.511  -0.506
  202   3HZ   LYS  24          HZ3       LYS  24  15.646  -5.018   0.168
  203    H    ALA  25           HN       ALA  25  11.193  -1.081  -1.986
  204    HA   ALA  25           HA       ALA  25  13.389  -1.703  -3.789
  205   1HB   ALA  25          HB1       ALA  25  10.887  -1.648  -4.263
  206   2HB   ALA  25          HB2       ALA  25  11.885  -0.803  -5.446
  207   3HB   ALA  25          HB3       ALA  25  11.000   0.112  -4.226
  208    H    LYS  26           HN       LYS  26  12.042   1.362  -2.482
  209    HA   LYS  26           HA       LYS  26  13.988   3.055  -3.796
  210   1HB   LYS  26          HB2       LYS  26  12.885   4.782  -2.622
  211   2HB   LYS  26          HB1       LYS  26  11.634   3.555  -2.797
  212   1HG   LYS  26          HG2       LYS  26  12.111   2.735  -0.520
  213   2HG   LYS  26          HG1       LYS  26  13.375   3.952  -0.341
  214   1HD   LYS  26          HD2       LYS  26  10.802   5.071  -1.211
  215   2HD   LYS  26          HD1       LYS  26  10.724   4.294   0.369
  216   1HE   LYS  26          HE2       LYS  26  11.435   6.410   1.023
  217   2HE   LYS  26          HE1       LYS  26  13.016   5.665   0.718
  218   1HZ   LYS  26          HZ1       LYS  26  11.427   7.083  -1.357
  219   2HZ   LYS  26          HZ2       LYS  26  13.019   6.507  -1.500
  220   3HZ   LYS  26          HZ3       LYS  26  12.675   7.811  -0.470
  221    H    LEU  27           HN       LEU  27  13.959   1.287  -0.744
  222    HA   LEU  27           HA       LEU  27  16.576   2.535   0.019
  223   1HB   LEU  27          HB2       LEU  27  14.380   2.444   1.473
  224   2HB   LEU  27          HB1       LEU  27  14.879   0.783   1.784
  225    HG   LEU  27           HG       LEU  27  17.232   2.169   2.153
  226   1HD1  LEU  27          HD11      LEU  27  14.894   3.881   3.011
  227   2HD1  LEU  27          HD12      LEU  27  16.296   4.355   2.053
  228   3HD1  LEU  27          HD13      LEU  27  16.479   4.013   3.773
  229   1HD2  LEU  27          HD21      LEU  27  15.088   1.488   4.193
  230   2HD2  LEU  27          HD22      LEU  27  16.776   1.821   4.579
  231   3HD2  LEU  27          HD23      LEU  27  16.355   0.406   3.615
  232    H    MET  28           HN       MET  28  17.086   0.876  -1.942
  233    HA   MET  28           HA       MET  28  17.760  -1.785  -0.727
  234   1HB   MET  28          HB2       MET  28  16.089  -1.481  -2.716
  235   2HB   MET  28          HB1       MET  28  17.540  -1.198  -3.677
  236   1HG   MET  28          HG2       MET  28  18.095  -3.389  -3.665
  237   2HG   MET  28          HG1       MET  28  17.798  -3.533  -1.932
  238   1HE   MET  28          HE1       MET  28  15.949  -3.175  -5.443
  239   2HE   MET  28          HE2       MET  28  15.243  -4.789  -5.405
  240   3HE   MET  28          HE3       MET  28  16.986  -4.593  -5.231
  241    HA   PRO  29           HA       PRO  29  21.895  -0.144  -1.362
  242   1HB   PRO  29          HB2       PRO  29  23.204  -2.191  -0.107
  243   2HB   PRO  29          HB1       PRO  29  22.409  -0.871   0.767
  244   1HG   PRO  29          HG2       PRO  29  21.486  -3.653   0.293
  245   2HG   PRO  29          HG1       PRO  29  21.272  -2.618   1.713
  246   1HD   PRO  29          HD2       PRO  29  19.325  -3.090  -0.165
  247   2HD   PRO  29          HD1       PRO  29  19.383  -1.653   0.880
  248    H    GLN  30           HN       GLN  30  24.039  -1.403  -2.105
  249    HA   GLN  30           HA       GLN  30  23.276  -3.333  -4.279
  250   1HB   GLN  30          HB2       GLN  30  23.875  -0.841  -4.798
  251   2HB   GLN  30          HB1       GLN  30  25.532  -1.335  -4.445
  252   1HG   GLN  30          HG2       GLN  30  24.542  -3.347  -6.126
  253   2HG   GLN  30          HG1       GLN  30  23.930  -1.847  -6.821
  254   1HE2  GLN  30          HE21      GLN  30  27.030  -3.068  -5.396
  255   2HE2  GLN  30          HE22      GLN  30  28.018  -2.298  -6.543
  256    H    LEU  31           HN       LEU  31  24.190  -4.078  -1.626
  257    HA   LEU  31           HA       LEU  31  25.805  -5.426  -0.565
  258   1HB   LEU  31          HB2       LEU  31  26.107  -6.009  -3.520
  259   2HB   LEU  31          HB1       LEU  31  27.032  -6.895  -2.309
  260    HG   LEU  31           HG       LEU  31  24.025  -6.630  -2.143
  261   1HD1  LEU  31          HD11      LEU  31  25.631  -8.859  -3.434
  262   2HD1  LEU  31          HD12      LEU  31  24.627  -7.695  -4.298
  263   3HD1  LEU  31          HD13      LEU  31  23.884  -8.851  -3.193
  264   1HD2  LEU  31          HD21      LEU  31  25.188  -7.305  -0.091
  265   2HD2  LEU  31          HD22      LEU  31  26.046  -8.570  -0.971
  266   3HD2  LEU  31          HD23      LEU  31  24.301  -8.679  -0.752
  Start of MODEL   22
    1   1H    SER   1           HT1      SER   1 -21.694  13.065  -2.117
    2   2H    SER   1           HT2      SER   1 -22.984  12.238  -2.852
    3   3H    SER   1           HT3      SER   1 -21.382  11.754  -3.146
    4    HA   SER   1           HA       SER   1 -21.178  11.229  -0.713
    5   1HB   SER   1          HB2       SER   1 -23.450  11.028   0.397
    6   2HB   SER   1          HB1       SER   1 -22.958  12.680   0.038
    7    HG   SER   1           HG       SER   1 -25.176  11.886  -0.604
    8    H    GLY   2           HN       GLY   2 -22.088   9.025   0.079
    9   1HA   GLY   2          HA2       GLY   2 -23.571   7.102  -0.851
   10   2HA   GLY   2          HA1       GLY   2 -22.609   7.313  -2.314
   11    H    SER   3           HN       SER   3 -22.075   4.969  -1.841
   12    HA   SER   3           HA       SER   3 -20.260   4.461   0.429
   13   1HB   SER   3          HB2       SER   3 -22.076   2.963  -0.868
   14   2HB   SER   3          HB1       SER   3 -20.660   2.537  -1.824
   15    HG   SER   3           HG       SER   3 -21.154   1.275   0.175
   16    H    TRP   4           HN       TRP   4 -18.512   5.939  -0.168
   17    HA   TRP   4           HA       TRP   4 -16.982   5.193  -2.629
   18   1HB   TRP   4          HB2       TRP   4 -17.859   7.592  -1.857
   19   2HB   TRP   4          HB1       TRP   4 -16.370   7.571  -0.911
   20    HD1  TRP   4           HD1      TRP   4 -17.004   6.209  -4.474
   21    HE1  TRP   4           HE1      TRP   4 -15.296   7.294  -6.063
   22    HE3  TRP   4           HE3      TRP   4 -14.667   9.382  -1.225
   23    HZ2  TRP   4           HZ2      TRP   4 -13.211   9.253  -5.974
   24    HZ3  TRP   4           HZ3      TRP   4 -12.826  10.845  -2.004
   25    HH2  TRP   4           HH2      TRP   4 -12.095  10.785  -4.372
   26    H    LEU   5           HN       LEU   5 -16.580   5.781   0.880
   27    HA   LEU   5           HA       LEU   5 -13.796   5.277   1.094
   28   1HB   LEU   5          HB2       LEU   5 -15.469   6.180   2.803
   29   2HB   LEU   5          HB1       LEU   5 -15.925   4.503   3.104
   30    HG   LEU   5           HG       LEU   5 -13.460   4.033   3.540
   31   1HD1  LEU   5          HD11      LEU   5 -13.409   7.063   3.466
   32   2HD1  LEU   5          HD12      LEU   5 -12.453   5.954   2.482
   33   3HD1  LEU   5          HD13      LEU   5 -12.145   6.086   4.213
   34   1HD2  LEU   5          HD21      LEU   5 -13.551   4.979   5.830
   35   2HD2  LEU   5          HD22      LEU   5 -15.098   4.273   5.365
   36   3HD2  LEU   5          HD23      LEU   5 -14.883   6.024   5.337
   37    H    ARG   6           HN       ARG   6 -16.535   2.958   1.315
   38    HA   ARG   6           HA       ARG   6 -15.004   0.623   1.899
   39   1HB   ARG   6          HB2       ARG   6 -17.535   1.001   1.921
   40   2HB   ARG   6          HB1       ARG   6 -17.492   0.770   0.172
   41   1HG   ARG   6          HG2       ARG   6 -17.260  -1.473   0.372
   42   2HG   ARG   6          HG1       ARG   6 -16.020  -1.311   1.615
   43   1HD   ARG   6          HD2       ARG   6 -18.028  -0.640   3.171
   44   2HD   ARG   6          HD1       ARG   6 -19.011  -1.460   1.944
   45    HE   ARG   6           HE       ARG   6 -17.367  -2.806   3.850
   46   1HH1  ARG   6          HH11      ARG   6 -19.248  -3.436   1.215
   47   2HH1  ARG   6          HH12      ARG   6 -18.342  -4.789   0.629
   48   1HH2  ARG   6          HH21      ARG   6 -15.665  -4.269   2.782
   49   2HH2  ARG   6          HH22      ARG   6 -16.312  -5.269   1.524
   50    H    ASP   7           HN       ASP   7 -15.647   2.288  -1.159
   51    HA   ASP   7           HA       ASP   7 -14.596   0.189  -2.881
   52   1HB   ASP   7          HB2       ASP   7 -16.198   2.257  -3.290
   53   2HB   ASP   7          HB1       ASP   7 -14.683   3.114  -3.580
   54    H    ILE   8           HN       ILE   8 -13.279   3.139  -1.380
   55    HA   ILE   8           HA       ILE   8 -10.675   2.924  -2.690
   56    HB   ILE   8           HB       ILE   8 -11.639   4.502  -0.277
   57   1HG1  ILE   8          HG12      ILE   8 -11.241   5.633  -3.034
   58   2HG1  ILE   8          HG11      ILE   8 -12.734   4.766  -2.673
   59   1HG2  ILE   8          HG21      ILE   8  -9.125   4.558  -1.934
   60   2HG2  ILE   8          HG22      ILE   8  -9.298   4.625  -0.180
   61   3HG2  ILE   8          HG23      ILE   8  -9.708   6.032  -1.160
   62   1HD1  ILE   8          HD11      ILE   8 -11.814   6.824  -0.710
   63   2HD1  ILE   8          HD12      ILE   8 -13.454   6.352  -1.156
   64   3HD1  ILE   8          HD13      ILE   8 -12.512   7.389  -2.228
   65    H    TRP   9           HN       TRP   9 -12.081   1.826   0.377
   66    HA   TRP   9           HA       TRP   9  -9.783   1.291   1.911
   67   1HB   TRP   9          HB2       TRP   9 -12.097   1.061   2.694
   68   2HB   TRP   9          HB1       TRP   9 -12.352  -0.299   1.602
   69    HD1  TRP   9           HD1      TRP   9 -12.486  -2.361   3.101
   70    HE1  TRP   9           HE1      TRP   9 -11.017  -3.380   4.958
   71    HE3  TRP   9           HE3      TRP   9  -9.039   1.371   3.657
   72    HZ2  TRP   9           HZ2      TRP   9  -8.691  -2.705   6.478
   73    HZ3  TRP   9           HZ3      TRP   9  -7.211   1.155   5.314
   74    HH2  TRP   9           HH2      TRP   9  -7.031  -0.877   6.724
   75    H    ASP  10           HN       ASP  10 -11.332  -0.889  -0.499
   76    HA   ASP  10           HA       ASP  10  -9.510  -3.066  -0.241
   77   1HB   ASP  10          HB2       ASP  10 -11.709  -3.012  -1.460
   78   2HB   ASP  10          HB1       ASP  10 -10.936  -2.066  -2.732
   79    H    TRP  11           HN       TRP  11  -9.386  -0.153  -2.310
   80    HA   TRP  11           HA       TRP  11  -6.942  -0.840  -3.686
   81   1HB   TRP  11          HB2       TRP  11  -8.626   0.847  -4.418
   82   2HB   TRP  11          HB1       TRP  11  -8.191   1.856  -3.039
   83    HD1  TRP  11           HD1      TRP  11  -6.702   0.439  -6.283
   84    HE1  TRP  11           HE1      TRP  11  -4.723   1.931  -6.993
   85    HE3  TRP  11           HE3      TRP  11  -6.474   3.571  -2.259
   86    HZ2  TRP  11           HZ2      TRP  11  -3.240   4.162  -5.988
   87    HZ3  TRP  11           HZ3      TRP  11  -4.770   5.370  -2.159
   88    HH2  TRP  11           HH2      TRP  11  -3.154   5.667  -4.017
   89    H    ILE  12           HN       ILE  12  -7.640   0.960  -0.681
   90    HA   ILE  12           HA       ILE  12  -5.012   1.933  -0.133
   91    HB   ILE  12           HB       ILE  12  -7.376   1.094   1.574
   92   1HG1  ILE  12          HG12      ILE  12  -6.227   3.856   1.131
   93   2HG1  ILE  12          HG11      ILE  12  -7.383   3.146   0.004
   94   1HG2  ILE  12          HG21      ILE  12  -6.083   2.588   3.319
   95   2HG2  ILE  12          HG22      ILE  12  -4.662   2.094   2.398
   96   3HG2  ILE  12          HG23      ILE  12  -5.682   0.877   3.166
   97   1HD1  ILE  12          HD11      ILE  12  -9.100   3.080   1.610
   98   2HD1  ILE  12          HD12      ILE  12  -8.299   4.614   1.952
   99   3HD1  ILE  12          HD13      ILE  12  -7.970   3.203   2.959
  100    H    CYS  13           HN       CYS  13  -6.537  -1.221   0.477
  101    HA   CYS  13           HA       CYS  13  -4.357  -2.331   2.038
  102   1HB   CYS  13          HB2       CYS  13  -6.754  -3.077   2.021
  103   2HB   CYS  13          HB1       CYS  13  -6.516  -3.685   0.382
  104    HG   CYS  13           HG       CYS  13  -4.915  -5.489   1.284
  105    H    GLU  14           HN       GLU  14  -5.221  -2.356  -1.431
  106    HA   GLU  14           HA       GLU  14  -3.230  -4.227  -2.305
  107   1HB   GLU  14          HB2       GLU  14  -5.219  -2.447  -3.384
  108   2HB   GLU  14          HB1       GLU  14  -3.726  -2.260  -4.302
  109   1HG   GLU  14          HG2       GLU  14  -4.583  -5.043  -3.653
  110   2HG   GLU  14          HG1       GLU  14  -5.513  -4.178  -4.875
  111    H    VAL  15           HN       VAL  15  -3.179  -0.712  -1.857
  112    HA   VAL  15           HA       VAL  15  -0.520  -0.290  -2.936
  113    HB   VAL  15           HB       VAL  15  -2.270   1.295  -1.021
  114   1HG1  VAL  15          HG11      VAL  15  -0.709   3.146  -2.236
  115   2HG1  VAL  15          HG12      VAL  15   0.425   1.796  -2.173
  116   3HG1  VAL  15          HG13      VAL  15  -0.298   2.413  -0.686
  117   1HG2  VAL  15          HG21      VAL  15  -2.095   2.549  -3.528
  118   2HG2  VAL  15          HG22      VAL  15  -3.483   1.667  -2.890
  119   3HG2  VAL  15          HG23      VAL  15  -2.296   0.836  -3.896
  120    H    LEU  16           HN       LEU  16  -1.809  -1.049   0.282
  121    HA   LEU  16           HA       LEU  16   0.469  -0.509   1.890
  122   1HB   LEU  16          HB2       LEU  16  -1.860  -1.113   2.620
  123   2HB   LEU  16          HB1       LEU  16  -1.539  -2.776   2.133
  124    HG   LEU  16           HG       LEU  16   0.646  -1.983   3.759
  125   1HD1  LEU  16          HD11      LEU  16  -0.942  -0.163   4.527
  126   2HD1  LEU  16          HD12      LEU  16  -0.387  -1.244   5.805
  127   3HD1  LEU  16          HD13      LEU  16  -2.004  -1.438   5.127
  128   1HD2  LEU  16          HD21      LEU  16  -1.716  -3.659   4.634
  129   2HD2  LEU  16          HD22      LEU  16  -0.019  -3.854   5.074
  130   3HD2  LEU  16          HD23      LEU  16  -0.555  -4.238   3.438
  131    H    SER  17           HN       SER  17  -0.343  -3.368  -0.086
  132    HA   SER  17           HA       SER  17   1.772  -5.094   0.774
  133   1HB   SER  17          HB2       SER  17   0.375  -4.785  -1.909
  134   2HB   SER  17          HB1       SER  17   1.329  -6.185  -1.430
  135    HG   SER  17           HG       SER  17  -0.643  -6.769  -0.808
  136    H    ASP  18           HN       ASP  18   1.615  -2.723  -1.908
  137    HA   ASP  18           HA       ASP  18   4.348  -3.119  -2.782
  138   1HB   ASP  18          HB2       ASP  18   2.667  -2.171  -4.257
  139   2HB   ASP  18          HB1       ASP  18   2.312  -0.887  -3.103
  140    H    PHE  19           HN       PHE  19   2.745  -0.746  -0.639
  141    HA   PHE  19           HA       PHE  19   4.893   0.976  -0.065
  142   1HB   PHE  19          HB2       PHE  19   2.307   0.396   0.892
  143   2HB   PHE  19          HB1       PHE  19   3.355   0.287   2.303
  144    HD1  PHE  19           HD1      PHE  19   3.649   2.257   3.500
  145    HD2  PHE  19           HD2      PHE  19   3.031   2.467  -0.746
  146    HE1  PHE  19           HE1      PHE  19   3.773   4.731   3.604
  147    HE2  PHE  19           HE2      PHE  19   3.155   4.941  -0.642
  148    HZ   PHE  19           HZ       PHE  19   3.526   6.073   1.533
  149    H    LYS  20           HN       LYS  20   4.134  -2.204   1.367
  150    HA   LYS  20           HA       LYS  20   6.124  -2.278   3.398
  151   1HB   LYS  20          HB2       LYS  20   4.202  -3.872   2.955
  152   2HB   LYS  20          HB1       LYS  20   5.163  -4.564   1.647
  153   1HG   LYS  20          HG2       LYS  20   6.957  -5.117   3.247
  154   2HG   LYS  20          HG1       LYS  20   6.006  -4.418   4.557
  155   1HD   LYS  20          HD2       LYS  20   4.171  -6.068   3.970
  156   2HD   LYS  20          HD1       LYS  20   5.325  -6.851   2.890
  157   1HE   LYS  20          HE2       LYS  20   6.898  -6.948   4.954
  158   2HE   LYS  20          HE1       LYS  20   5.432  -6.629   5.902
  159   1HZ   LYS  20          HZ1       LYS  20   4.349  -8.476   4.726
  160   2HZ   LYS  20          HZ2       LYS  20   5.703  -8.998   5.609
  161   3HZ   LYS  20          HZ3       LYS  20   5.804  -8.820   3.924
  162    H    THR  21           HN       THR  21   6.309  -3.225  -0.054
  163    HA   THR  21           HA       THR  21   9.153  -3.942   0.126
  164    HB   THR  21           HB       THR  21   7.572  -3.379  -2.390
  165    HG1  THR  21           HG1      THR  21   6.218  -4.858  -1.817
  166   1HG2  THR  21          HG21      THR  21   9.954  -3.990  -2.591
  167   2HG2  THR  21          HG22      THR  21   8.917  -5.255  -3.249
  168   3HG2  THR  21          HG23      THR  21   9.654  -5.458  -1.660
  169    H    TRP  22           HN       TRP  22   7.220  -1.186  -1.033
  170    HA   TRP  22           HA       TRP  22   9.236   0.358  -2.299
  171   1HB   TRP  22          HB2       TRP  22   6.649   0.645  -1.989
  172   2HB   TRP  22          HB1       TRP  22   7.087   1.522  -0.529
  173    HD1  TRP  22           HD1      TRP  22   7.445   1.671  -4.336
  174    HE1  TRP  22           HE1      TRP  22   8.079   4.078  -5.009
  175    HE3  TRP  22           HE3      TRP  22   8.165   3.718   0.286
  176    HZ2  TRP  22           HZ2      TRP  22   8.796   6.546  -3.751
  177    HZ3  TRP  22           HZ3      TRP  22   8.821   6.096   0.519
  178    HH2  TRP  22           HH2      TRP  22   9.138   7.512  -1.492
  179    H    LEU  23           HN       LEU  23   8.154   0.421   1.109
  180    HA   LEU  23           HA       LEU  23  10.110   2.305   2.048
  181   1HB   LEU  23          HB2       LEU  23   8.339   0.191   3.268
  182   2HB   LEU  23          HB1       LEU  23   9.479   1.078   4.278
  183    HG   LEU  23           HG       LEU  23   7.590   2.532   2.428
  184   1HD1  LEU  23          HD11      LEU  23   6.438   0.907   4.109
  185   2HD1  LEU  23          HD12      LEU  23   5.896   2.584   4.059
  186   3HD1  LEU  23          HD13      LEU  23   6.982   2.047   5.340
  187   1HD2  LEU  23          HD21      LEU  23   8.949   3.285   5.038
  188   2HD2  LEU  23          HD22      LEU  23   7.961   4.354   4.042
  189   3HD2  LEU  23          HD23      LEU  23   9.504   3.757   3.432
  190    H    LYS  24           HN       LYS  24  10.175  -1.246   1.712
  191    HA   LYS  24           HA       LYS  24  12.607  -1.702   3.194
  192   1HB   LYS  24          HB2       LYS  24  10.775  -3.333   2.414
  193   2HB   LYS  24          HB1       LYS  24  11.567  -3.295   0.838
  194   1HG   LYS  24          HG2       LYS  24  13.586  -3.681   2.827
  195   2HG   LYS  24          HG1       LYS  24  12.288  -4.833   3.140
  196   1HD   LYS  24          HD2       LYS  24  12.893  -6.079   1.365
  197   2HD   LYS  24          HD1       LYS  24  12.802  -4.675   0.299
  198   1HE   LYS  24          HE2       LYS  24  15.084  -4.014   0.905
  199   2HE   LYS  24          HE1       LYS  24  15.182  -5.351   2.069
  200   1HZ   LYS  24          HZ1       LYS  24  14.635  -5.667  -0.838
  201   2HZ   LYS  24          HZ2       LYS  24  14.811  -6.921   0.295
  202   3HZ   LYS  24          HZ3       LYS  24  16.140  -5.941  -0.105
  203    H    ALA  25           HN       ALA  25  11.942  -0.851  -0.190
  204    HA   ALA  25           HA       ALA  25  14.650  -1.251  -1.157
  205   1HB   ALA  25          HB1       ALA  25  12.154   0.173  -2.082
  206   2HB   ALA  25          HB2       ALA  25  12.910  -1.270  -2.758
  207   3HB   ALA  25          HB3       ALA  25  13.654   0.311  -2.998
  208    H    LYS  26           HN       LYS  26  12.876   1.480   0.257
  209    HA   LYS  26           HA       LYS  26  15.004   3.429  -0.271
  210   1HB   LYS  26          HB2       LYS  26  12.474   3.796  -0.124
  211   2HB   LYS  26          HB1       LYS  26  12.642   3.607   1.621
  212   1HG   LYS  26          HG2       LYS  26  14.665   5.421   0.802
  213   2HG   LYS  26          HG1       LYS  26  13.175   5.929   0.010
  214   1HD   LYS  26          HD2       LYS  26  13.351   5.293   2.967
  215   2HD   LYS  26          HD1       LYS  26  13.534   6.920   2.315
  216   1HE   LYS  26          HE2       LYS  26  11.107   5.266   1.600
  217   2HE   LYS  26          HE1       LYS  26  11.156   6.194   3.111
  218   1HZ   LYS  26          HZ1       LYS  26  11.742   7.303   0.412
  219   2HZ   LYS  26          HZ2       LYS  26  11.713   8.176   1.871
  220   3HZ   LYS  26          HZ3       LYS  26  10.280   7.512   1.245
  221    H    LEU  27           HN       LEU  27  13.656   1.865   2.675
  222    HA   LEU  27           HA       LEU  27  16.006   2.794   4.247
  223   1HB   LEU  27          HB2       LEU  27  13.380   2.766   4.795
  224   2HB   LEU  27          HB1       LEU  27  13.780   1.151   5.379
  225    HG   LEU  27           HG       LEU  27  15.818   2.533   6.485
  226   1HD1  LEU  27          HD11      LEU  27  14.594   4.628   5.435
  227   2HD1  LEU  27          HD12      LEU  27  15.290   4.727   7.052
  228   3HD1  LEU  27          HD13      LEU  27  13.557   4.471   6.854
  229   1HD2  LEU  27          HD21      LEU  27  14.173   2.779   8.509
  230   2HD2  LEU  27          HD22      LEU  27  14.528   1.167   7.889
  231   3HD2  LEU  27          HD23      LEU  27  13.021   1.969   7.446
  232    H    MET  28           HN       MET  28  17.588   1.384   4.948
  233    HA   MET  28           HA       MET  28  17.196  -1.492   5.132
  234   1HB   MET  28          HB2       MET  28  17.281  -1.353   2.734
  235   2HB   MET  28          HB1       MET  28  18.684  -0.293   2.780
  236   1HG   MET  28          HG2       MET  28  20.124  -2.039   3.485
  237   2HG   MET  28          HG1       MET  28  18.774  -3.069   3.962
  238   1HE   MET  28          HE1       MET  28  17.163  -4.283   2.328
  239   2HE   MET  28          HE2       MET  28  18.651  -5.093   2.810
  240   3HE   MET  28          HE3       MET  28  18.093  -5.211   1.144
  241    HA   PRO  29           HA       PRO  29  21.797  -0.552   6.115
  242   1HB   PRO  29          HB2       PRO  29  22.745   1.986   5.706
  243   2HB   PRO  29          HB1       PRO  29  22.815   0.713   4.474
  244   1HG   PRO  29          HG2       PRO  29  20.883   2.960   4.766
  245   2HG   PRO  29          HG1       PRO  29  21.632   2.301   3.303
  246   1HD   PRO  29          HD2       PRO  29  19.091   1.726   4.040
  247   2HD   PRO  29          HD1       PRO  29  20.114   0.594   3.131
  248    H    GLN  30           HN       GLN  30  22.989   1.370   7.649
  249    HA   GLN  30           HA       GLN  30  21.345   1.496  10.017
  250   1HB   GLN  30          HB2       GLN  30  23.957   1.498   9.568
  251   2HB   GLN  30          HB1       GLN  30  23.742   3.248   9.560
  252   1HG   GLN  30          HG2       GLN  30  24.153   2.861  11.819
  253   2HG   GLN  30          HG1       GLN  30  22.392   2.795  11.781
  254   1HE2  GLN  30          HE21      GLN  30  25.306   0.875  12.242
  255   2HE2  GLN  30          HE22      GLN  30  24.514  -0.570  12.648
  256    H    LEU  31           HN       LEU  31  20.436   3.375  11.036
  257    HA   LEU  31           HA       LEU  31  19.807   5.617   9.147
  258   1HB   LEU  31          HB2       LEU  31  18.341   4.026  11.164
  259   2HB   LEU  31          HB1       LEU  31  18.006   5.756  11.218
  260    HG   LEU  31           HG       LEU  31  17.695   5.599   8.665
  261   1HD1  LEU  31          HD11      LEU  31  18.687   3.414   8.296
  262   2HD1  LEU  31          HD12      LEU  31  16.969   3.312   7.916
  263   3HD1  LEU  31          HD13      LEU  31  17.574   2.670   9.443
  264   1HD2  LEU  31          HD21      LEU  31  15.360   4.831   8.935
  265   2HD2  LEU  31          HD22      LEU  31  15.834   5.892  10.261
  266   3HD2  LEU  31          HD23      LEU  31  15.768   4.147  10.508
  Start of MODEL   23
    1   1H    SER   1           HT1      SER   1 -25.351  -3.347  -1.148
    2   2H    SER   1           HT2      SER   1 -25.279  -2.631  -2.688
    3   3H    SER   1           HT3      SER   1 -25.722  -1.703  -1.336
    4    HA   SER   1           HA       SER   1 -23.505  -1.946  -0.391
    5   1HB   SER   1          HB2       SER   1 -23.299  -3.726  -2.823
    6   2HB   SER   1          HB1       SER   1 -21.855  -3.071  -2.057
    7    HG   SER   1           HG       SER   1 -22.491  -5.133  -1.223
    8    H    GLY   2           HN       GLY   2 -22.749   0.119  -0.647
    9   1HA   GLY   2          HA2       GLY   2 -22.095   1.110  -3.354
   10   2HA   GLY   2          HA1       GLY   2 -23.292   2.039  -2.450
   11    H    SER   3           HN       SER   3 -22.376   3.781  -1.509
   12    HA   SER   3           HA       SER   3 -20.900   5.116  -0.263
   13   1HB   SER   3          HB2       SER   3 -20.779   3.756   1.567
   14   2HB   SER   3          HB1       SER   3 -20.468   2.320   0.604
   15    HG   SER   3           HG       SER   3 -18.619   2.781   1.741
   16    H    TRP   4           HN       TRP   4 -18.666   5.922  -0.301
   17    HA   TRP   4           HA       TRP   4 -17.229   5.111  -2.796
   18   1HB   TRP   4          HB2       TRP   4 -18.117   7.542  -1.790
   19   2HB   TRP   4          HB1       TRP   4 -16.397   7.557  -1.399
   20    HD1  TRP   4           HD1      TRP   4 -18.811   7.481  -4.341
   21    HE1  TRP   4           HE1      TRP   4 -17.506   7.984  -6.505
   22    HE3  TRP   4           HE3      TRP   4 -14.040   7.412  -2.527
   23    HZ2  TRP   4           HZ2      TRP   4 -14.793   8.316  -7.355
   24    HZ3  TRP   4           HZ3      TRP   4 -12.115   7.826  -4.033
   25    HH2  TRP   4           HH2      TRP   4 -12.486   8.276  -6.442
   26    H    LEU   5           HN       LEU   5 -16.685   5.800   0.671
   27    HA   LEU   5           HA       LEU   5 -13.864   5.441   0.745
   28   1HB   LEU   5          HB2       LEU   5 -15.643   6.231   2.507
   29   2HB   LEU   5          HB1       LEU   5 -15.714   4.522   2.939
   30    HG   LEU   5           HG       LEU   5 -13.091   4.711   2.989
   31   1HD1  LEU   5          HD11      LEU   5 -12.422   7.007   3.808
   32   2HD1  LEU   5          HD12      LEU   5 -14.007   7.585   3.296
   33   3HD1  LEU   5          HD13      LEU   5 -12.874   6.948   2.105
   34   1HD2  LEU   5          HD21      LEU   5 -14.350   4.190   4.976
   35   2HD2  LEU   5          HD22      LEU   5 -14.969   5.839   5.085
   36   3HD2  LEU   5          HD23      LEU   5 -13.262   5.516   5.393
   37    H    ARG   6           HN       ARG   6 -16.509   3.053   0.866
   38    HA   ARG   6           HA       ARG   6 -15.045   0.735   1.604
   39   1HB   ARG   6          HB2       ARG   6 -17.547   1.063   1.317
   40   2HB   ARG   6          HB1       ARG   6 -17.295   0.928  -0.424
   41   1HG   ARG   6          HG2       ARG   6 -16.024  -1.290   0.238
   42   2HG   ARG   6          HG1       ARG   6 -16.998  -1.171   1.703
   43   1HD   ARG   6          HD2       ARG   6 -18.930  -1.710   0.603
   44   2HD   ARG   6          HD1       ARG   6 -18.499  -0.737  -0.818
   45    HE   ARG   6           HE       ARG   6 -17.275  -2.604  -1.695
   46   1HH1  ARG   6          HH21      ARG   6 -19.627  -4.105  -0.474
   47   2HH1  ARG   6          HH22      ARG   6 -18.816  -5.373   0.380
   48   1HH2  ARG   6          HH11      ARG   6 -15.708  -3.824   0.259
   49   2HH2  ARG   6          HH12      ARG   6 -16.588  -5.214   0.796
   50    H    ASP   7           HN       ASP   7 -15.552   2.192  -1.625
   51    HA   ASP   7           HA       ASP   7 -14.168   0.179  -3.140
   52   1HB   ASP   7          HB2       ASP   7 -15.729   1.900  -4.031
   53   2HB   ASP   7          HB1       ASP   7 -14.541   3.149  -3.654
   54    H    ILE   8           HN       ILE   8 -13.068   3.159  -1.525
   55    HA   ILE   8           HA       ILE   8 -10.344   3.001  -2.546
   56    HB   ILE   8           HB       ILE   8 -11.503   4.460  -0.142
   57   1HG1  ILE   8          HG12      ILE   8 -12.775   5.128  -2.073
   58   2HG1  ILE   8          HG11      ILE   8 -11.586   6.398  -1.798
   59   1HG2  ILE   8          HG21      ILE   8  -9.588   6.072  -0.810
   60   2HG2  ILE   8          HG22      ILE   8  -8.940   4.706  -1.718
   61   3HG2  ILE   8          HG23      ILE   8  -9.150   4.584   0.030
   62   1HD1  ILE   8          HD11      ILE   8 -11.567   4.241  -3.909
   63   2HD1  ILE   8          HD12      ILE   8 -10.091   5.096  -3.459
   64   3HD1  ILE   8          HD13      ILE   8 -11.459   5.987  -4.125
   65    H    TRP   9           HN       TRP   9 -12.049   1.699   0.263
   66    HA   TRP   9           HA       TRP   9  -9.916   1.122   2.020
   67   1HB   TRP   9          HB2       TRP   9 -12.498   0.797   2.172
   68   2HB   TRP   9          HB1       TRP   9 -12.185  -0.791   1.472
   69    HD1  TRP   9           HD1      TRP   9 -12.080  -2.536   3.304
   70    HE1  TRP   9           HE1      TRP   9 -11.097  -2.669   5.683
   71    HE3  TRP   9           HE3      TRP   9 -10.276   2.219   3.785
   72    HZ2  TRP   9           HZ2      TRP   9  -9.728  -0.984   7.545
   73    HZ3  TRP   9           HZ3      TRP   9  -9.139   2.928   5.869
   74    HH2  TRP   9           HH2      TRP   9  -8.863   1.334   7.748
   75    H    ASP  10           HN       ASP  10 -11.202  -0.974  -0.609
   76    HA   ASP  10           HA       ASP  10  -9.263  -3.071  -0.303
   77   1HB   ASP  10          HB2       ASP  10 -11.495  -3.019  -1.581
   78   2HB   ASP  10          HB1       ASP  10 -10.612  -2.206  -2.875
   79    H    TRP  11           HN       TRP  11  -9.317  -0.129  -2.323
   80    HA   TRP  11           HA       TRP  11  -6.905  -0.573  -3.791
   81   1HB   TRP  11          HB2       TRP  11  -8.598   1.143  -4.305
   82   2HB   TRP  11          HB1       TRP  11  -8.252   1.964  -2.785
   83    HD1  TRP  11           HD1      TRP  11  -6.855   1.382  -6.275
   84    HE1  TRP  11           HE1      TRP  11  -4.908   3.023  -6.682
   85    HE3  TRP  11           HE3      TRP  11  -6.361   3.344  -1.587
   86    HZ2  TRP  11           HZ2      TRP  11  -3.346   4.918  -5.211
   87    HZ3  TRP  11           HZ3      TRP  11  -4.639   5.063  -1.117
   88    HH2  TRP  11           HH2      TRP  11  -3.132   5.850  -2.922
   89    H    ILE  12           HN       ILE  12  -7.488   0.916  -0.594
   90    HA   ILE  12           HA       ILE  12  -4.794   1.771  -0.078
   91    HB   ILE  12           HB       ILE  12  -7.122   0.934   1.686
   92   1HG1  ILE  12          HG12      ILE  12  -6.033   3.718   1.340
   93   2HG1  ILE  12          HG11      ILE  12  -7.100   3.040   0.111
   94   1HG2  ILE  12          HG21      ILE  12  -5.754   2.399   3.389
   95   2HG2  ILE  12          HG22      ILE  12  -4.376   1.941   2.387
   96   3HG2  ILE  12          HG23      ILE  12  -5.341   0.697   3.183
   97   1HD1  ILE  12          HD11      ILE  12  -8.879   2.748   1.668
   98   2HD1  ILE  12          HD12      ILE  12  -8.239   4.360   1.986
   99   3HD1  ILE  12          HD13      ILE  12  -7.815   3.016   3.047
  100    H    CYS  13           HN       CYS  13  -6.488  -1.319   0.452
  101    HA   CYS  13           HA       CYS  13  -4.426  -2.651   1.943
  102   1HB   CYS  13          HB2       CYS  13  -6.893  -3.266   1.543
  103   2HB   CYS  13          HB1       CYS  13  -6.368  -3.905  -0.015
  104    HG   CYS  13           HG       CYS  13  -6.167  -5.434   2.484
  105    H    GLU  14           HN       GLU  14  -5.075  -2.367  -1.562
  106    HA   GLU  14           HA       GLU  14  -3.003  -4.148  -2.451
  107   1HB   GLU  14          HB2       GLU  14  -4.927  -2.234  -3.507
  108   2HB   GLU  14          HB1       GLU  14  -3.401  -2.147  -4.382
  109   1HG   GLU  14          HG2       GLU  14  -4.309  -3.884  -5.563
  110   2HG   GLU  14          HG1       GLU  14  -3.677  -4.835  -4.220
  111    H    VAL  15           HN       VAL  15  -3.080  -0.652  -1.841
  112    HA   VAL  15           HA       VAL  15  -0.352  -0.132  -2.682
  113    HB   VAL  15           HB       VAL  15  -2.275   1.351  -0.850
  114   1HG1  VAL  15          HG11      VAL  15   0.467   1.960  -1.849
  115   2HG1  VAL  15          HG12      VAL  15  -0.327   2.470  -0.358
  116   3HG1  VAL  15          HG13      VAL  15  -0.701   3.281  -1.879
  117   1HG2  VAL  15          HG21      VAL  15  -1.713   2.411  -3.534
  118   2HG2  VAL  15          HG22      VAL  15  -3.261   2.177  -2.722
  119   3HG2  VAL  15          HG23      VAL  15  -2.493   0.830  -3.563
  120    H    LEU  16           HN       LEU  16  -1.906  -0.964   0.406
  121    HA   LEU  16           HA       LEU  16   0.285  -0.492   2.171
  122   1HB   LEU  16          HB2       LEU  16  -2.145  -1.026   2.691
  123   2HB   LEU  16          HB1       LEU  16  -1.781  -2.710   2.315
  124    HG   LEU  16           HG       LEU  16   0.203  -2.332   4.028
  125   1HD1  LEU  16          HD11      LEU  16  -1.871  -0.330   4.976
  126   2HD1  LEU  16          HD12      LEU  16  -0.314   0.104   4.271
  127   3HD1  LEU  16          HD13      LEU  16  -0.377  -0.765   5.804
  128   1HD2  LEU  16          HD21      LEU  16  -1.177  -3.295   5.742
  129   2HD2  LEU  16          HD22      LEU  16  -1.822  -3.870   4.205
  130   3HD2  LEU  16          HD23      LEU  16  -2.634  -2.564   5.068
  131    H    SER  17           HN       SER  17  -0.564  -3.355   0.200
  132    HA   SER  17           HA       SER  17   1.461  -5.130   1.160
  133   1HB   SER  17          HB2       SER  17  -0.618  -5.289  -0.554
  134   2HB   SER  17          HB1       SER  17   0.689  -5.133  -1.725
  135    HG   SER  17           HG       SER  17   1.143  -7.137  -1.321
  136    H    ASP  18           HN       ASP  18   1.479  -2.739  -1.498
  137    HA   ASP  18           HA       ASP  18   4.237  -3.264  -2.277
  138   1HB   ASP  18          HB2       ASP  18   2.731  -2.341  -3.897
  139   2HB   ASP  18          HB1       ASP  18   2.199  -1.078  -2.787
  140    H    PHE  19           HN       PHE  19   2.595  -0.919  -0.153
  141    HA   PHE  19           HA       PHE  19   4.632   0.912   0.420
  142   1HB   PHE  19          HB2       PHE  19   2.137   0.226   1.398
  143   2HB   PHE  19          HB1       PHE  19   3.184  -0.100   2.777
  144    HD1  PHE  19           HD1      PHE  19   1.827   2.482   0.555
  145    HD2  PHE  19           HD2      PHE  19   4.556   1.690   3.778
  146    HE1  PHE  19           HE1      PHE  19   1.981   4.913   1.024
  147    HE2  PHE  19           HE2      PHE  19   4.709   4.121   4.245
  148    HZ   PHE  19           HZ       PHE  19   3.422   5.732   2.869
  149    H    LYS  20           HN       LYS  20   4.168  -2.340   1.818
  150    HA   LYS  20           HA       LYS  20   6.298  -2.282   3.722
  151   1HB   LYS  20          HB2       LYS  20   4.421  -3.952   3.490
  152   2HB   LYS  20          HB1       LYS  20   5.259  -4.623   2.091
  153   1HG   LYS  20          HG2       LYS  20   7.220  -4.470   4.093
  154   2HG   LYS  20          HG1       LYS  20   5.776  -5.056   4.919
  155   1HD   LYS  20          HD2       LYS  20   5.717  -6.528   2.601
  156   2HD   LYS  20          HD1       LYS  20   7.451  -6.387   2.886
  157   1HE   LYS  20          HE2       LYS  20   7.034  -8.244   4.209
  158   2HE   LYS  20          HE1       LYS  20   6.650  -6.989   5.403
  159   1HZ   LYS  20          HZ1       LYS  20   4.339  -7.023   4.323
  160   2HZ   LYS  20          HZ2       LYS  20   4.742  -8.301   5.367
  161   3HZ   LYS  20          HZ3       LYS  20   4.796  -8.526   3.684
  162    H    THR  21           HN       THR  21   6.264  -3.293   0.282
  163    HA   THR  21           HA       THR  21   9.131  -3.930   0.293
  164    HB   THR  21           HB       THR  21   7.430  -3.527  -2.162
  165    HG1  THR  21           HG1      THR  21   6.079  -4.962  -1.490
  166   1HG2  THR  21          HG21      THR  21   9.380  -5.719  -1.423
  167   2HG2  THR  21          HG22      THR  21   9.862  -4.230  -2.235
  168   3HG2  THR  21          HG23      THR  21   8.745  -5.344  -3.025
  169    H    TRP  22           HN       TRP  22   7.069  -1.347  -1.095
  170    HA   TRP  22           HA       TRP  22   9.013   0.153  -2.478
  171   1HB   TRP  22          HB2       TRP  22   6.378   0.377  -1.951
  172   2HB   TRP  22          HB1       TRP  22   6.983   1.588  -0.825
  173    HD1  TRP  22           HD1      TRP  22   6.418   0.941  -4.485
  174    HE1  TRP  22           HE1      TRP  22   7.089   3.027  -5.844
  175    HE3  TRP  22           HE3      TRP  22   8.732   3.662  -0.838
  176    HZ2  TRP  22           HZ2      TRP  22   8.433   5.521  -5.436
  177    HZ3  TRP  22           HZ3      TRP  22   9.699   5.887  -1.348
  178    HH2  TRP  22           HH2      TRP  22   9.551   6.818  -3.640
  179    H    LEU  23           HN       LEU  23   8.083   0.384   0.968
  180    HA   LEU  23           HA       LEU  23   9.882   2.478   1.710
  181   1HB   LEU  23          HB2       LEU  23   8.287   0.332   3.010
  182   2HB   LEU  23          HB1       LEU  23   9.616   0.975   3.970
  183    HG   LEU  23           HG       LEU  23   7.433   2.188   4.305
  184   1HD1  LEU  23          HD11      LEU  23   9.810   3.189   4.537
  185   2HD1  LEU  23          HD12      LEU  23   8.452   4.310   4.448
  186   3HD1  LEU  23          HD13      LEU  23   9.454   4.024   3.025
  187   1HD2  LEU  23          HD21      LEU  23   6.662   2.025   1.941
  188   2HD2  LEU  23          HD22      LEU  23   7.948   3.133   1.464
  189   3HD2  LEU  23          HD23      LEU  23   6.654   3.687   2.527
  190    H    LYS  24           HN       LYS  24  10.305  -1.086   1.733
  191    HA   LYS  24           HA       LYS  24  13.010  -1.026   2.780
  192   1HB   LYS  24          HB2       LYS  24  11.191  -2.994   1.409
  193   2HB   LYS  24          HB1       LYS  24  12.892  -3.405   1.628
  194   1HG   LYS  24          HG2       LYS  24  11.212  -2.401   3.927
  195   2HG   LYS  24          HG1       LYS  24  11.252  -4.110   3.497
  196   1HD   LYS  24          HD2       LYS  24  13.922  -3.514   3.504
  197   2HD   LYS  24          HD1       LYS  24  13.332  -2.439   4.771
  198   1HE   LYS  24          HE2       LYS  24  12.014  -4.654   5.519
  199   2HE   LYS  24          HE1       LYS  24  13.386  -5.427   4.702
  200   1HZ   LYS  24          HZ1       LYS  24  13.971  -4.974   6.985
  201   2HZ   LYS  24          HZ2       LYS  24  13.541  -3.339   6.815
  202   3HZ   LYS  24          HZ3       LYS  24  14.878  -3.963   5.970
  203    H    ALA  25           HN       ALA  25  11.595  -0.983  -0.476
  204    HA   ALA  25           HA       ALA  25  13.991  -1.414  -1.992
  205   1HB   ALA  25          HB1       ALA  25  11.524  -1.461  -2.686
  206   2HB   ALA  25          HB2       ALA  25  12.628  -0.687  -3.821
  207   3HB   ALA  25          HB3       ALA  25  11.616   0.298  -2.765
  208    H    LYS  26           HN       LYS  26  12.946   1.338  -0.146
  209    HA   LYS  26           HA       LYS  26  14.858   3.137  -1.587
  210   1HB   LYS  26          HB2       LYS  26  12.241   3.384  -0.302
  211   2HB   LYS  26          HB1       LYS  26  13.376   4.604   0.273
  212   1HG   LYS  26          HG2       LYS  26  12.358   5.574  -1.642
  213   2HG   LYS  26          HG1       LYS  26  13.936   5.019  -2.199
  214   1HD   LYS  26          HD2       LYS  26  12.038   2.867  -2.440
  215   2HD   LYS  26          HD1       LYS  26  11.392   4.304  -3.231
  216   1HE   LYS  26          HE2       LYS  26  13.130   4.401  -4.784
  217   2HE   LYS  26          HE1       LYS  26  14.264   3.547  -3.719
  218   1HZ   LYS  26          HZ1       LYS  26  11.797   2.260  -4.748
  219   2HZ   LYS  26          HZ2       LYS  26  13.159   1.521  -4.051
  220   3HZ   LYS  26          HZ3       LYS  26  13.262   2.200  -5.603
  221    H    LEU  27           HN       LEU  27  14.150   1.628   1.527
  222    HA   LEU  27           HA       LEU  27  16.112   3.223   3.015
  223   1HB   LEU  27          HB2       LEU  27  13.917   2.134   3.820
  224   2HB   LEU  27          HB1       LEU  27  14.814   0.616   3.826
  225    HG   LEU  27           HG       LEU  27  16.581   2.017   5.203
  226   1HD1  LEU  27          HD11      LEU  27  15.556   4.184   5.042
  227   2HD1  LEU  27          HD12      LEU  27  15.323   3.638   6.702
  228   3HD1  LEU  27          HD13      LEU  27  13.991   3.549   5.549
  229   1HD2  LEU  27          HD21      LEU  27  15.314   0.049   6.029
  230   2HD2  LEU  27          HD22      LEU  27  13.947   1.099   6.405
  231   3HD2  LEU  27          HD23      LEU  27  15.469   1.286   7.276
  232    H    MET  28           HN       MET  28  15.960  -0.084   1.650
  233    HA   MET  28           HA       MET  28  18.376  -1.108   2.738
  234   1HB   MET  28          HB2       MET  28  16.583  -1.650   0.432
  235   2HB   MET  28          HB1       MET  28  18.204  -2.332   0.319
  236   1HG   MET  28          HG2       MET  28  17.916  -3.687   2.188
  237   2HG   MET  28          HG1       MET  28  16.678  -2.640   2.884
  238   1HE   MET  28          HE1       MET  28  17.667  -5.093   0.156
  239   2HE   MET  28          HE2       MET  28  16.264  -6.159   0.093
  240   3HE   MET  28          HE3       MET  28  17.176  -6.003   1.592
  241    HA   PRO  29           HA       PRO  29  20.730   0.536  -1.081
  242   1HB   PRO  29          HB2       PRO  29  19.467   2.257  -2.790
  243   2HB   PRO  29          HB1       PRO  29  19.426   0.496  -2.984
  244   1HG   PRO  29          HG2       PRO  29  17.360   2.328  -1.902
  245   2HG   PRO  29          HG1       PRO  29  17.174   0.856  -2.865
  246   1HD   PRO  29          HD2       PRO  29  16.778   1.002  -0.149
  247   2HD   PRO  29          HD1       PRO  29  17.169  -0.489  -1.033
  248    H    GLN  30           HN       GLN  30  21.197   3.049  -2.034
  249    HA   GLN  30           HA       GLN  30  20.925   4.852   0.356
  250   1HB   GLN  30          HB2       GLN  30  23.243   4.146  -1.445
  251   2HB   GLN  30          HB1       GLN  30  23.239   5.659  -0.542
  252   1HG   GLN  30          HG2       GLN  30  22.719   3.008   0.809
  253   2HG   GLN  30          HG1       GLN  30  24.353   3.634   0.592
  254   1HE2  GLN  30          HE21      GLN  30  21.499   3.869   2.548
  255   2HE2  GLN  30          HE22      GLN  30  22.012   5.170   3.510
  256    H    LEU  31           HN       LEU  31  21.100   7.200  -0.237
  257    HA   LEU  31           HA       LEU  31  20.001   7.718  -2.982
  258   1HB   LEU  31          HB2       LEU  31  19.325   8.595  -0.231
  259   2HB   LEU  31          HB1       LEU  31  19.285   9.870  -1.446
  260    HG   LEU  31           HG       LEU  31  17.080   8.803  -1.252
  261   1HD1  LEU  31          HD11      LEU  31  18.179   7.760  -3.842
  262   2HD1  LEU  31          HD12      LEU  31  18.216   9.496  -3.528
  263   3HD1  LEU  31          HD13      LEU  31  16.677   8.633  -3.538
  264   1HD2  LEU  31          HD21      LEU  31  18.310   6.528  -0.635
  265   2HD2  LEU  31          HD22      LEU  31  18.166   6.243  -2.370
  266   3HD2  LEU  31          HD23      LEU  31  16.721   6.516  -1.397
  Start of MODEL   24
    1   1H    SER   1           HT1      SER   1 -28.202   2.653  -2.153
    2   2H    SER   1           HT2      SER   1 -29.055   2.628  -0.684
    3   3H    SER   1           HT3      SER   1 -28.433   1.186  -1.334
    4    HA   SER   1           HA       SER   1 -26.768   3.475  -0.404
    5   1HB   SER   1          HB2       SER   1 -27.394   0.786   0.861
    6   2HB   SER   1          HB1       SER   1 -26.374   2.045   1.551
    7    HG   SER   1           HG       SER   1 -28.405   2.263   2.428
    8    H    GLY   2           HN       GLY   2 -24.746   3.333  -1.301
    9   1HA   GLY   2          HA2       GLY   2 -23.886   0.693  -2.421
   10   2HA   GLY   2          HA1       GLY   2 -23.381   2.251  -3.077
   11    H    SER   3           HN       SER   3 -21.747  -0.010  -1.972
   12    HA   SER   3           HA       SER   3 -20.609   1.009   0.542
   13   1HB   SER   3          HB2       SER   3 -20.724  -1.422  -0.892
   14   2HB   SER   3          HB1       SER   3 -19.023  -0.970  -0.872
   15    HG   SER   3           HG       SER   3 -20.791  -1.237   1.337
   16    H    TRP   4           HN       TRP   4 -19.811   3.116  -0.062
   17    HA   TRP   4           HA       TRP   4 -17.911   3.410  -2.286
   18   1HB   TRP   4          HB2       TRP   4 -19.626   5.107  -1.449
   19   2HB   TRP   4          HB1       TRP   4 -18.578   5.347  -0.051
   20    HD1  TRP   4           HD1      TRP   4 -18.229   5.368  -3.911
   21    HE1  TRP   4           HE1      TRP   4 -16.566   7.229  -4.551
   22    HE3  TRP   4           HE3      TRP   4 -16.937   7.042   0.740
   23    HZ2  TRP   4           HZ2      TRP   4 -14.910   9.172  -3.264
   24    HZ3  TRP   4           HZ3      TRP   4 -15.317   8.897   1.002
   25    HH2  TRP   4           HH2      TRP   4 -14.302   9.964  -0.992
   26    H    LEU   5           HN       LEU   5 -17.763   3.388   1.287
   27    HA   LEU   5           HA       LEU   5 -15.029   4.038   1.650
   28   1HB   LEU   5          HB2       LEU   5 -17.076   3.541   3.270
   29   2HB   LEU   5          HB1       LEU   5 -16.376   1.922   3.305
   30    HG   LEU   5           HG       LEU   5 -14.580   4.292   3.715
   31   1HD1  LEU   5          HD11      LEU   5 -16.282   3.012   5.876
   32   2HD1  LEU   5          HD12      LEU   5 -16.514   4.638   5.234
   33   3HD1  LEU   5          HD13      LEU   5 -15.044   4.244   6.124
   34   1HD2  LEU   5          HD21      LEU   5 -13.652   2.472   5.374
   35   2HD2  LEU   5          HD22      LEU   5 -13.363   2.292   3.643
   36   3HD2  LEU   5          HD23      LEU   5 -14.647   1.369   4.423
   37    H    ARG   6           HN       ARG   6 -16.551   0.890   0.927
   38    HA   ARG   6           HA       ARG   6 -14.227  -0.759   1.173
   39   1HB   ARG   6          HB2       ARG   6 -16.891  -1.089   0.664
   40   2HB   ARG   6          HB1       ARG   6 -16.216  -1.390  -0.937
   41   1HG   ARG   6          HG2       ARG   6 -15.270  -3.354  -0.298
   42   2HG   ARG   6          HG1       ARG   6 -14.734  -2.698   1.249
   43   1HD   ARG   6          HD2       ARG   6 -17.042  -2.909   2.137
   44   2HD   ARG   6          HD1       ARG   6 -17.560  -3.607   0.589
   45    HE   ARG   6           HE       ARG   6 -15.526  -4.864   2.396
   46   1HH1  ARG   6          HH11      ARG   6 -18.465  -5.772   1.870
   47   2HH1  ARG   6          HH12      ARG   6 -18.179  -7.128   0.831
   48   1HH2  ARG   6          HH21      ARG   6 -14.873  -6.267   0.184
   49   2HH2  ARG   6          HH22      ARG   6 -16.136  -7.411  -0.125
   50    H    ASP   7           HN       ASP   7 -15.427   1.262  -1.488
   51    HA   ASP   7           HA       ASP   7 -13.709   0.285  -3.570
   52   1HB   ASP   7          HB2       ASP   7 -15.799   1.807  -3.628
   53   2HB   ASP   7          HB1       ASP   7 -14.699   3.126  -3.227
   54    H    ILE   8           HN       ILE   8 -13.273   2.819  -1.093
   55    HA   ILE   8           HA       ILE   8 -10.614   3.567  -2.126
   56    HB   ILE   8           HB       ILE   8 -12.251   4.335   0.317
   57   1HG1  ILE   8          HG12      ILE   8 -11.817   6.520  -1.415
   58   2HG1  ILE   8          HG11      ILE   8 -12.224   5.163  -2.465
   59   1HG2  ILE   8          HG21      ILE   8 -10.541   6.327   0.230
   60   2HG2  ILE   8          HG22      ILE   8  -9.516   5.169  -0.620
   61   3HG2  ILE   8          HG23      ILE   8 -10.071   4.820   1.017
   62   1HD1  ILE   8          HD11      ILE   8 -14.385   5.410  -1.903
   63   2HD1  ILE   8          HD12      ILE   8 -13.966   6.708  -0.785
   64   3HD1  ILE   8          HD13      ILE   8 -13.974   5.034  -0.230
   65    H    TRP   9           HN       TRP   9 -11.938   1.941   0.788
   66    HA   TRP   9           HA       TRP   9  -9.494   1.433   2.136
   67   1HB   TRP   9          HB2       TRP   9 -11.853   1.142   2.971
   68   2HB   TRP   9          HB1       TRP   9 -11.961  -0.330   2.004
   69    HD1  TRP   9           HD1      TRP   9 -11.787  -2.273   3.646
   70    HE1  TRP   9           HE1      TRP   9 -10.175  -2.935   5.546
   71    HE3  TRP   9           HE3      TRP   9  -8.880   1.924   3.848
   72    HZ2  TRP   9           HZ2      TRP   9  -7.950  -1.832   6.964
   73    HZ3  TRP   9           HZ3      TRP   9  -7.025   2.090   5.479
   74    HH2  TRP   9           HH2      TRP   9  -6.556   0.219   7.036
   75    H    ASP  10           HN       ASP  10 -11.154  -0.512  -0.368
   76    HA   ASP  10           HA       ASP  10  -9.438  -2.787  -0.344
   77   1HB   ASP  10          HB2       ASP  10 -11.618  -2.580  -1.515
   78   2HB   ASP  10          HB1       ASP  10 -10.894  -1.435  -2.645
   79    H    TRP  11           HN       TRP  11  -9.193   0.281  -2.167
   80    HA   TRP  11           HA       TRP  11  -6.792  -0.392  -3.618
   81   1HB   TRP  11          HB2       TRP  11  -8.321   1.383  -4.301
   82   2HB   TRP  11          HB1       TRP  11  -8.081   2.229  -2.774
   83    HD1  TRP  11           HD1      TRP  11  -6.227   1.311  -6.007
   84    HE1  TRP  11           HE1      TRP  11  -4.260   2.949  -6.313
   85    HE3  TRP  11           HE3      TRP  11  -6.503   3.855  -1.590
   86    HZ2  TRP  11           HZ2      TRP  11  -2.975   5.063  -4.874
   87    HZ3  TRP  11           HZ3      TRP  11  -4.898   5.672  -1.082
   88    HH2  TRP  11           HH2      TRP  11  -3.136   6.279  -2.717
   89    H    ILE  12           HN       ILE  12  -7.371   1.250  -0.494
   90    HA   ILE  12           HA       ILE  12  -4.668   2.018   0.057
   91    HB   ILE  12           HB       ILE  12  -7.067   1.300   1.772
   92   1HG1  ILE  12          HG12      ILE  12  -5.737   3.978   1.268
   93   2HG1  ILE  12          HG11      ILE  12  -7.062   3.364   0.278
   94   1HG2  ILE  12          HG21      ILE  12  -4.291   2.154   2.569
   95   2HG2  ILE  12          HG22      ILE  12  -5.327   0.931   3.303
   96   3HG2  ILE  12          HG23      ILE  12  -5.679   2.642   3.541
   97   1HD1  ILE  12          HD11      ILE  12  -8.489   3.196   2.284
   98   2HD1  ILE  12          HD12      ILE  12  -7.909   4.846   2.063
   99   3HD1  ILE  12          HD13      ILE  12  -7.167   3.805   3.279
  100    H    CYS  13           HN       CYS  13  -6.443  -1.018   0.611
  101    HA   CYS  13           HA       CYS  13  -4.396  -2.364   2.135
  102   1HB   CYS  13          HB2       CYS  13  -6.871  -2.917   1.894
  103   2HB   CYS  13          HB1       CYS  13  -6.494  -3.557   0.295
  104    HG   CYS  13           HG       CYS  13  -4.939  -5.341   1.445
  105    H    GLU  14           HN       GLU  14  -5.170  -2.270  -1.371
  106    HA   GLU  14           HA       GLU  14  -3.132  -4.134  -2.182
  107   1HB   GLU  14          HB2       GLU  14  -5.183  -2.553  -3.332
  108   2HB   GLU  14          HB1       GLU  14  -3.692  -2.085  -4.149
  109   1HG   GLU  14          HG2       GLU  14  -4.654  -4.942  -3.796
  110   2HG   GLU  14          HG1       GLU  14  -4.812  -3.999  -5.277
  111    H    VAL  15           HN       VAL  15  -3.205  -0.586  -1.952
  112    HA   VAL  15           HA       VAL  15  -0.508  -0.110  -2.842
  113    HB   VAL  15           HB       VAL  15  -2.411   1.408  -1.018
  114   1HG1  VAL  15          HG11      VAL  15  -0.415   2.458  -0.484
  115   2HG1  VAL  15          HG12      VAL  15  -0.845   3.352  -1.942
  116   3HG1  VAL  15          HG13      VAL  15   0.338   2.046  -2.025
  117   1HG2  VAL  15          HG21      VAL  15  -3.311   2.297  -2.912
  118   2HG2  VAL  15          HG22      VAL  15  -2.631   0.874  -3.700
  119   3HG2  VAL  15          HG23      VAL  15  -1.748   2.402  -3.723
  120    H    LEU  16           HN       LEU  16  -1.949  -0.928   0.289
  121    HA   LEU  16           HA       LEU  16   0.257  -0.408   2.014
  122   1HB   LEU  16          HB2       LEU  16  -2.320  -1.489   2.144
  123   2HB   LEU  16          HB1       LEU  16  -1.285  -2.827   2.629
  124    HG   LEU  16           HG       LEU  16  -1.895  -1.550   4.605
  125   1HD1  LEU  16          HD11      LEU  16   0.932  -0.711   3.970
  126   2HD1  LEU  16          HD12      LEU  16   0.516  -2.406   4.221
  127   3HD1  LEU  16          HD13      LEU  16   0.260  -1.235   5.514
  128   1HD2  LEU  16          HD21      LEU  16  -0.647   0.838   3.207
  129   2HD2  LEU  16          HD22      LEU  16  -1.363   0.826   4.818
  130   3HD2  LEU  16          HD23      LEU  16  -2.382   0.583   3.400
  131    H    SER  17           HN       SER  17  -0.529  -3.227  -0.025
  132    HA   SER  17           HA       SER  17   1.557  -4.976   0.886
  133   1HB   SER  17          HB2       SER  17  -0.416  -4.775  -1.250
  134   2HB   SER  17          HB1       SER  17   1.094  -5.455  -1.848
  135    HG   SER  17           HG       SER  17  -0.646  -6.834  -0.724
  136    H    ASP  18           HN       ASP  18   1.421  -2.643  -1.830
  137    HA   ASP  18           HA       ASP  18   4.154  -3.038  -2.685
  138   1HB   ASP  18          HB2       ASP  18   2.493  -2.069  -4.161
  139   2HB   ASP  18          HB1       ASP  18   2.133  -0.791  -2.998
  140    H    PHE  19           HN       PHE  19   2.573  -0.696  -0.493
  141    HA   PHE  19           HA       PHE  19   4.741   1.015   0.072
  142   1HB   PHE  19          HB2       PHE  19   2.157   0.460   1.038
  143   2HB   PHE  19          HB1       PHE  19   3.207   0.299   2.443
  144    HD1  PHE  19           HD1      PHE  19   2.424   2.577  -0.418
  145    HD2  PHE  19           HD2      PHE  19   4.034   2.209   3.548
  146    HE1  PHE  19           HE1      PHE  19   2.600   5.046  -0.259
  147    HE2  PHE  19           HE2      PHE  19   4.208   4.677   3.707
  148    HZ   PHE  19           HZ       PHE  19   3.492   6.095   1.803
  149    H    LYS  20           HN       LYS  20   3.948  -2.153   1.527
  150    HA   LYS  20           HA       LYS  20   5.995  -2.237   3.507
  151   1HB   LYS  20          HB2       LYS  20   3.988  -3.770   3.113
  152   2HB   LYS  20          HB1       LYS  20   4.954  -4.564   1.867
  153   1HG   LYS  20          HG2       LYS  20   6.750  -4.906   3.624
  154   2HG   LYS  20          HG1       LYS  20   5.579  -4.355   4.823
  155   1HD   LYS  20          HD2       LYS  20   4.009  -6.155   3.939
  156   2HD   LYS  20          HD1       LYS  20   5.382  -6.789   3.033
  157   1HE   LYS  20          HE2       LYS  20   5.638  -6.281   6.000
  158   2HE   LYS  20          HE1       LYS  20   4.920  -7.791   5.402
  159   1HZ   LYS  20          HZ1       LYS  20   7.561  -6.687   4.583
  160   2HZ   LYS  20          HZ2       LYS  20   6.863  -8.121   3.996
  161   3HZ   LYS  20          HZ3       LYS  20   7.327  -8.005   5.625
  162    H    THR  21           HN       THR  21   6.079  -3.112   0.040
  163    HA   THR  21           HA       THR  21   8.899  -3.984   0.227
  164    HB   THR  21           HB       THR  21   7.308  -3.541  -2.302
  165    HG1  THR  21           HG1      THR  21   5.884  -4.884  -1.580
  166   1HG2  THR  21          HG21      THR  21   9.816  -4.439  -1.945
  167   2HG2  THR  21          HG22      THR  21   8.776  -5.035  -3.238
  168   3HG2  THR  21          HG23      THR  21   8.948  -5.962  -1.747
  169    H    TRP  22           HN       TRP  22   7.028  -1.268  -1.131
  170    HA   TRP  22           HA       TRP  22   9.111   0.101  -2.495
  171   1HB   TRP  22          HB2       TRP  22   6.489   0.455  -2.178
  172   2HB   TRP  22          HB1       TRP  22   7.020   1.572  -0.925
  173    HD1  TRP  22           HD1      TRP  22   6.799   1.164  -4.660
  174    HE1  TRP  22           HE1      TRP  22   7.657   3.306  -5.812
  175    HE3  TRP  22           HE3      TRP  22   8.799   3.588  -0.636
  176    HZ2  TRP  22           HZ2      TRP  22   9.012   5.729  -5.116
  177    HZ3  TRP  22           HZ3      TRP  22   9.865   5.809  -0.907
  178    HH2  TRP  22           HH2      TRP  22   9.973   6.881  -3.140
  179    H    LEU  23           HN       LEU  23   8.025   0.382   0.897
  180    HA   LEU  23           HA       LEU  23   9.923   2.387   1.698
  181   1HB   LEU  23          HB2       LEU  23   8.080   0.409   2.961
  182   2HB   LEU  23          HB1       LEU  23   9.354   1.064   3.988
  183    HG   LEU  23           HG       LEU  23   7.256   2.406   4.100
  184   1HD1  LEU  23          HD11      LEU  23   9.625   3.370   4.340
  185   2HD1  LEU  23          HD12      LEU  23   8.330   4.519   4.005
  186   3HD1  LEU  23          HD13      LEU  23   9.408   4.004   2.709
  187   1HD2  LEU  23          HD21      LEU  23   6.610   3.760   2.139
  188   2HD2  LEU  23          HD22      LEU  23   6.507   2.040   1.771
  189   3HD2  LEU  23          HD23      LEU  23   7.873   2.988   1.184
  190    H    LYS  24           HN       LYS  24  10.036  -1.194   1.797
  191    HA   LYS  24           HA       LYS  24  12.628  -1.325   3.107
  192   1HB   LYS  24          HB2       LYS  24  10.723  -3.067   2.930
  193   2HB   LYS  24          HB1       LYS  24  11.370  -3.421   1.327
  194   1HG   LYS  24          HG2       LYS  24  13.660  -3.460   2.803
  195   2HG   LYS  24          HG1       LYS  24  12.497  -4.041   3.996
  196   1HD   LYS  24          HD2       LYS  24  11.752  -5.449   1.755
  197   2HD   LYS  24          HD1       LYS  24  13.503  -5.359   1.562
  198   1HE   LYS  24          HE2       LYS  24  13.838  -6.300   3.803
  199   2HE   LYS  24          HE1       LYS  24  12.084  -6.325   4.072
  200   1HZ   LYS  24          HZ1       LYS  24  12.722  -8.466   3.271
  201   2HZ   LYS  24          HZ2       LYS  24  13.597  -7.797   1.978
  202   3HZ   LYS  24          HZ3       LYS  24  11.901  -7.683   2.012
  203    H    ALA  25           HN       ALA  25  11.529  -1.197  -0.262
  204    HA   ALA  25           HA       ALA  25  14.055  -1.911  -1.483
  205   1HB   ALA  25          HB1       ALA  25  11.868  -2.051  -2.604
  206   2HB   ALA  25          HB2       ALA  25  12.934  -0.967  -3.499
  207   3HB   ALA  25          HB3       ALA  25  11.670  -0.303  -2.463
  208    H    LYS  26           HN       LYS  26  12.569   1.182  -0.510
  209    HA   LYS  26           HA       LYS  26  14.660   2.841  -1.680
  210   1HB   LYS  26          HB2       LYS  26  12.296   3.528  -1.268
  211   2HB   LYS  26          HB1       LYS  26  12.590   3.414   0.468
  212   1HG   LYS  26          HG2       LYS  26  13.561   5.446   0.509
  213   2HG   LYS  26          HG1       LYS  26  14.646   5.010  -0.812
  214   1HD   LYS  26          HD2       LYS  26  12.380   5.309  -2.226
  215   2HD   LYS  26          HD1       LYS  26  12.018   6.414  -0.900
  216   1HE   LYS  26          HE2       LYS  26  14.682   6.537  -2.329
  217   2HE   LYS  26          HE1       LYS  26  13.264   7.408  -2.947
  218   1HZ   LYS  26          HZ1       LYS  26  14.352   7.602  -0.183
  219   2HZ   LYS  26          HZ2       LYS  26  12.973   8.410  -0.758
  220   3HZ   LYS  26          HZ3       LYS  26  14.505   8.785  -1.387
  221    H    LEU  27           HN       LEU  27  14.045   1.442   1.535
  222    HA   LEU  27           HA       LEU  27  16.312   2.884   2.752
  223   1HB   LEU  27          HB2       LEU  27  13.920   1.814   3.626
  224   2HB   LEU  27          HB1       LEU  27  15.082   0.610   4.174
  225    HG   LEU  27           HG       LEU  27  14.734   2.342   5.893
  226   1HD1  LEU  27          HD11      LEU  27  16.997   1.252   5.516
  227   2HD1  LEU  27          HD12      LEU  27  17.045   2.808   6.345
  228   3HD1  LEU  27          HD13      LEU  27  17.464   2.707   4.635
  229   1HD2  LEU  27          HD21      LEU  27  14.780   4.583   5.465
  230   2HD2  LEU  27          HD22      LEU  27  14.480   4.081   3.801
  231   3HD2  LEU  27          HD23      LEU  27  16.123   4.439   4.331
  232    H    MET  28           HN       MET  28  15.481  -0.550   2.109
  233    HA   MET  28           HA       MET  28  16.853  -2.458   1.920
  234   1HB   MET  28          HB2       MET  28  18.225  -0.175   0.544
  235   2HB   MET  28          HB1       MET  28  19.088  -1.707   0.677
  236   1HG   MET  28          HG2       MET  28  17.265  -2.887  -0.419
  237   2HG   MET  28          HG1       MET  28  16.285  -1.421  -0.443
  238   1HE   MET  28          HE1       MET  28  15.829  -1.785  -2.840
  239   2HE   MET  28          HE2       MET  28  16.901  -3.160  -3.094
  240   3HE   MET  28          HE3       MET  28  16.996  -1.768  -4.168
  241    HA   PRO  29           HA       PRO  29  19.432  -1.066   5.590
  242   1HB   PRO  29          HB2       PRO  29  18.066  -2.424   7.532
  243   2HB   PRO  29          HB1       PRO  29  17.670  -0.767   7.045
  244   1HG   PRO  29          HG2       PRO  29  16.334  -3.320   6.334
  245   2HG   PRO  29          HG1       PRO  29  15.633  -1.721   6.625
  246   1HD   PRO  29          HD2       PRO  29  16.035  -2.809   4.133
  247   2HD   PRO  29          HD1       PRO  29  15.915  -1.068   4.463
  248    H    GLN  30           HN       GLN  30  20.410  -2.710   7.293
  249    HA   GLN  30           HA       GLN  30  21.515  -4.966   5.798
  250   1HB   GLN  30          HB2       GLN  30  21.846  -3.646   8.460
  251   2HB   GLN  30          HB1       GLN  30  22.429  -5.303   8.302
  252   1HG   GLN  30          HG2       GLN  30  23.140  -3.363   6.140
  253   2HG   GLN  30          HG1       GLN  30  23.985  -3.227   7.681
  254   1HE2  GLN  30          HE21      GLN  30  25.815  -4.537   7.851
  255   2HE2  GLN  30          HE22      GLN  30  26.078  -5.959   6.963
  256    H    LEU  31           HN       LEU  31  18.973  -4.533   8.201
  257    HA   LEU  31           HA       LEU  31  18.297  -7.429   7.951
  258   1HB   LEU  31          HB2       LEU  31  19.693  -6.491  10.070
  259   2HB   LEU  31          HB1       LEU  31  18.057  -6.152  10.632
  260    HG   LEU  31           HG       LEU  31  17.521  -8.584   9.927
  261   1HD1  LEU  31          HD11      LEU  31  19.585  -8.967   8.644
  262   2HD1  LEU  31          HD12      LEU  31  19.485 -10.096   9.995
  263   3HD1  LEU  31          HD13      LEU  31  20.550  -8.695  10.095
  264   1HD2  LEU  31          HD21      LEU  31  18.319  -9.435  12.099
  265   2HD2  LEU  31          HD22      LEU  31  17.678  -7.803  12.275
  266   3HD2  LEU  31          HD23      LEU  31  19.421  -8.066  12.238
  Start of MODEL   25
    1   1H    SER   1           HT1      SER   1 -17.031   0.751  -6.896
    2   2H    SER   1           HT2      SER   1 -17.894  -0.492  -7.666
    3   3H    SER   1           HT3      SER   1 -16.262  -0.717  -7.256
    4    HA   SER   1           HA       SER   1 -17.733  -1.887  -5.700
    5   1HB   SER   1          HB2       SER   1 -15.793   0.262  -5.097
    6   2HB   SER   1          HB1       SER   1 -16.768  -0.248  -3.723
    7    HG   SER   1           HG       SER   1 -14.700  -1.437  -4.348
    8    H    GLY   2           HN       GLY   2 -17.928   1.644  -5.006
    9   1HA   GLY   2          HA2       GLY   2 -20.789   1.761  -5.100
   10   2HA   GLY   2          HA1       GLY   2 -20.275   1.511  -3.434
   11    H    SER   3           HN       SER   3 -18.762   3.131  -2.516
   12    HA   SER   3           HA       SER   3 -19.356   5.854  -3.584
   13   1HB   SER   3          HB2       SER   3 -19.902   5.143  -1.226
   14   2HB   SER   3          HB1       SER   3 -18.174   4.968  -0.932
   15    HG   SER   3           HG       SER   3 -19.288   7.073  -0.425
   16    H    TRP   4           HN       TRP   4 -17.505   7.480  -3.243
   17    HA   TRP   4           HA       TRP   4 -15.128   6.566  -4.654
   18   1HB   TRP   4          HB2       TRP   4 -16.492   8.920  -4.348
   19   2HB   TRP   4          HB1       TRP   4 -15.112   9.189  -3.283
   20    HD1  TRP   4           HD1      TRP   4 -15.921   8.263  -6.928
   21    HE1  TRP   4           HE1      TRP   4 -13.919   8.937  -8.403
   22    HE3  TRP   4           HE3      TRP   4 -12.636   9.779  -3.323
   23    HZ2  TRP   4           HZ2      TRP   4 -11.273   9.983  -8.096
   24    HZ3  TRP   4           HZ3      TRP   4 -10.386  10.608  -3.941
   25    HH2  TRP   4           HH2      TRP   4  -9.701  10.712  -6.321
   26    H    LEU   5           HN       LEU   5 -15.987   6.414  -1.370
   27    HA   LEU   5           HA       LEU   5 -13.140   6.590  -0.468
   28   1HB   LEU   5          HB2       LEU   5 -15.786   7.246   0.633
   29   2HB   LEU   5          HB1       LEU   5 -14.770   6.349   1.761
   30    HG   LEU   5           HG       LEU   5 -13.764   8.763   0.241
   31   1HD1  LEU   5          HD11      LEU   5 -14.088   9.863   2.576
   32   2HD1  LEU   5          HD12      LEU   5 -15.250   8.567   2.857
   33   3HD1  LEU   5          HD13      LEU   5 -15.498   9.702   1.531
   34   1HD2  LEU   5          HD21      LEU   5 -12.829   7.225   2.683
   35   2HD2  LEU   5          HD22      LEU   5 -12.135   8.765   2.175
   36   3HD2  LEU   5          HD23      LEU   5 -12.009   7.352   1.127
   37    H    ARG   6           HN       ARG   6 -15.900   4.420  -0.799
   38    HA   ARG   6           HA       ARG   6 -14.814   2.308   0.895
   39   1HB   ARG   6          HB2       ARG   6 -17.262   2.887   0.113
   40   2HB   ARG   6          HB1       ARG   6 -16.839   1.913  -1.296
   41   1HG   ARG   6          HG2       ARG   6 -16.551  -0.037  -0.024
   42   2HG   ARG   6          HG1       ARG   6 -16.308   0.862   1.473
   43   1HD   ARG   6          HD2       ARG   6 -18.771   1.661   1.139
   44   2HD   ARG   6          HD1       ARG   6 -18.894   0.277   0.033
   45    HE   ARG   6           HE       ARG   6 -18.241  -1.192   1.910
   46   1HH1  ARG   6          HH11      ARG   6 -20.716   0.182   2.882
   47   2HH1  ARG   6          HH12      ARG   6 -20.237   0.739   4.450
   48   1HH2  ARG   6          HH21      ARG   6 -16.837   0.353   3.835
   49   2HH2  ARG   6          HH22      ARG   6 -18.032   0.837   4.992
   50    H    ASP   7           HN       ASP   7 -14.892   2.970  -2.623
   51    HA   ASP   7           HA       ASP   7 -13.677   0.495  -3.446
   52   1HB   ASP   7          HB2       ASP   7 -13.550   1.563  -5.569
   53   2HB   ASP   7          HB1       ASP   7 -14.950   2.297  -4.792
   54    H    ILE   8           HN       ILE   8 -12.332   3.569  -2.301
   55    HA   ILE   8           HA       ILE   8  -9.578   2.964  -3.036
   56    HB   ILE   8           HB       ILE   8 -10.939   4.935  -1.173
   57   1HG1  ILE   8          HG12      ILE   8  -9.498   5.263  -3.828
   58   2HG1  ILE   8          HG11      ILE   8 -11.248   5.248  -3.618
   59   1HG2  ILE   8          HG21      ILE   8  -8.622   6.079  -1.265
   60   2HG2  ILE   8          HG22      ILE   8  -8.005   4.500  -1.751
   61   3HG2  ILE   8          HG23      ILE   8  -8.797   4.695  -0.188
   62   1HD1  ILE   8          HD11      ILE   8 -10.855   7.179  -1.932
   63   2HD1  ILE   8          HD12      ILE   8 -10.714   7.547  -3.651
   64   3HD1  ILE   8          HD13      ILE   8  -9.262   7.314  -2.677
   65    H    TRP   9           HN       TRP   9 -11.618   2.428  -0.178
   66    HA   TRP   9           HA       TRP   9  -9.693   1.790   1.782
   67   1HB   TRP   9          HB2       TRP   9 -11.956   1.919   2.435
   68   2HB   TRP   9          HB1       TRP   9 -12.487   0.857   1.134
   69    HD1  TRP   9           HD1      TRP   9 -12.897  -1.564   1.776
   70    HE1  TRP   9           HE1      TRP   9 -12.243  -3.087   3.749
   71    HE3  TRP   9           HE3      TRP   9  -9.815   1.596   4.343
   72    HZ2  TRP   9           HZ2      TRP   9 -10.625  -2.980   6.107
   73    HZ3  TRP   9           HZ3      TRP   9  -8.731   0.861   6.446
   74    HH2  TRP   9           HH2      TRP   9  -9.132  -1.421   7.330
   75    H    ASP  10           HN       ASP  10 -11.255  -0.482  -0.533
   76    HA   ASP  10           HA       ASP  10  -9.735  -2.794   0.195
   77   1HB   ASP  10          HB2       ASP  10 -11.871  -2.521  -1.232
   78   2HB   ASP  10          HB1       ASP  10 -10.784  -2.144  -2.569
   79    H    TRP  11           HN       TRP  11  -9.153  -0.253  -2.250
   80    HA   TRP  11           HA       TRP  11  -6.822  -1.369  -3.462
   81   1HB   TRP  11          HB2       TRP  11  -8.216   0.585  -4.234
   82   2HB   TRP  11          HB1       TRP  11  -7.497   1.547  -2.942
   83    HD1  TRP  11           HD1      TRP  11  -6.326  -0.587  -5.948
   84    HE1  TRP  11           HE1      TRP  11  -4.196   0.495  -6.916
   85    HE3  TRP  11           HE3      TRP  11  -5.693   3.238  -2.627
   86    HZ2  TRP  11           HZ2      TRP  11  -2.454   2.694  -6.355
   87    HZ3  TRP  11           HZ3      TRP  11  -3.794   4.811  -2.867
   88    HH2  TRP  11           HH2      TRP  11  -2.173   4.544  -4.726
   89    H    ILE  12           HN       ILE  12  -7.227   0.656  -0.550
   90    HA   ILE  12           HA       ILE  12  -4.447   1.106   0.000
   91    HB   ILE  12           HB       ILE  12  -6.938   0.915   1.727
   92   1HG1  ILE  12          HG12      ILE  12  -5.370   3.410   1.141
   93   2HG1  ILE  12          HG11      ILE  12  -6.447   2.767  -0.099
   94   1HG2  ILE  12          HG21      ILE  12  -4.079   1.497   2.448
   95   2HG2  ILE  12          HG22      ILE  12  -5.286   0.574   3.342
   96   3HG2  ILE  12          HG23      ILE  12  -5.373   2.334   3.305
   97   1HD1  ILE  12          HD11      ILE  12  -8.358   3.004   1.275
   98   2HD1  ILE  12          HD12      ILE  12  -7.440   4.482   1.558
   99   3HD1  ILE  12          HD13      ILE  12  -7.390   3.173   2.739
  100    H    CYS  13           HN       CYS  13  -6.663  -1.566   0.785
  101    HA   CYS  13           HA       CYS  13  -4.941  -3.039   2.545
  102   1HB   CYS  13          HB2       CYS  13  -7.448  -3.302   2.001
  103   2HB   CYS  13          HB1       CYS  13  -6.931  -4.182   0.563
  104    HG   CYS  13           HG       CYS  13  -6.837  -5.245   3.428
  105    H    GLU  14           HN       GLU  14  -5.301  -2.994  -1.007
  106    HA   GLU  14           HA       GLU  14  -3.402  -5.127  -1.520
  107   1HB   GLU  14          HB2       GLU  14  -4.867  -2.989  -3.025
  108   2HB   GLU  14          HB1       GLU  14  -3.521  -3.796  -3.824
  109   1HG   GLU  14          HG2       GLU  14  -4.575  -5.877  -3.802
  110   2HG   GLU  14          HG1       GLU  14  -5.605  -5.450  -2.436
  111    H    VAL  15           HN       VAL  15  -3.258  -1.577  -1.586
  112    HA   VAL  15           HA       VAL  15  -0.500  -1.326  -2.353
  113    HB   VAL  15           HB       VAL  15  -2.448   0.448  -0.846
  114   1HG1  VAL  15          HG11      VAL  15   0.343   1.032  -1.873
  115   2HG1  VAL  15          HG12      VAL  15  -0.262   1.236  -0.229
  116   3HG1  VAL  15          HG13      VAL  15  -0.834   2.297  -1.516
  117   1HG2  VAL  15          HG21      VAL  15  -1.387   0.765  -3.658
  118   2HG2  VAL  15          HG22      VAL  15  -2.833   1.482  -2.945
  119   3HG2  VAL  15          HG23      VAL  15  -2.794  -0.242  -3.315
  120    H    LEU  16           HN       LEU  16  -2.058  -1.964   0.751
  121    HA   LEU  16           HA       LEU  16  -0.034  -1.184   2.573
  122   1HB   LEU  16          HB2       LEU  16  -2.344  -2.023   3.080
  123   2HB   LEU  16          HB1       LEU  16  -1.815  -3.648   2.649
  124    HG   LEU  16           HG       LEU  16  -0.007  -2.365   4.561
  125   1HD1  LEU  16          HD11      LEU  16  -2.088  -1.286   5.315
  126   2HD1  LEU  16          HD12      LEU  16  -1.561  -2.497   6.482
  127   3HD1  LEU  16          HD13      LEU  16  -2.888  -2.856   5.378
  128   1HD2  LEU  16          HD21      LEU  16  -0.569  -4.547   5.781
  129   2HD2  LEU  16          HD22      LEU  16   0.144  -4.721   4.177
  130   3HD2  LEU  16          HD23      LEU  16  -1.592  -4.940   4.398
  131    H    SER  17           HN       SER  17  -0.387  -4.251   0.746
  132    HA   SER  17           HA       SER  17   1.952  -5.551   1.810
  133   1HB   SER  17          HB2       SER  17   0.095  -6.657   0.575
  134   2HB   SER  17          HB1       SER  17   0.572  -5.804  -0.890
  135    HG   SER  17           HG       SER  17   1.934  -7.824   0.541
  136    H    ASP  18           HN       ASP  18   1.416  -3.417  -0.994
  137    HA   ASP  18           HA       ASP  18   4.116  -3.569  -2.029
  138   1HB   ASP  18          HB2       ASP  18   2.277  -2.874  -3.434
  139   2HB   ASP  18          HB1       ASP  18   1.827  -1.595  -2.305
  140    H    PHE  19           HN       PHE  19   2.455  -1.405   0.271
  141    HA   PHE  19           HA       PHE  19   4.307   0.675   0.561
  142   1HB   PHE  19          HB2       PHE  19   2.082  -0.409   1.920
  143   2HB   PHE  19          HB1       PHE  19   3.354  -0.276   3.131
  144    HD1  PHE  19           HD1      PHE  19   2.068   1.734   0.224
  145    HD2  PHE  19           HD2      PHE  19   3.444   1.738   4.294
  146    HE1  PHE  19           HE1      PHE  19   1.694   4.182   0.349
  147    HE2  PHE  19           HE2      PHE  19   3.071   4.185   4.418
  148    HZ   PHE  19           HZ       PHE  19   2.195   5.407   2.445
  149    H    LYS  20           HN       LYS  20   4.423  -2.578   2.036
  150    HA   LYS  20           HA       LYS  20   6.747  -2.220   3.659
  151   1HB   LYS  20          HB2       LYS  20   5.160  -4.136   3.726
  152   2HB   LYS  20          HB1       LYS  20   5.751  -4.665   2.150
  153   1HG   LYS  20          HG2       LYS  20   7.920  -4.211   4.063
  154   2HG   LYS  20          HG1       LYS  20   6.782  -5.442   4.613
  155   1HD   LYS  20          HD2       LYS  20   6.998  -6.305   2.120
  156   2HD   LYS  20          HD1       LYS  20   8.530  -5.430   2.177
  157   1HE   LYS  20          HE2       LYS  20   9.170  -6.700   4.218
  158   2HE   LYS  20          HE1       LYS  20   7.653  -7.614   4.105
  159   1HZ   LYS  20          HZ1       LYS  20   8.354  -8.073   1.718
  160   2HZ   LYS  20          HZ2       LYS  20   9.200  -8.902   2.935
  161   3HZ   LYS  20          HZ3       LYS  20   9.902  -7.553   2.178
  162    H    THR  21           HN       THR  21   6.393  -3.224   0.244
  163    HA   THR  21           HA       THR  21   9.279  -3.489  -0.189
  164    HB   THR  21           HB       THR  21   7.097  -3.173  -2.267
  165    HG1  THR  21           HG1      THR  21   7.745  -5.451  -0.706
  166   1HG2  THR  21          HG21      THR  21   9.763  -3.528  -2.575
  167   2HG2  THR  21          HG22      THR  21   8.567  -4.147  -3.714
  168   3HG2  THR  21          HG23      THR  21   9.240  -5.210  -2.478
  169    H    TRP  22           HN       TRP  22   6.759  -1.079  -0.931
  170    HA   TRP  22           HA       TRP  22   8.223   0.759  -2.502
  171   1HB   TRP  22          HB2       TRP  22   5.733   0.617  -1.617
  172   2HB   TRP  22          HB1       TRP  22   6.344   1.644  -0.323
  173    HD1  TRP  22           HD1      TRP  22   5.436   1.666  -3.986
  174    HE1  TRP  22           HE1      TRP  22   5.644   4.068  -4.902
  175    HE3  TRP  22           HE3      TRP  22   7.721   3.926  -0.019
  176    HZ2  TRP  22           HZ2      TRP  22   6.650   6.611  -4.061
  177    HZ3  TRP  22           HZ3      TRP  22   8.292   6.335  -0.101
  178    HH2  TRP  22           HH2      TRP  22   7.759   7.680  -2.115
  179    H    LEU  23           HN       LEU  23   7.885   0.630   1.057
  180    HA   LEU  23           HA       LEU  23   9.618   2.833   1.657
  181   1HB   LEU  23          HB2       LEU  23   8.362   0.526   3.034
  182   2HB   LEU  23          HB1       LEU  23   9.806   1.164   3.820
  183    HG   LEU  23           HG       LEU  23   7.994   3.272   2.882
  184   1HD1  LEU  23          HD11      LEU  23   6.556   2.696   5.069
  185   2HD1  LEU  23          HD12      LEU  23   6.982   1.050   4.597
  186   3HD1  LEU  23          HD13      LEU  23   6.108   2.091   3.474
  187   1HD2  LEU  23          HD21      LEU  23   8.372   4.036   5.241
  188   2HD2  LEU  23          HD22      LEU  23   9.872   3.714   4.371
  189   3HD2  LEU  23          HD23      LEU  23   9.263   2.544   5.542
  190    H    LYS  24           HN       LYS  24  10.279  -0.685   1.372
  191    HA   LYS  24           HA       LYS  24  13.077  -0.543   2.046
  192   1HB   LYS  24          HB2       LYS  24  11.505  -2.552   1.966
  193   2HB   LYS  24          HB1       LYS  24  11.680  -2.513   0.212
  194   1HG   LYS  24          HG2       LYS  24  14.303  -2.356   1.215
  195   2HG   LYS  24          HG1       LYS  24  13.501  -3.577   2.203
  196   1HD   LYS  24          HD2       LYS  24  13.092  -3.647  -0.764
  197   2HD   LYS  24          HD1       LYS  24  14.622  -4.235  -0.112
  198   1HE   LYS  24          HE2       LYS  24  12.101  -5.181   1.208
  199   2HE   LYS  24          HE1       LYS  24  12.534  -5.881  -0.363
  200   1HZ   LYS  24          HZ1       LYS  24  14.519  -5.585   1.818
  201   2HZ   LYS  24          HZ2       LYS  24  14.616  -6.560   0.429
  202   3HZ   LYS  24          HZ3       LYS  24  13.547  -6.969   1.684
  203    H    ALA  25           HN       ALA  25  11.293  -0.216  -1.015
  204    HA   ALA  25           HA       ALA  25  13.427  -0.325  -2.877
  205   1HB   ALA  25          HB1       ALA  25  11.845   0.608  -4.347
  206   2HB   ALA  25          HB2       ALA  25  11.148   1.635  -3.095
  207   3HB   ALA  25          HB3       ALA  25  10.820  -0.098  -3.098
  208    H    LYS  26           HN       LYS  26  12.366   2.344  -0.779
  209    HA   LYS  26           HA       LYS  26  14.433   4.142  -1.952
  210   1HB   LYS  26          HB2       LYS  26  12.044   4.855  -1.572
  211   2HB   LYS  26          HB1       LYS  26  12.309   4.648   0.160
  212   1HG   LYS  26          HG2       LYS  26  12.685   6.965  -0.261
  213   2HG   LYS  26          HG1       LYS  26  14.289   6.252  -0.100
  214   1HD   LYS  26          HD2       LYS  26  14.209   5.960  -2.668
  215   2HD   LYS  26          HD1       LYS  26  12.862   7.098  -2.621
  216   1HE   LYS  26          HE2       LYS  26  14.290   8.771  -1.496
  217   2HE   LYS  26          HE1       LYS  26  15.649   7.630  -1.521
  218   1HZ   LYS  26          HZ1       LYS  26  15.706   9.117  -3.446
  219   2HZ   LYS  26          HZ2       LYS  26  14.160   8.592  -3.913
  220   3HZ   LYS  26          HZ3       LYS  26  15.469   7.508  -3.928
  221    H    LEU  27           HN       LEU  27  13.807   2.160   0.868
  222    HA   LEU  27           HA       LEU  27  15.510   3.468   2.771
  223   1HB   LEU  27          HB2       LEU  27  13.754   1.375   2.750
  224   2HB   LEU  27          HB1       LEU  27  15.287   0.511   2.823
  225    HG   LEU  27           HG       LEU  27  15.852   2.279   4.699
  226   1HD1  LEU  27          HD11      LEU  27  13.697   2.730   6.005
  227   2HD1  LEU  27          HD12      LEU  27  12.831   2.311   4.527
  228   3HD1  LEU  27          HD13      LEU  27  13.932   3.689   4.544
  229   1HD2  LEU  27          HD21      LEU  27  15.763  -0.075   5.182
  230   2HD2  LEU  27          HD22      LEU  27  14.009  -0.109   4.994
  231   3HD2  LEU  27          HD23      LEU  27  14.733   0.721   6.372
  232    H    MET  28           HN       MET  28  16.164   0.742   0.510
  233    HA   MET  28           HA       MET  28  19.061   0.961   1.164
  234   1HB   MET  28          HB2       MET  28  17.199  -1.093   0.097
  235   2HB   MET  28          HB1       MET  28  18.840  -1.138  -0.549
  236   1HG   MET  28          HG2       MET  28  19.701  -1.888   1.406
  237   2HG   MET  28          HG1       MET  28  18.756  -0.744   2.357
  238   1HE   MET  28          HE1       MET  28  15.554  -2.386   3.247
  239   2HE   MET  28          HE2       MET  28  15.826  -1.166   2.006
  240   3HE   MET  28          HE3       MET  28  16.749  -1.108   3.506
  241    HA   PRO  29           HA       PRO  29  19.319   1.826  -3.437
  242   1HB   PRO  29          HB2       PRO  29  17.269   1.218  -5.142
  243   2HB   PRO  29          HB1       PRO  29  18.475   0.031  -4.620
  244   1HG   PRO  29          HG2       PRO  29  15.661   0.305  -3.844
  245   2HG   PRO  29          HG1       PRO  29  16.714  -1.113  -3.796
  246   1HD   PRO  29          HD2       PRO  29  15.959   0.556  -1.623
  247   2HD   PRO  29          HD1       PRO  29  17.105  -0.797  -1.609
  248    H    GLN  30           HN       GLN  30  17.795   3.110  -5.384
  249    HA   GLN  30           HA       GLN  30  16.736   5.464  -3.886
  250   1HB   GLN  30          HB2       GLN  30  17.807   4.931  -6.660
  251   2HB   GLN  30          HB1       GLN  30  16.943   6.424  -6.295
  252   1HG   GLN  30          HG2       GLN  30  18.632   7.242  -4.977
  253   2HG   GLN  30          HG1       GLN  30  19.077   5.645  -4.378
  254   1HE2  GLN  30          HE21      GLN  30  20.021   8.115  -6.544
  255   2HE2  GLN  30          HE22      GLN  30  21.140   7.216  -7.448
  256    H    LEU  31           HN       LEU  31  15.839   3.162  -6.461
  257    HA   LEU  31           HA       LEU  31  12.968   3.731  -5.934
  258   1HB   LEU  31          HB2       LEU  31  14.284   5.071  -7.906
  259   2HB   LEU  31          HB1       LEU  31  13.782   3.631  -8.793
  260    HG   LEU  31           HG       LEU  31  11.450   4.069  -7.703
  261   1HD1  LEU  31          HD11      LEU  31  12.084   5.789  -6.130
  262   2HD1  LEU  31          HD12      LEU  31  11.081   6.546  -7.367
  263   3HD1  LEU  31          HD13      LEU  31  12.832   6.750  -7.406
  264   1HD2  LEU  31          HD21      LEU  31  12.013   4.307 -10.124
  265   2HD2  LEU  31          HD22      LEU  31  12.519   5.968  -9.817
  266   3HD2  LEU  31          HD23      LEU  31  10.834   5.504  -9.589
  Start of MODEL   26
    1   1H    SER   1           HT1      SER   1 -22.595   5.176  -9.695
    2   2H    SER   1           HT2      SER   1 -21.559   4.887  -8.380
    3   3H    SER   1           HT3      SER   1 -22.624   6.210  -8.352
    4    HA   SER   1           HA       SER   1 -24.511   4.554  -8.486
    5   1HB   SER   1          HB2       SER   1 -22.808   2.829  -9.326
    6   2HB   SER   1          HB1       SER   1 -22.290   2.670  -7.650
    7    HG   SER   1           HG       SER   1 -23.908   1.151  -8.187
    8    H    GLY   2           HN       GLY   2 -21.746   4.054  -6.223
    9   1HA   GLY   2          HA2       GLY   2 -23.501   5.118  -4.044
   10   2HA   GLY   2          HA1       GLY   2 -22.478   3.702  -3.800
   11    H    SER   3           HN       SER   3 -21.140   4.610  -2.201
   12    HA   SER   3           HA       SER   3 -19.858   7.218  -2.587
   13   1HB   SER   3          HB2       SER   3 -18.634   6.371  -0.469
   14   2HB   SER   3          HB1       SER   3 -20.374   6.605  -0.356
   15    HG   SER   3           HG       SER   3 -20.558   4.550   0.018
   16    H    TRP   4           HN       TRP   4 -17.549   7.518  -2.852
   17    HA   TRP   4           HA       TRP   4 -16.266   5.351  -4.445
   18   1HB   TRP   4          HB2       TRP   4 -16.531   8.132  -4.681
   19   2HB   TRP   4          HB1       TRP   4 -14.845   7.888  -4.227
   20    HD1  TRP   4           HD1      TRP   4 -17.375   7.026  -6.954
   21    HE1  TRP   4           HE1      TRP   4 -16.100   6.208  -9.040
   22    HE3  TRP   4           HE3      TRP   4 -12.642   6.800  -5.060
   23    HZ2  TRP   4           HZ2      TRP   4 -13.423   5.547  -9.803
   24    HZ3  TRP   4           HZ3      TRP   4 -10.749   6.074  -6.484
   25    HH2  TRP   4           HH2      TRP   4 -11.133   5.448  -8.851
   26    H    LEU   5           HN       LEU   5 -15.984   7.007  -1.367
   27    HA   LEU   5           HA       LEU   5 -13.242   6.575  -0.748
   28   1HB   LEU   5          HB2       LEU   5 -15.570   7.528   0.493
   29   2HB   LEU   5          HB1       LEU   5 -15.073   6.165   1.493
   30    HG   LEU   5           HG       LEU   5 -14.000   8.194   2.315
   31   1HD1  LEU   5          HD11      LEU   5 -12.732   5.917   2.048
   32   2HD1  LEU   5          HD12      LEU   5 -11.818   7.362   2.478
   33   3HD1  LEU   5          HD13      LEU   5 -11.810   6.776   0.814
   34   1HD2  LEU   5          HD21      LEU   5 -14.125   9.326   0.014
   35   2HD2  LEU   5          HD22      LEU   5 -12.642   8.455  -0.377
   36   3HD2  LEU   5          HD23      LEU   5 -12.659   9.617   0.949
   37    H    ARG   6           HN       ARG   6 -16.066   4.420  -0.419
   38    HA   ARG   6           HA       ARG   6 -14.791   2.265   0.963
   39   1HB   ARG   6          HB2       ARG   6 -17.296   2.898  -0.086
   40   2HB   ARG   6          HB1       ARG   6 -16.797   1.503  -1.042
   41   1HG   ARG   6          HG2       ARG   6 -17.441   0.206   0.686
   42   2HG   ARG   6          HG1       ARG   6 -16.070   0.853   1.587
   43   1HD   ARG   6          HD2       ARG   6 -18.701   2.345   1.463
   44   2HD   ARG   6          HD1       ARG   6 -18.392   1.103   2.692
   45    HE   ARG   6           HE       ARG   6 -16.164   2.543   3.008
   46   1HH1  ARG   6          HH11      ARG   6 -17.617   4.699   1.319
   47   2HH1  ARG   6          HH12      ARG   6 -18.195   5.740   2.575
   48   1HH2  ARG   6          HH21      ARG   6 -17.681   3.412   5.103
   49   2HH2  ARG   6          HH22      ARG   6 -18.233   5.009   4.726
   50    H    ASP   7           HN       ASP   7 -15.060   3.019  -2.516
   51    HA   ASP   7           HA       ASP   7 -13.852   0.628  -3.533
   52   1HB   ASP   7          HB2       ASP   7 -15.101   2.134  -4.949
   53   2HB   ASP   7          HB1       ASP   7 -14.057   3.490  -4.523
   54    H    ILE   8           HN       ILE   8 -12.466   3.768  -2.541
   55    HA   ILE   8           HA       ILE   8  -9.744   3.187  -3.285
   56    HB   ILE   8           HB       ILE   8 -10.958   5.034  -1.194
   57   1HG1  ILE   8          HG12      ILE   8  -9.861   5.982  -3.807
   58   2HG1  ILE   8          HG11      ILE   8 -11.414   5.147  -3.843
   59   1HG2  ILE   8          HG21      ILE   8  -8.729   5.070  -0.573
   60   2HG2  ILE   8          HG22      ILE   8  -8.691   6.274  -1.861
   61   3HG2  ILE   8          HG23      ILE   8  -8.163   4.622  -2.182
   62   1HD1  ILE   8          HD11      ILE   8 -10.906   7.352  -1.855
   63   2HD1  ILE   8          HD12      ILE   8 -12.446   6.745  -2.459
   64   3HD1  ILE   8          HD13      ILE   8 -11.416   7.725  -3.501
   65    H    TRP   9           HN       TRP   9 -11.659   2.536  -0.362
   66    HA   TRP   9           HA       TRP   9  -9.593   1.840   1.455
   67   1HB   TRP   9          HB2       TRP   9 -12.078   2.113   1.865
   68   2HB   TRP   9          HB1       TRP   9 -12.308   0.521   1.142
   69    HD1  TRP   9           HD1      TRP   9 -12.677  -1.152   3.017
   70    HE1  TRP   9           HE1      TRP   9 -11.566  -1.658   5.286
   71    HE3  TRP   9           HE3      TRP   9  -9.298   2.672   3.221
   72    HZ2  TRP   9           HZ2      TRP   9  -9.516  -0.584   6.968
   73    HZ3  TRP   9           HZ3      TRP   9  -7.781   2.907   5.166
   74    HH2  TRP   9           HH2      TRP   9  -7.886   1.285   7.039
   75    H    ASP  10           HN       ASP  10 -11.221  -0.146  -1.032
   76    HA   ASP  10           HA       ASP  10  -9.996  -2.659  -0.409
   77   1HB   ASP  10          HB2       ASP  10 -11.942  -2.297  -1.907
   78   2HB   ASP  10          HB1       ASP  10 -10.895  -1.474  -3.063
   79    H    TRP  11           HN       TRP  11  -8.981   0.001  -2.570
   80    HA   TRP  11           HA       TRP  11  -6.580  -1.274  -3.544
   81   1HB   TRP  11          HB2       TRP  11  -7.663   0.585  -4.694
   82   2HB   TRP  11          HB1       TRP  11  -7.470   1.621  -3.281
   83    HD1  TRP  11           HD1      TRP  11  -5.457  -0.038  -6.083
   84    HE1  TRP  11           HE1      TRP  11  -3.180   1.155  -6.278
   85    HE3  TRP  11           HE3      TRP  11  -5.725   3.046  -2.024
   86    HZ2  TRP  11           HZ2      TRP  11  -1.671   3.156  -4.896
   87    HZ3  TRP  11           HZ3      TRP  11  -3.858   4.583  -1.485
   88    HH2  TRP  11           HH2      TRP  11  -1.833   4.642  -2.914
   89    H    ILE  12           HN       ILE  12  -7.266   0.868  -0.771
   90    HA   ILE  12           HA       ILE  12  -4.568   1.345   0.055
   91    HB   ILE  12           HB       ILE  12  -7.249   1.205   1.464
   92   1HG1  ILE  12          HG12      ILE  12  -5.483   3.613   1.021
   93   2HG1  ILE  12          HG11      ILE  12  -6.552   3.031  -0.256
   94   1HG2  ILE  12          HG21      ILE  12  -4.506   1.673   2.593
   95   2HG2  ILE  12          HG22      ILE  12  -5.876   0.820   3.306
   96   3HG2  ILE  12          HG23      ILE  12  -5.868   2.583   3.249
   97   1HD1  ILE  12          HD11      ILE  12  -7.553   3.587   2.542
   98   2HD1  ILE  12          HD12      ILE  12  -8.498   3.392   1.065
   99   3HD1  ILE  12          HD13      ILE  12  -7.510   4.835   1.296
  100    H    CYS  13           HN       CYS  13  -6.787  -1.366   0.655
  101    HA   CYS  13           HA       CYS  13  -5.085  -2.720   2.592
  102   1HB   CYS  13          HB2       CYS  13  -7.565  -2.969   2.346
  103   2HB   CYS  13          HB1       CYS  13  -7.305  -3.753   0.788
  104    HG   CYS  13           HG       CYS  13  -6.116  -5.724   2.023
  105    H    GLU  14           HN       GLU  14  -5.432  -2.786  -0.945
  106    HA   GLU  14           HA       GLU  14  -3.830  -5.161  -1.382
  107   1HB   GLU  14          HB2       GLU  14  -5.374  -3.290  -2.859
  108   2HB   GLU  14          HB1       GLU  14  -3.758  -3.271  -3.563
  109   1HG   GLU  14          HG2       GLU  14  -5.141  -5.882  -2.952
  110   2HG   GLU  14          HG1       GLU  14  -5.456  -5.023  -4.460
  111    H    VAL  15           HN       VAL  15  -3.136  -1.696  -1.216
  112    HA   VAL  15           HA       VAL  15  -0.324  -1.970  -1.976
  113    HB   VAL  15           HB       VAL  15  -1.861   0.280  -0.627
  114   1HG1  VAL  15          HG11      VAL  15   0.929  -0.050  -1.444
  115   2HG1  VAL  15          HG12      VAL  15   0.193   1.214  -0.459
  116   3HG1  VAL  15          HG13      VAL  15   0.167   1.339  -2.217
  117   1HG2  VAL  15          HG21      VAL  15  -1.897  -0.786  -3.334
  118   2HG2  VAL  15          HG22      VAL  15  -1.347   0.890  -3.321
  119   3HG2  VAL  15          HG23      VAL  15  -2.908   0.468  -2.618
  120    H    LEU  16           HN       LEU  16  -2.106  -2.367   0.982
  121    HA   LEU  16           HA       LEU  16  -0.379  -1.569   3.021
  122   1HB   LEU  16          HB2       LEU  16  -2.588  -2.546   3.362
  123   2HB   LEU  16          HB1       LEU  16  -2.041  -4.095   2.728
  124    HG   LEU  16           HG       LEU  16  -0.303  -3.188   4.874
  125   1HD1  LEU  16          HD11      LEU  16  -2.470  -2.068   5.555
  126   2HD1  LEU  16          HD12      LEU  16  -1.863  -3.255   6.711
  127   3HD1  LEU  16          HD13      LEU  16  -3.196  -3.674   5.634
  128   1HD2  LEU  16          HD21      LEU  16  -0.385  -5.496   4.120
  129   2HD2  LEU  16          HD22      LEU  16  -2.115  -5.585   4.450
  130   3HD2  LEU  16          HD23      LEU  16  -0.969  -5.439   5.783
  131    H    SER  17           HN       SER  17  -0.208  -4.654   1.185
  132    HA   SER  17           HA       SER  17   2.205  -5.574   2.532
  133   1HB   SER  17          HB2       SER  17   2.149  -7.229   0.617
  134   2HB   SER  17          HB1       SER  17   0.641  -7.131   1.519
  135    HG   SER  17           HG       SER  17   1.226  -6.397  -1.078
  136    H    ASP  18           HN       ASP  18   1.502  -3.934  -0.553
  137    HA   ASP  18           HA       ASP  18   4.115  -3.940  -1.682
  138   1HB   ASP  18          HB2       ASP  18   2.228  -3.331  -3.009
  139   2HB   ASP  18          HB1       ASP  18   1.706  -2.114  -1.847
  140    H    PHE  19           HN       PHE  19   2.628  -1.783   0.728
  141    HA   PHE  19           HA       PHE  19   4.440   0.359   0.775
  142   1HB   PHE  19          HB2       PHE  19   2.391  -0.778   2.384
  143   2HB   PHE  19          HB1       PHE  19   3.762  -0.482   3.449
  144    HD1  PHE  19           HD1      PHE  19   1.810   1.173   0.711
  145    HD2  PHE  19           HD2      PHE  19   4.094   1.669   4.314
  146    HE1  PHE  19           HE1      PHE  19   1.292   3.598   0.705
  147    HE2  PHE  19           HE2      PHE  19   3.576   4.095   4.308
  148    HZ   PHE  19           HZ       PHE  19   2.175   5.059   2.504
  149    H    LYS  20           HN       LYS  20   4.798  -2.870   2.252
  150    HA   LYS  20           HA       LYS  20   7.201  -2.407   3.723
  151   1HB   LYS  20          HB2       LYS  20   5.681  -4.387   3.861
  152   2HB   LYS  20          HB1       LYS  20   6.257  -4.907   2.277
  153   1HG   LYS  20          HG2       LYS  20   8.620  -4.500   3.631
  154   2HG   LYS  20          HG1       LYS  20   7.567  -5.108   4.909
  155   1HD   LYS  20          HD2       LYS  20   7.785  -6.464   2.214
  156   2HD   LYS  20          HD1       LYS  20   8.837  -6.877   3.568
  157   1HE   LYS  20          HE2       LYS  20   6.696  -7.229   4.944
  158   2HE   LYS  20          HE1       LYS  20   5.827  -7.176   3.398
  159   1HZ   LYS  20          HZ1       LYS  20   7.359  -8.882   2.552
  160   2HZ   LYS  20          HZ2       LYS  20   6.466  -9.438   3.886
  161   3HZ   LYS  20          HZ3       LYS  20   8.090  -8.981   4.080
  162    H    THR  21           HN       THR  21   6.707  -3.455   0.330
  163    HA   THR  21           HA       THR  21   9.607  -3.515  -0.188
  164    HB   THR  21           HB       THR  21   8.218  -3.665  -2.614
  165    HG1  THR  21           HG1      THR  21   6.361  -4.666  -2.245
  166   1HG2  THR  21          HG21      THR  21   8.633  -6.092  -2.397
  167   2HG2  THR  21          HG22      THR  21   8.953  -5.874  -0.676
  168   3HG2  THR  21          HG23      THR  21  10.026  -5.145  -1.871
  169    H    TRP  22           HN       TRP  22   6.833  -1.428  -1.027
  170    HA   TRP  22           HA       TRP  22   8.144   0.346  -2.825
  171   1HB   TRP  22          HB2       TRP  22   5.649   0.047  -1.829
  172   2HB   TRP  22          HB1       TRP  22   6.173   1.423  -0.861
  173    HD1  TRP  22           HD1      TRP  22   5.293   0.405  -4.403
  174    HE1  TRP  22           HE1      TRP  22   5.210   2.508  -5.892
  175    HE3  TRP  22           HE3      TRP  22   7.196   3.861  -1.159
  176    HZ2  TRP  22           HZ2      TRP  22   5.864   5.287  -5.730
  177    HZ3  TRP  22           HZ3      TRP  22   7.455   6.226  -1.853
  178    HH2  TRP  22           HH2      TRP  22   6.792   6.943  -4.131
  179    H    LEU  23           HN       LEU  23   7.720   0.624   0.725
  180    HA   LEU  23           HA       LEU  23   9.245   3.031   1.054
  181   1HB   LEU  23          HB2       LEU  23   8.234   0.781   2.741
  182   2HB   LEU  23          HB1       LEU  23   9.486   1.800   3.443
  183    HG   LEU  23           HG       LEU  23   7.216   2.631   3.993
  184   1HD1  LEU  23          HD11      LEU  23   7.655   4.917   3.536
  185   2HD1  LEU  23          HD12      LEU  23   8.497   4.540   2.034
  186   3HD1  LEU  23          HD13      LEU  23   9.245   4.154   3.585
  187   1HD2  LEU  23          HD21      LEU  23   6.036   1.863   1.982
  188   2HD2  LEU  23          HD22      LEU  23   6.975   2.974   0.985
  189   3HD2  LEU  23          HD23      LEU  23   5.832   3.605   2.170
  190    H    LYS  24           HN       LYS  24  10.190  -0.401   0.959
  191    HA   LYS  24           HA       LYS  24  12.889  -0.108   1.890
  192   1HB   LYS  24          HB2       LYS  24  11.584  -2.230   1.633
  193   2HB   LYS  24          HB1       LYS  24  11.700  -2.057  -0.118
  194   1HG   LYS  24          HG2       LYS  24  14.331  -1.768   0.958
  195   2HG   LYS  24          HG1       LYS  24  13.611  -3.208   1.676
  196   1HD   LYS  24          HD2       LYS  24  14.506  -4.074  -0.298
  197   2HD   LYS  24          HD1       LYS  24  12.850  -3.719  -0.788
  198   1HE   LYS  24          HE2       LYS  24  13.480  -1.923  -2.110
  199   2HE   LYS  24          HE1       LYS  24  14.880  -1.533  -1.092
  200   1HZ   LYS  24          HZ1       LYS  24  14.646  -3.977  -2.774
  201   2HZ   LYS  24          HZ2       LYS  24  16.001  -3.497  -1.867
  202   3HZ   LYS  24          HZ3       LYS  24  15.514  -2.590  -3.218
  203    H    ALA  25           HN       ALA  25  11.425   0.146  -1.354
  204    HA   ALA  25           HA       ALA  25  13.951   0.545  -2.751
  205   1HB   ALA  25          HB1       ALA  25  11.866  -0.378  -3.747
  206   2HB   ALA  25          HB2       ALA  25  12.442   1.035  -4.633
  207   3HB   ALA  25          HB3       ALA  25  11.083   1.186  -3.518
  208    H    LYS  26           HN       LYS  26  11.724   2.637  -1.027
  209    HA   LYS  26           HA       LYS  26  12.359   5.140  -2.284
  210   1HB   LYS  26          HB2       LYS  26  11.083   4.132   0.198
  211   2HB   LYS  26          HB1       LYS  26  11.688   5.785   0.278
  212   1HG   LYS  26          HG2       LYS  26  10.303   5.280  -2.236
  213   2HG   LYS  26          HG1       LYS  26   9.261   4.964  -0.849
  214   1HD   LYS  26          HD2       LYS  26  10.911   7.445  -0.749
  215   2HD   LYS  26          HD1       LYS  26   9.564   7.431  -1.887
  216   1HE   LYS  26          HE2       LYS  26   8.187   6.501   0.154
  217   2HE   LYS  26          HE1       LYS  26   9.497   7.212   1.117
  218   1HZ   LYS  26          HZ1       LYS  26   7.675   8.799   0.631
  219   2HZ   LYS  26          HZ2       LYS  26   8.020   8.656  -1.026
  220   3HZ   LYS  26          HZ3       LYS  26   9.176   9.311   0.033
  221    H    LEU  27           HN       LEU  27  14.277   3.122  -0.222
  222    HA   LEU  27           HA       LEU  27  15.817   4.938   1.289
  223   1HB   LEU  27          HB2       LEU  27  15.842   2.394   1.240
  224   2HB   LEU  27          HB1       LEU  27  16.849   2.506  -0.203
  225    HG   LEU  27           HG       LEU  27  17.749   4.163   2.080
  226   1HD1  LEU  27          HD11      LEU  27  18.613   2.349   3.389
  227   2HD1  LEU  27          HD12      LEU  27  18.126   1.160   2.181
  228   3HD1  LEU  27          HD13      LEU  27  16.903   2.005   3.131
  229   1HD2  LEU  27          HD21      LEU  27  19.076   2.210   0.172
  230   2HD2  LEU  27          HD22      LEU  27  19.939   3.196   1.352
  231   3HD2  LEU  27          HD23      LEU  27  19.064   3.968   0.030
  232    H    MET  28           HN       MET  28  16.103   4.082  -2.161
  233    HA   MET  28           HA       MET  28  18.265   6.141  -2.455
  234   1HB   MET  28          HB2       MET  28  18.466   3.574  -3.047
  235   2HB   MET  28          HB1       MET  28  17.569   4.038  -4.493
  236   1HG   MET  28          HG2       MET  28  19.287   5.820  -4.914
  237   2HG   MET  28          HG1       MET  28  20.218   5.180  -3.561
  238   1HE   MET  28          HE1       MET  28  21.410   5.142  -6.914
  239   2HE   MET  28          HE2       MET  28  22.497   3.990  -6.141
  240   3HE   MET  28          HE3       MET  28  21.906   5.379  -5.233
  241    HA   PRO  29           HA       PRO  29  14.563   7.978  -4.463
  242   1HB   PRO  29          HB2       PRO  29  15.212  10.568  -3.863
  243   2HB   PRO  29          HB1       PRO  29  14.336   9.501  -2.749
  244   1HG   PRO  29          HG2       PRO  29  17.205  10.278  -2.764
  245   2HG   PRO  29          HG1       PRO  29  16.113  10.016  -1.395
  246   1HD   PRO  29          HD2       PRO  29  17.984   8.199  -2.230
  247   2HD   PRO  29          HD1       PRO  29  16.498   7.768  -1.357
  248    H    GLN  30           HN       GLN  30  14.624  10.042  -6.028
  249    HA   GLN  30           HA       GLN  30  17.199  10.175  -7.535
  250   1HB   GLN  30          HB2       GLN  30  14.683   8.831  -8.289
  251   2HB   GLN  30          HB1       GLN  30  15.299   9.930  -9.525
  252   1HG   GLN  30          HG2       GLN  30  17.107   7.928  -8.170
  253   2HG   GLN  30          HG1       GLN  30  16.145   7.488  -9.581
  254   1HE2  GLN  30          HE21      GLN  30  16.614   8.637 -11.634
  255   2HE2  GLN  30          HE22      GLN  30  18.100   9.428 -11.850
  256    H    LEU  31           HN       LEU  31  13.775  11.284  -7.587
  257    HA   LEU  31           HA       LEU  31  14.704  13.961  -8.533
  258   1HB   LEU  31          HB2       LEU  31  12.077  12.460  -8.494
  259   2HB   LEU  31          HB1       LEU  31  12.150  14.182  -8.871
  260    HG   LEU  31           HG       LEU  31  13.963  12.262 -10.311
  261   1HD1  LEU  31          HD11      LEU  31  11.075  12.881 -11.008
  262   2HD1  LEU  31          HD12      LEU  31  11.720  11.304 -10.551
  263   3HD1  LEU  31          HD13      LEU  31  12.216  12.053 -12.069
  264   1HD2  LEU  31          HD21      LEU  31  14.254  14.731 -10.520
  265   2HD2  LEU  31          HD22      LEU  31  12.602  14.852 -11.122
  266   3HD2  LEU  31          HD23      LEU  31  13.817  13.978 -12.053
  Start of MODEL   27
    1   1H    SER   1           HT1      SER   1 -14.364   9.917  -6.376
    2   2H    SER   1           HT2      SER   1 -15.802   9.754  -5.486
    3   3H    SER   1           HT3      SER   1 -14.300   9.754  -4.690
    4    HA   SER   1           HA       SER   1 -13.936  12.076  -5.444
    5   1HB   SER   1          HB2       SER   1 -16.124  13.134  -6.299
    6   2HB   SER   1          HB1       SER   1 -15.282  12.062  -7.412
    7    HG   SER   1           HG       SER   1 -17.746  11.857  -6.686
    8    H    GLY   2           HN       GLY   2 -17.327  11.368  -4.491
    9   1HA   GLY   2          HA2       GLY   2 -16.805  12.806  -1.931
   10   2HA   GLY   2          HA1       GLY   2 -18.397  12.559  -2.649
   11    H    SER   3           HN       SER   3 -19.434  10.527  -2.381
   12    HA   SER   3           HA       SER   3 -18.605   9.032   0.008
   13   1HB   SER   3          HB2       SER   3 -20.758   7.785  -0.592
   14   2HB   SER   3          HB1       SER   3 -20.935   9.513  -0.305
   15    HG   SER   3           HG       SER   3 -21.220   8.041  -2.626
   16    H    TRP   4           HN       TRP   4 -16.500   8.454  -1.321
   17    HA   TRP   4           HA       TRP   4 -16.961   5.788  -2.615
   18   1HB   TRP   4          HB2       TRP   4 -16.279   8.060  -3.951
   19   2HB   TRP   4          HB1       TRP   4 -14.678   7.455  -3.528
   20    HD1  TRP   4           HD1      TRP   4 -17.926   6.227  -5.222
   21    HE1  TRP   4           HE1      TRP   4 -17.297   4.428  -6.959
   22    HE3  TRP   4           HE3      TRP   4 -12.903   5.886  -4.364
   23    HZ2  TRP   4           HZ2      TRP   4 -14.973   3.031  -7.865
   24    HZ3  TRP   4           HZ3      TRP   4 -11.508   4.312  -5.675
   25    HH2  TRP   4           HH2      TRP   4 -12.535   2.887  -7.422
   26    H    LEU   5           HN       LEU   5 -16.298   6.280   0.145
   27    HA   LEU   5           HA       LEU   5 -13.404   5.945   0.506
   28   1HB   LEU   5          HB2       LEU   5 -15.761   6.557   2.053
   29   2HB   LEU   5          HB1       LEU   5 -14.888   5.240   2.833
   30    HG   LEU   5           HG       LEU   5 -12.780   6.624   2.598
   31   1HD1  LEU   5          HD11      LEU   5 -13.045   9.022   2.173
   32   2HD1  LEU   5          HD12      LEU   5 -14.781   8.812   1.949
   33   3HD1  LEU   5          HD13      LEU   5 -13.651   8.104   0.794
   34   1HD2  LEU   5          HD21      LEU   5 -13.440   8.201   4.459
   35   2HD2  LEU   5          HD22      LEU   5 -13.895   6.520   4.743
   36   3HD2  LEU   5          HD23      LEU   5 -15.111   7.687   4.221
   37    H    ARG   6           HN       ARG   6 -16.304   3.870   0.691
   38    HA   ARG   6           HA       ARG   6 -15.046   1.483   1.627
   39   1HB   ARG   6          HB2       ARG   6 -17.577   2.394   0.629
   40   2HB   ARG   6          HB1       ARG   6 -17.172   0.889  -0.194
   41   1HG   ARG   6          HG2       ARG   6 -17.443  -0.346   1.688
   42   2HG   ARG   6          HG1       ARG   6 -16.583   0.830   2.683
   43   1HD   ARG   6          HD2       ARG   6 -18.722   2.295   2.442
   44   2HD   ARG   6          HD1       ARG   6 -19.511   0.785   1.941
   45    HE   ARG   6           HE       ARG   6 -18.814  -0.203   4.109
   46   1HH1  ARG   6          HH11      ARG   6 -16.630   1.584   4.934
   47   2HH1  ARG   6          HH12      ARG   6 -17.390   2.637   6.080
   48   1HH2  ARG   6          HH21      ARG   6 -20.617   1.856   5.049
   49   2HH2  ARG   6          HH22      ARG   6 -19.657   2.793   6.144
   50    H    ASP   7           HN       ASP   7 -15.451   2.772  -1.678
   51    HA   ASP   7           HA       ASP   7 -14.307   0.413  -2.973
   52   1HB   ASP   7          HB2       ASP   7 -15.798   2.675  -3.674
   53   2HB   ASP   7          HB1       ASP   7 -14.246   2.921  -4.473
   54    H    ILE   8           HN       ILE   8 -12.890   2.890  -1.151
   55    HA   ILE   8           HA       ILE   8 -10.347   2.863  -2.715
   56    HB   ILE   8           HB       ILE   8 -11.516   4.564  -0.498
   57   1HG1  ILE   8          HG12      ILE   8 -12.119   4.996  -2.902
   58   2HG1  ILE   8          HG11      ILE   8 -11.304   6.352  -2.124
   59   1HG2  ILE   8          HG21      ILE   8  -9.262   4.417   0.200
   60   2HG2  ILE   8          HG22      ILE   8  -9.306   5.882  -0.781
   61   3HG2  ILE   8          HG23      ILE   8  -8.660   4.387  -1.458
   62   1HD1  ILE   8          HD11      ILE   8 -10.345   5.988  -4.345
   63   2HD1  ILE   8          HD12      ILE   8 -10.017   4.300  -3.954
   64   3HD1  ILE   8          HD13      ILE   8  -9.148   5.585  -3.115
   65    H    TRP   9           HN       TRP   9 -11.783   1.950   0.399
   66    HA   TRP   9           HA       TRP   9  -9.467   1.295   1.884
   67   1HB   TRP   9          HB2       TRP   9 -12.241   1.099   2.111
   68   2HB   TRP   9          HB1       TRP   9 -11.697  -0.575   2.205
   69    HD1  TRP   9           HD1      TRP   9 -11.965  -0.952   4.750
   70    HE1  TRP   9           HE1      TRP   9 -10.831   0.037   6.842
   71    HE3  TRP   9           HE3      TRP   9  -9.474   2.988   2.638
   72    HZ2  TRP   9           HZ2      TRP   9  -9.103   2.205   7.532
   73    HZ3  TRP   9           HZ3      TRP   9  -8.097   4.493   4.040
   74    HH2  TRP   9           HH2      TRP   9  -7.906   4.107   6.482
   75    H    ASP  10           HN       ASP  10 -11.327  -0.789  -0.386
   76    HA   ASP  10           HA       ASP  10  -9.728  -3.144  -0.064
   77   1HB   ASP  10          HB2       ASP  10 -10.706  -3.734  -2.296
   78   2HB   ASP  10          HB1       ASP  10 -11.918  -3.119  -1.177
   79    H    TRP  11           HN       TRP  11  -9.318  -0.249  -2.070
   80    HA   TRP  11           HA       TRP  11  -7.030  -1.251  -3.567
   81   1HB   TRP  11          HB2       TRP  11  -8.633   0.577  -4.252
   82   2HB   TRP  11          HB1       TRP  11  -7.931   1.594  -2.995
   83    HD1  TRP  11           HD1      TRP  11  -6.708  -0.462  -6.039
   84    HE1  TRP  11           HE1      TRP  11  -4.743   0.808  -7.121
   85    HE3  TRP  11           HE3      TRP  11  -6.315   3.473  -2.808
   86    HZ2  TRP  11           HZ2      TRP  11  -3.207   3.181  -6.675
   87    HZ3  TRP  11           HZ3      TRP  11  -4.595   5.222  -3.159
   88    HH2  TRP  11           HH2      TRP  11  -3.041   5.081  -5.087
   89    H    ILE  12           HN       ILE  12  -7.503   0.668  -0.601
   90    HA   ILE  12           HA       ILE  12  -4.821   1.483  -0.110
   91    HB   ILE  12           HB       ILE  12  -7.112   0.670   1.715
   92   1HG1  ILE  12          HG12      ILE  12  -7.247   2.684   0.068
   93   2HG1  ILE  12          HG11      ILE  12  -7.701   2.950   1.749
   94   1HG2  ILE  12          HG21      ILE  12  -5.770   2.225   3.347
   95   2HG2  ILE  12          HG22      ILE  12  -4.391   1.787   2.338
   96   3HG2  ILE  12          HG23      ILE  12  -5.300   0.533   3.181
   97   1HD1  ILE  12          HD11      ILE  12  -5.715   4.101   2.235
   98   2HD1  ILE  12          HD12      ILE  12  -6.093   4.652   0.604
   99   3HD1  ILE  12          HD13      ILE  12  -4.866   3.412   0.852
  100    H    CYS  13           HN       CYS  13  -6.520  -1.563   0.635
  101    HA   CYS  13           HA       CYS  13  -4.407  -2.847   2.095
  102   1HB   CYS  13          HB2       CYS  13  -6.763  -3.570   2.072
  103   2HB   CYS  13          HB1       CYS  13  -6.650  -3.931   0.349
  104    HG   CYS  13           HG       CYS  13  -5.089  -5.920   0.874
  105    H    GLU  14           HN       GLU  14  -5.217  -2.709  -1.378
  106    HA   GLU  14           HA       GLU  14  -3.204  -4.552  -2.287
  107   1HB   GLU  14          HB2       GLU  14  -5.201  -2.713  -3.333
  108   2HB   GLU  14          HB1       GLU  14  -3.724  -2.640  -4.290
  109   1HG   GLU  14          HG2       GLU  14  -4.757  -4.419  -5.340
  110   2HG   GLU  14          HG1       GLU  14  -3.890  -5.297  -4.081
  111    H    VAL  15           HN       VAL  15  -3.262  -1.006  -1.950
  112    HA   VAL  15           HA       VAL  15  -0.562  -0.581  -2.925
  113    HB   VAL  15           HB       VAL  15  -2.409   1.078  -1.169
  114   1HG1  VAL  15          HG11      VAL  15  -0.402   2.181  -0.855
  115   2HG1  VAL  15          HG12      VAL  15  -0.888   2.911  -2.386
  116   3HG1  VAL  15          HG13      VAL  15   0.282   1.590  -2.370
  117   1HG2  VAL  15          HG21      VAL  15  -2.770   2.299  -3.369
  118   2HG2  VAL  15          HG22      VAL  15  -3.438   0.668  -3.312
  119   3HG2  VAL  15          HG23      VAL  15  -1.923   0.971  -4.160
  120    H    LEU  16           HN       LEU  16  -2.003  -1.098   0.289
  121    HA   LEU  16           HA       LEU  16   0.194  -0.457   1.956
  122   1HB   LEU  16          HB2       LEU  16  -2.149  -1.037   2.628
  123   2HB   LEU  16          HB1       LEU  16  -1.811  -2.722   2.236
  124    HG   LEU  16           HG       LEU  16   0.263  -1.662   3.958
  125   1HD1  LEU  16          HD11      LEU  16  -1.173  -1.392   5.986
  126   2HD1  LEU  16          HD12      LEU  16  -2.598  -1.455   4.949
  127   3HD1  LEU  16          HD13      LEU  16  -1.446  -0.129   4.787
  128   1HD2  LEU  16          HD21      LEU  16  -1.853  -3.786   4.437
  129   2HD2  LEU  16          HD22      LEU  16  -0.308  -3.635   5.274
  130   3HD2  LEU  16          HD23      LEU  16  -0.345  -4.061   3.564
  131    H    SER  17           HN       SER  17  -0.516  -3.486   0.193
  132    HA   SER  17           HA       SER  17   1.626  -5.067   1.251
  133   1HB   SER  17          HB2       SER  17  -0.018  -5.024  -1.277
  134   2HB   SER  17          HB1       SER  17   1.286  -6.196  -1.089
  135    HG   SER  17           HG       SER  17  -1.098  -5.889   0.375
  136    H    ASP  18           HN       ASP  18   1.455  -2.913  -1.604
  137    HA   ASP  18           HA       ASP  18   4.217  -3.350  -2.405
  138   1HB   ASP  18          HB2       ASP  18   2.474  -2.597  -3.962
  139   2HB   ASP  18          HB1       ASP  18   2.199  -1.152  -2.989
  140    H    PHE  19           HN       PHE  19   2.519  -1.007  -0.339
  141    HA   PHE  19           HA       PHE  19   4.512   0.955   0.034
  142   1HB   PHE  19          HB2       PHE  19   2.050   0.170   1.157
  143   2HB   PHE  19          HB1       PHE  19   3.176   0.205   2.510
  144    HD1  PHE  19           HD1      PHE  19   3.400   2.233   3.625
  145    HD2  PHE  19           HD2      PHE  19   2.425   2.247  -0.561
  146    HE1  PHE  19           HE1      PHE  19   3.288   4.710   3.658
  147    HE2  PHE  19           HE2      PHE  19   2.313   4.724  -0.525
  148    HZ   PHE  19           HZ       PHE  19   2.744   5.955   1.584
  149    H    LYS  20           HN       LYS  20   4.152  -2.232   1.597
  150    HA   LYS  20           HA       LYS  20   6.278  -2.030   3.494
  151   1HB   LYS  20          HB2       LYS  20   4.469  -3.801   3.273
  152   2HB   LYS  20          HB1       LYS  20   5.382  -4.472   1.921
  153   1HG   LYS  20          HG2       LYS  20   7.189  -4.064   4.109
  154   2HG   LYS  20          HG1       LYS  20   5.780  -4.940   4.707
  155   1HD   LYS  20          HD2       LYS  20   6.053  -6.445   2.630
  156   2HD   LYS  20          HD1       LYS  20   7.655  -5.721   2.471
  157   1HE   LYS  20          HE2       LYS  20   8.233  -7.494   3.841
  158   2HE   LYS  20          HE1       LYS  20   7.715  -6.365   5.108
  159   1HZ   LYS  20          HZ1       LYS  20   6.558  -8.482   5.323
  160   2HZ   LYS  20          HZ2       LYS  20   5.973  -8.351   3.733
  161   3HZ   LYS  20          HZ3       LYS  20   5.464  -7.250   4.924
  162    H    THR  21           HN       THR  21   6.263  -3.269   0.129
  163    HA   THR  21           HA       THR  21   9.110  -3.787   0.007
  164    HB   THR  21           HB       THR  21   7.214  -3.178  -2.280
  165    HG1  THR  21           HG1      THR  21   7.506  -5.558  -0.762
  166   1HG2  THR  21          HG21      THR  21   9.868  -3.829  -2.304
  167   2HG2  THR  21          HG22      THR  21   8.744  -4.201  -3.612
  168   3HG2  THR  21          HG23      THR  21   9.125  -5.426  -2.401
  169    H    TRP  22           HN       TRP  22   7.049  -1.020  -0.886
  170    HA   TRP  22           HA       TRP  22   8.914   0.601  -2.266
  171   1HB   TRP  22          HB2       TRP  22   6.369   0.847  -1.658
  172   2HB   TRP  22          HB1       TRP  22   6.968   1.684  -0.232
  173    HD1  TRP  22           HD1      TRP  22   6.519   2.072  -3.958
  174    HE1  TRP  22           HE1      TRP  22   7.213   4.456  -4.656
  175    HE3  TRP  22           HE3      TRP  22   8.642   3.683   0.396
  176    HZ2  TRP  22           HZ2      TRP  22   8.499   6.744  -3.517
  177    HZ3  TRP  22           HZ3      TRP  22   9.593   5.966   0.564
  178    HH2  TRP  22           HH2      TRP  22   9.524   7.497  -1.386
  179    H    LEU  23           HN       LEU  23   8.217   0.475   1.238
  180    HA   LEU  23           HA       LEU  23  10.248   2.346   2.049
  181   1HB   LEU  23          HB2       LEU  23   8.402   0.365   3.244
  182   2HB   LEU  23          HB1       LEU  23   9.852   0.678   4.197
  183    HG   LEU  23           HG       LEU  23   9.288   3.203   3.690
  184   1HD1  LEU  23          HD11      LEU  23   7.407   2.529   2.132
  185   2HD1  LEU  23          HD12      LEU  23   6.944   3.663   3.400
  186   3HD1  LEU  23          HD13      LEU  23   6.531   1.955   3.550
  187   1HD2  LEU  23          HD21      LEU  23   9.284   2.102   5.926
  188   2HD2  LEU  23          HD22      LEU  23   7.627   1.571   5.639
  189   3HD2  LEU  23          HD23      LEU  23   7.992   3.292   5.768
  190    H    LYS  24           HN       LYS  24  10.283  -1.171   1.513
  191    HA   LYS  24           HA       LYS  24  12.803  -1.795   2.706
  192   1HB   LYS  24          HB2       LYS  24  10.771  -3.092   1.335
  193   2HB   LYS  24          HB1       LYS  24  12.126  -3.212   0.212
  194   1HG   LYS  24          HG2       LYS  24  13.522  -4.232   1.911
  195   2HG   LYS  24          HG1       LYS  24  12.292  -3.961   3.145
  196   1HD   LYS  24          HD2       LYS  24  11.839  -6.170   2.605
  197   2HD   LYS  24          HD1       LYS  24  10.777  -5.349   1.461
  198   1HE   LYS  24          HE2       LYS  24  11.915  -6.869   0.066
  199   2HE   LYS  24          HE1       LYS  24  12.909  -5.409  -0.110
  200   1HZ   LYS  24          HZ1       LYS  24  13.371  -7.585   1.869
  201   2HZ   LYS  24          HZ2       LYS  24  14.314  -6.181   1.701
  202   3HZ   LYS  24          HZ3       LYS  24  14.276  -7.337   0.457
  203    H    ALA  25           HN       ALA  25  11.966  -0.612  -0.555
  204    HA   ALA  25           HA       ALA  25  14.700  -0.703  -1.569
  205   1HB   ALA  25          HB1       ALA  25  12.513  -0.807  -2.870
  206   2HB   ALA  25          HB2       ALA  25  13.694   0.341  -3.500
  207   3HB   ALA  25          HB3       ALA  25  12.328   0.917  -2.545
  208    H    LYS  26           HN       LYS  26  12.715   1.659   0.141
  209    HA   LYS  26           HA       LYS  26  14.216   4.035  -0.419
  210   1HB   LYS  26          HB2       LYS  26  11.908   3.732   0.627
  211   2HB   LYS  26          HB1       LYS  26  12.738   3.322   2.129
  212   1HG   LYS  26          HG2       LYS  26  14.030   5.633   1.400
  213   2HG   LYS  26          HG1       LYS  26  12.391   5.946   0.828
  214   1HD   LYS  26          HD2       LYS  26  11.496   5.930   2.948
  215   2HD   LYS  26          HD1       LYS  26  12.672   4.761   3.550
  216   1HE   LYS  26          HE2       LYS  26  14.420   6.501   3.582
  217   2HE   LYS  26          HE1       LYS  26  13.261   7.683   2.942
  218   1HZ   LYS  26          HZ1       LYS  26  12.955   6.145   5.472
  219   2HZ   LYS  26          HZ2       LYS  26  11.823   7.247   4.845
  220   3HZ   LYS  26          HZ3       LYS  26  13.347   7.791   5.361
  221    H    LEU  27           HN       LEU  27  14.905   1.305   1.670
  222    HA   LEU  27           HA       LEU  27  16.750   2.684   3.452
  223   1HB   LEU  27          HB2       LEU  27  15.545   0.095   3.081
  224   2HB   LEU  27          HB1       LEU  27  17.283  -0.115   3.275
  225    HG   LEU  27           HG       LEU  27  15.822   1.742   5.128
  226   1HD1  LEU  27          HD11      LEU  27  15.801  -1.278   5.192
  227   2HD1  LEU  27          HD12      LEU  27  14.440  -0.170   5.363
  228   3HD1  LEU  27          HD13      LEU  27  15.623  -0.320   6.662
  229   1HD2  LEU  27          HD21      LEU  27  18.289  -0.009   5.235
  230   2HD2  LEU  27          HD22      LEU  27  17.603   0.732   6.680
  231   3HD2  LEU  27          HD23      LEU  27  18.197   1.747   5.366
  232    H    MET  28           HN       MET  28  19.056   1.187   3.439
  233    HA   MET  28           HA       MET  28  21.116   0.813   2.354
  234   1HB   MET  28          HB2       MET  28  19.459  -0.270   0.689
  235   2HB   MET  28          HB1       MET  28  19.633   1.211  -0.252
  236   1HG   MET  28          HG2       MET  28  21.255  -0.294  -1.135
  237   2HG   MET  28          HG1       MET  28  22.159   0.830  -0.121
  238   1HE   MET  28          HE1       MET  28  23.989  -0.390  -0.113
  239   2HE   MET  28          HE2       MET  28  23.773  -2.070  -0.599
  240   3HE   MET  28          HE3       MET  28  24.393  -1.698   1.008
  241    HA   PRO  29           HA       PRO  29  22.301   5.049   1.831
  242   1HB   PRO  29          HB2       PRO  29  24.968   4.642   1.369
  243   2HB   PRO  29          HB1       PRO  29  24.234   4.518   2.977
  244   1HG   PRO  29          HG2       PRO  29  25.011   2.365   1.079
  245   2HG   PRO  29          HG1       PRO  29  25.137   2.413   2.845
  246   1HD   PRO  29          HD2       PRO  29  23.180   1.065   1.500
  247   2HD   PRO  29          HD1       PRO  29  22.984   1.705   3.145
  248    H    GLN  30           HN       GLN  30  23.881   6.242   0.140
  249    HA   GLN  30           HA       GLN  30  24.158   6.931  -2.098
  250   1HB   GLN  30          HB2       GLN  30  25.347   4.608  -1.849
  251   2HB   GLN  30          HB1       GLN  30  24.003   4.006  -2.820
  252   1HG   GLN  30          HG2       GLN  30  24.840   6.351  -4.120
  253   2HG   GLN  30          HG1       GLN  30  26.330   5.526  -3.661
  254   1HE2  GLN  30          HE21      GLN  30  23.186   4.928  -5.315
  255   2HE2  GLN  30          HE22      GLN  30  23.784   3.700  -6.324
  256    H    LEU  31           HN       LEU  31  21.600   7.333  -1.419
  257    HA   LEU  31           HA       LEU  31  20.002   6.228  -3.709
  258   1HB   LEU  31          HB2       LEU  31  19.642   6.052  -0.855
  259   2HB   LEU  31          HB1       LEU  31  18.311   6.978  -1.547
  260    HG   LEU  31           HG       LEU  31  18.153   5.103  -3.309
  261   1HD1  LEU  31          HD11      LEU  31  20.173   3.907  -3.014
  262   2HD1  LEU  31          HD12      LEU  31  18.956   2.878  -2.257
  263   3HD1  LEU  31          HD13      LEU  31  20.005   3.886  -1.259
  264   1HD2  LEU  31          HD21      LEU  31  17.556   4.248  -0.468
  265   2HD2  LEU  31          HD22      LEU  31  16.647   3.864  -1.929
  266   3HD2  LEU  31          HD23      LEU  31  16.630   5.506  -1.287
  Start of MODEL   28
    1   1H    SER   1           HT1      SER   1 -18.293  -6.655  -5.711
    2   2H    SER   1           HT2      SER   1 -19.147  -5.525  -4.773
    3   3H    SER   1           HT3      SER   1 -17.782  -5.039  -5.659
    4    HA   SER   1           HA       SER   1 -18.977  -5.613  -7.746
    5   1HB   SER   1          HB2       SER   1 -20.431  -7.230  -6.389
    6   2HB   SER   1          HB1       SER   1 -21.347  -5.819  -5.868
    7    HG   SER   1           HG       SER   1 -22.270  -6.739  -7.725
    8    H    GLY   2           HN       GLY   2 -20.708  -3.986  -5.033
    9   1HA   GLY   2          HA2       GLY   2 -20.500  -1.437  -6.590
   10   2HA   GLY   2          HA1       GLY   2 -21.964  -1.875  -5.709
   11    H    SER   3           HN       SER   3 -21.888  -0.103  -4.281
   12    HA   SER   3           HA       SER   3 -21.284   1.076  -2.341
   13   1HB   SER   3          HB2       SER   3 -21.495  -1.034  -1.257
   14   2HB   SER   3          HB1       SER   3 -20.007  -1.638  -1.975
   15    HG   SER   3           HG       SER   3 -19.296  -1.024  -0.053
   16    H    TRP   4           HN       TRP   4 -20.020   2.752  -3.222
   17    HA   TRP   4           HA       TRP   4 -17.385   2.586  -4.254
   18   1HB   TRP   4          HB2       TRP   4 -19.324   4.527  -3.711
   19   2HB   TRP   4          HB1       TRP   4 -17.941   5.025  -2.739
   20    HD1  TRP   4           HD1      TRP   4 -18.390   3.637  -6.337
   21    HE1  TRP   4           HE1      TRP   4 -16.902   5.029  -7.916
   22    HE3  TRP   4           HE3      TRP   4 -16.322   6.878  -2.974
   23    HZ2  TRP   4           HZ2      TRP   4 -15.078   7.229  -7.772
   24    HZ3  TRP   4           HZ3      TRP   4 -14.715   8.609  -3.721
   25    HH2  TRP   4           HH2      TRP   4 -14.091   8.789  -6.113
   26    H    LEU   5           HN       LEU   5 -18.506   2.790  -0.891
   27    HA   LEU   5           HA       LEU   5 -16.084   3.465   0.425
   28   1HB   LEU   5          HB2       LEU   5 -18.578   1.925   1.059
   29   2HB   LEU   5          HB1       LEU   5 -17.243   1.852   2.209
   30    HG   LEU   5           HG       LEU   5 -18.164   4.510   1.137
   31   1HD1  LEU   5          HD11      LEU   5 -19.329   3.049   3.529
   32   2HD1  LEU   5          HD12      LEU   5 -20.174   3.345   2.009
   33   3HD1  LEU   5          HD13      LEU   5 -19.710   4.699   3.038
   34   1HD2  LEU   5          HD21      LEU   5 -16.893   5.370   2.845
   35   2HD2  LEU   5          HD22      LEU   5 -16.062   3.821   2.701
   36   3HD2  LEU   5          HD23      LEU   5 -17.291   4.049   3.944
   37    H    ARG   6           HN       ARG   6 -17.318   0.264  -0.597
   38    HA   ARG   6           HA       ARG   6 -15.124  -1.290   0.437
   39   1HB   ARG   6          HB2       ARG   6 -17.478  -1.981  -0.375
   40   2HB   ARG   6          HB1       ARG   6 -16.804  -1.914  -2.004
   41   1HG   ARG   6          HG2       ARG   6 -14.974  -3.480  -1.186
   42   2HG   ARG   6          HG1       ARG   6 -15.923  -3.689   0.287
   43   1HD   ARG   6          HD2       ARG   6 -17.654  -4.810  -0.828
   44   2HD   ARG   6          HD1       ARG   6 -17.236  -4.093  -2.397
   45    HE   ARG   6           HE       ARG   6 -15.113  -5.495  -2.282
   46   1HH1  ARG   6          HH11      ARG   6 -17.842  -7.035  -2.500
   47   2HH1  ARG   6          HH12      ARG   6 -17.496  -8.385  -1.473
   48   1HH2  ARG   6          HH21      ARG   6 -14.678  -6.921  -0.060
   49   2HH2  ARG   6          HH22      ARG   6 -15.698  -8.319  -0.087
   50    H    ASP   7           HN       ASP   7 -15.717   0.308  -2.691
   51    HA   ASP   7           HA       ASP   7 -13.496  -0.710  -4.159
   52   1HB   ASP   7          HB2       ASP   7 -15.509   0.636  -4.942
   53   2HB   ASP   7          HB1       ASP   7 -14.710   2.068  -4.297
   54    H    ILE   8           HN       ILE   8 -13.735   1.960  -1.823
   55    HA   ILE   8           HA       ILE   8 -11.004   2.914  -2.307
   56    HB   ILE   8           HB       ILE   8 -13.056   3.448  -0.130
   57   1HG1  ILE   8          HG12      ILE   8 -12.329   5.407  -2.273
   58   2HG1  ILE   8          HG11      ILE   8 -13.374   4.056  -2.715
   59   1HG2  ILE   8          HG21      ILE   8 -11.514   5.661  -0.175
   60   2HG2  ILE   8          HG22      ILE   8 -10.301   4.464  -0.629
   61   3HG2  ILE   8          HG23      ILE   8 -11.182   4.296   0.890
   62   1HD1  ILE   8          HD11      ILE   8 -14.604   6.125  -1.936
   63   2HD1  ILE   8          HD12      ILE   8 -13.904   5.857  -0.339
   64   3HD1  ILE   8          HD13      ILE   8 -14.992   4.658  -1.038
   65    H    TRP   9           HN       TRP   9 -12.653   0.902   0.147
   66    HA   TRP   9           HA       TRP   9 -10.574   0.647   2.043
   67   1HB   TRP   9          HB2       TRP   9 -12.925  -0.170   2.237
   68   2HB   TRP   9          HB1       TRP   9 -12.543  -1.464   1.102
   69    HD1  TRP   9           HD1      TRP   9 -12.324  -3.607   2.457
   70    HE1  TRP   9           HE1      TRP   9 -11.086  -4.310   4.607
   71    HE3  TRP   9           HE3      TRP   9 -10.481   0.921   3.941
   72    HZ2  TRP   9           HZ2      TRP   9  -9.524  -3.111   6.680
   73    HZ3  TRP   9           HZ3      TRP   9  -9.123   1.111   6.003
   74    HH2  TRP   9           HH2      TRP   9  -8.642  -0.898   7.374
   75    H    ASP  10           HN       ASP  10 -11.184  -1.419  -0.839
   76    HA   ASP  10           HA       ASP  10  -8.928  -3.150  -0.487
   77   1HB   ASP  10          HB2       ASP  10 -10.718  -3.715  -1.997
   78   2HB   ASP  10          HB1       ASP  10 -10.517  -2.210  -2.895
   79    H    TRP  11           HN       TRP  11  -9.296  -0.058  -2.231
   80    HA   TRP  11           HA       TRP  11  -6.682   0.080  -3.384
   81   1HB   TRP  11          HB2       TRP  11  -8.610   1.496  -4.000
   82   2HB   TRP  11          HB1       TRP  11  -8.593   2.234  -2.401
   83    HD1  TRP  11           HD1      TRP  11  -6.774   2.235  -5.731
   84    HE1  TRP  11           HE1      TRP  11  -5.109   4.204  -5.782
   85    HE3  TRP  11           HE3      TRP  11  -7.076   3.772  -0.871
   86    HZ2  TRP  11           HZ2      TRP  11  -4.047   6.171  -3.996
   87    HZ3  TRP  11           HZ3      TRP  11  -5.730   5.692  -0.073
   88    HH2  TRP  11           HH2      TRP  11  -4.216   6.892  -1.627
   89    H    ILE  12           HN       ILE  12  -7.928   1.137  -0.205
   90    HA   ILE  12           HA       ILE  12  -5.534   2.424   0.726
   91    HB   ILE  12           HB       ILE  12  -7.851   1.020   2.102
   92   1HG1  ILE  12          HG12      ILE  12  -7.298   3.979   2.052
   93   2HG1  ILE  12          HG11      ILE  12  -8.065   3.207   0.664
   94   1HG2  ILE  12          HG21      ILE  12  -7.109   2.354   4.124
   95   2HG2  ILE  12          HG22      ILE  12  -5.600   2.679   3.272
   96   3HG2  ILE  12          HG23      ILE  12  -6.036   1.023   3.692
   97   1HD1  ILE  12          HD11      ILE  12  -9.669   4.131   2.405
   98   2HD1  ILE  12          HD12      ILE  12  -9.082   2.874   3.495
   99   3HD1  ILE  12          HD13      ILE  12  -9.901   2.432   1.997
  100    H    CYS  13           HN       CYS  13  -6.632  -0.960   0.787
  101    HA   CYS  13           HA       CYS  13  -4.490  -1.974   2.452
  102   1HB   CYS  13          HB2       CYS  13  -6.756  -3.008   1.952
  103   2HB   CYS  13          HB1       CYS  13  -6.143  -3.407   0.348
  104    HG   CYS  13           HG       CYS  13  -4.385  -4.983   1.444
  105    H    GLU  14           HN       GLU  14  -4.956  -1.668  -1.084
  106    HA   GLU  14           HA       GLU  14  -2.585  -3.076  -1.887
  107   1HB   GLU  14          HB2       GLU  14  -4.763  -1.692  -3.035
  108   2HB   GLU  14          HB1       GLU  14  -3.318  -0.886  -3.639
  109   1HG   GLU  14          HG2       GLU  14  -3.627  -2.613  -5.199
  110   2HG   GLU  14          HG1       GLU  14  -2.443  -3.303  -4.090
  111    H    VAL  15           HN       VAL  15  -3.193   0.344  -1.146
  112    HA   VAL  15           HA       VAL  15  -0.607   1.374  -1.855
  113    HB   VAL  15           HB       VAL  15  -2.695   2.241   0.180
  114   1HG1  VAL  15          HG11      VAL  15  -1.477   4.536  -0.418
  115   2HG1  VAL  15          HG12      VAL  15  -0.106   3.462  -0.698
  116   3HG1  VAL  15          HG13      VAL  15  -0.885   3.503   0.883
  117   1HG2  VAL  15          HG21      VAL  15  -2.307   3.802  -2.280
  118   2HG2  VAL  15          HG22      VAL  15  -3.798   3.203  -1.556
  119   3HG2  VAL  15          HG23      VAL  15  -2.832   2.146  -2.585
  120    H    LEU  16           HN       LEU  16  -1.896   0.000   1.177
  121    HA   LEU  16           HA       LEU  16   0.382   0.496   2.847
  122   1HB   LEU  16          HB2       LEU  16  -1.968  -0.221   3.489
  123   2HB   LEU  16          HB1       LEU  16  -1.556  -1.840   2.926
  124    HG   LEU  16           HG       LEU  16   0.473  -0.750   4.729
  125   1HD1  LEU  16          HD11      LEU  16  -2.268  -1.288   5.903
  126   2HD1  LEU  16          HD12      LEU  16  -1.637   0.335   5.623
  127   3HD1  LEU  16          HD13      LEU  16  -0.824  -0.743   6.758
  128   1HD2  LEU  16          HD21      LEU  16   0.216  -3.134   4.006
  129   2HD2  LEU  16          HD22      LEU  16  -1.301  -3.209   4.903
  130   3HD2  LEU  16          HD23      LEU  16   0.219  -2.948   5.759
  131    H    SER  17           HN       SER  17  -0.507  -2.292   0.788
  132    HA   SER  17           HA       SER  17   1.743  -3.962   1.389
  133   1HB   SER  17          HB2       SER  17   0.121  -3.674  -1.166
  134   2HB   SER  17          HB1       SER  17   1.083  -5.077  -0.713
  135    HG   SER  17           HG       SER  17  -1.421  -4.591  -0.105
  136    H    ASP  18           HN       ASP  18   1.233  -1.440  -1.081
  137    HA   ASP  18           HA       ASP  18   3.716  -1.747  -2.479
  138   1HB   ASP  18          HB2       ASP  18   1.902  -0.494  -3.435
  139   2HB   ASP  18          HB1       ASP  18   1.783   0.543  -2.014
  140    H    PHE  19           HN       PHE  19   2.785   0.283   0.316
  141    HA   PHE  19           HA       PHE  19   5.209   1.722   0.664
  142   1HB   PHE  19          HB2       PHE  19   2.756   1.340   1.970
  143   2HB   PHE  19          HB1       PHE  19   3.963   0.847   3.155
  144    HD1  PHE  19           HD1      PHE  19   5.756   2.420   3.858
  145    HD2  PHE  19           HD2      PHE  19   2.552   3.637   1.268
  146    HE1  PHE  19           HE1      PHE  19   6.299   4.798   4.306
  147    HE2  PHE  19           HE2      PHE  19   3.094   6.015   1.716
  148    HZ   PHE  19           HZ       PHE  19   4.966   6.596   3.234
  149    H    LYS  20           HN       LYS  20   4.252  -1.517   1.801
  150    HA   LYS  20           HA       LYS  20   6.585  -2.090   3.371
  151   1HB   LYS  20          HB2       LYS  20   4.459  -3.674   1.932
  152   2HB   LYS  20          HB1       LYS  20   5.802  -4.511   2.711
  153   1HG   LYS  20          HG2       LYS  20   5.169  -2.939   4.753
  154   2HG   LYS  20          HG1       LYS  20   3.600  -2.899   3.949
  155   1HD   LYS  20          HD2       LYS  20   3.769  -5.464   3.852
  156   2HD   LYS  20          HD1       LYS  20   5.090  -5.303   5.012
  157   1HE   LYS  20          HE2       LYS  20   3.330  -3.787   6.313
  158   2HE   LYS  20          HE1       LYS  20   2.164  -4.756   5.391
  159   1HZ   LYS  20          HZ1       LYS  20   2.749  -5.872   7.456
  160   2HZ   LYS  20          HZ2       LYS  20   4.396  -5.826   7.046
  161   3HZ   LYS  20          HZ3       LYS  20   3.313  -6.763   6.129
  162    H    THR  21           HN       THR  21   5.820  -2.659  -0.085
  163    HA   THR  21           HA       THR  21   8.332  -3.982  -0.698
  164    HB   THR  21           HB       THR  21   6.561  -2.435  -2.610
  165    HG1  THR  21           HG1      THR  21   5.002  -3.692  -2.029
  166   1HG2  THR  21          HG21      THR  21   7.226  -4.156  -4.183
  167   2HG2  THR  21          HG22      THR  21   8.045  -5.059  -2.908
  168   3HG2  THR  21          HG23      THR  21   8.677  -3.497  -3.429
  169    H    TRP  22           HN       TRP  22   7.185  -0.621  -0.803
  170    HA   TRP  22           HA       TRP  22   9.280   0.632  -2.230
  171   1HB   TRP  22          HB2       TRP  22   7.026   1.422  -1.038
  172   2HB   TRP  22          HB1       TRP  22   8.137   1.865   0.254
  173    HD1  TRP  22           HD1      TRP  22   7.331   2.647  -3.406
  174    HE1  TRP  22           HE1      TRP  22   8.410   4.906  -4.019
  175    HE3  TRP  22           HE3      TRP  22  10.018   3.519   0.847
  176    HZ2  TRP  22           HZ2      TRP  22  10.180   6.831  -2.855
  177    HZ3  TRP  22           HZ3      TRP  22  11.388   5.572   1.069
  178    HH2  TRP  22           HH2      TRP  22  11.473   7.227  -0.775
  179    H    LEU  23           HN       LEU  23   9.036   0.008   1.283
  180    HA   LEU  23           HA       LEU  23  11.704   0.980   1.890
  181   1HB   LEU  23          HB2       LEU  23   9.445  -0.414   3.252
  182   2HB   LEU  23          HB1       LEU  23  11.034  -0.571   4.002
  183    HG   LEU  23           HG       LEU  23  11.167   2.025   3.648
  184   1HD1  LEU  23          HD11      LEU  23   9.152   2.256   2.294
  185   2HD1  LEU  23          HD12      LEU  23   8.908   3.079   3.833
  186   3HD1  LEU  23          HD13      LEU  23   8.181   1.496   3.555
  187   1HD2  LEU  23          HD21      LEU  23  10.914   0.661   5.823
  188   2HD2  LEU  23          HD22      LEU  23   9.196   1.047   5.721
  189   3HD2  LEU  23          HD23      LEU  23  10.383   2.342   5.869
  190    H    LYS  24           HN       LYS  24  10.315  -2.245   1.225
  191    HA   LYS  24           HA       LYS  24  12.616  -3.815   1.906
  192   1HB   LYS  24          HB2       LYS  24  10.122  -4.076   0.294
  193   2HB   LYS  24          HB1       LYS  24  11.402  -5.237  -0.056
  194   1HG   LYS  24          HG2       LYS  24  11.030  -4.855   2.816
  195   2HG   LYS  24          HG1       LYS  24   9.558  -5.417   2.026
  196   1HD   LYS  24          HD2       LYS  24  10.576  -7.382   1.236
  197   2HD   LYS  24          HD1       LYS  24  12.203  -6.721   1.414
  198   1HE   LYS  24          HE2       LYS  24  11.457  -6.598   3.994
  199   2HE   LYS  24          HE1       LYS  24  10.424  -7.947   3.480
  200   1HZ   LYS  24          HZ1       LYS  24  13.355  -7.719   3.014
  201   2HZ   LYS  24          HZ2       LYS  24  12.370  -8.990   2.464
  202   3HZ   LYS  24          HZ3       LYS  24  12.608  -8.755   4.129
  203    H    ALA  25           HN       ALA  25  11.634  -2.196  -1.115
  204    HA   ALA  25           HA       ALA  25  13.784  -3.193  -2.759
  205   1HB   ALA  25          HB1       ALA  25  11.562  -2.101  -3.415
  206   2HB   ALA  25          HB2       ALA  25  12.977  -1.545  -4.309
  207   3HB   ALA  25          HB3       ALA  25  12.311  -0.556  -3.009
  208    H    LYS  26           HN       LYS  26  13.428  -0.317  -0.677
  209    HA   LYS  26           HA       LYS  26  15.826   1.050  -1.439
  210   1HB   LYS  26          HB2       LYS  26  13.935   0.981   0.877
  211   2HB   LYS  26          HB1       LYS  26  15.478   1.800   1.115
  212   1HG   LYS  26          HG2       LYS  26  15.018   3.103  -0.999
  213   2HG   LYS  26          HG1       LYS  26  13.400   2.400  -1.006
  214   1HD   LYS  26          HD2       LYS  26  13.023   4.393   0.141
  215   2HD   LYS  26          HD1       LYS  26  13.321   3.278   1.475
  216   1HE   LYS  26          HE2       LYS  26  15.860   4.025   1.051
  217   2HE   LYS  26          HE1       LYS  26  15.056   5.478   0.424
  218   1HZ   LYS  26          HZ1       LYS  26  15.279   5.798   2.746
  219   2HZ   LYS  26          HZ2       LYS  26  14.726   4.230   3.098
  220   3HZ   LYS  26          HZ3       LYS  26  13.649   5.397   2.491
  221    H    LEU  27           HN       LEU  27  15.233  -1.603   0.845
  222    HA   LEU  27           HA       LEU  27  17.689  -1.585   2.276
  223   1HB   LEU  27          HB2       LEU  27  15.496  -2.950   2.544
  224   2HB   LEU  27          HB1       LEU  27  16.217  -4.071   1.390
  225    HG   LEU  27           HG       LEU  27  17.897  -3.204   3.704
  226   1HD1  LEU  27          HD11      LEU  27  16.888  -4.768   5.219
  227   2HD1  LEU  27          HD12      LEU  27  15.814  -5.387   3.966
  228   3HD1  LEU  27          HD13      LEU  27  15.581  -3.759   4.601
  229   1HD2  LEU  27          HD21      LEU  27  17.644  -5.476   1.801
  230   2HD2  LEU  27          HD22      LEU  27  18.180  -5.886   3.430
  231   3HD2  LEU  27          HD23      LEU  27  19.093  -4.723   2.469
  232    H    MET  28           HN       MET  28  16.879  -2.949  -0.915
  233    HA   MET  28           HA       MET  28  19.352  -4.393  -1.297
  234   1HB   MET  28          HB2       MET  28  17.049  -4.543  -2.488
  235   2HB   MET  28          HB1       MET  28  17.624  -3.192  -3.466
  236   1HG   MET  28          HG2       MET  28  19.646  -4.541  -4.056
  237   2HG   MET  28          HG1       MET  28  18.951  -5.904  -3.178
  238   1HE   MET  28          HE1       MET  28  18.477  -7.631  -4.517
  239   2HE   MET  28          HE2       MET  28  17.160  -7.726  -5.684
  240   3HE   MET  28          HE3       MET  28  16.814  -7.307  -4.009
  241    HA   PRO  29           HA       PRO  29  21.813  -0.721  -1.994
  242   1HB   PRO  29          HB2       PRO  29  24.172  -2.022  -2.472
  243   2HB   PRO  29          HB1       PRO  29  23.511  -1.776  -0.846
  244   1HG   PRO  29          HG2       PRO  29  23.470  -4.201  -2.560
  245   2HG   PRO  29          HG1       PRO  29  23.654  -4.062  -0.805
  246   1HD   PRO  29          HD2       PRO  29  21.321  -4.781  -2.054
  247   2HD   PRO  29          HD1       PRO  29  21.403  -4.030  -0.445
  248    H    GLN  30           HN       GLN  30  23.604  -0.227  -3.808
  249    HA   GLN  30           HA       GLN  30  22.484  -1.178  -6.429
  250   1HB   GLN  30          HB2       GLN  30  22.706   1.384  -5.260
  251   2HB   GLN  30          HB1       GLN  30  23.937   1.329  -6.521
  252   1HG   GLN  30          HG2       GLN  30  21.900   0.200  -7.873
  253   2HG   GLN  30          HG1       GLN  30  20.971   1.204  -6.759
  254   1HE2  GLN  30          HE21      GLN  30  23.776   1.456  -9.020
  255   2HE2  GLN  30          HE22      GLN  30  23.449   3.058  -9.473
  256    H    LEU  31           HN       LEU  31  24.059  -1.331  -8.199
  257    HA   LEU  31           HA       LEU  31  26.901  -1.660  -7.287
  258   1HB   LEU  31          HB2       LEU  31  25.060  -3.445  -8.879
  259   2HB   LEU  31          HB1       LEU  31  26.808  -3.572  -9.071
  260    HG   LEU  31           HG       LEU  31  26.431  -3.482  -6.302
  261   1HD1  LEU  31          HD11      LEU  31  24.435  -5.397  -7.547
  262   2HD1  LEU  31          HD12      LEU  31  23.994  -3.883  -6.757
  263   3HD1  LEU  31          HD13      LEU  31  24.754  -5.175  -5.827
  264   1HD2  LEU  31          HD21      LEU  31  27.235  -5.776  -6.383
  265   2HD2  LEU  31          HD22      LEU  31  28.037  -4.860  -7.659
  266   3HD2  LEU  31          HD23      LEU  31  26.703  -5.945  -8.055
  Start of MODEL   29
    1   1H    SER   1           HT1      SER   1 -19.222   4.346 -11.609
    2   2H    SER   1           HT2      SER   1 -20.840   4.727 -11.251
    3   3H    SER   1           HT3      SER   1 -19.900   3.863 -10.130
    4    HA   SER   1           HA       SER   1 -18.483   5.773  -9.758
    5   1HB   SER   1          HB2       SER   1 -20.280   6.951 -11.902
    6   2HB   SER   1          HB1       SER   1 -19.076   7.866 -10.998
    7    HG   SER   1           HG       SER   1 -18.120   7.173 -12.881
    8    H    GLY   2           HN       GLY   2 -19.140   6.382  -7.739
    9   1HA   GLY   2          HA2       GLY   2 -21.172   8.079  -7.005
   10   2HA   GLY   2          HA1       GLY   2 -21.982   6.512  -7.053
   11    H    SER   3           HN       SER   3 -21.117   4.793  -5.653
   12    HA   SER   3           HA       SER   3 -20.082   5.899  -3.098
   13   1HB   SER   3          HB2       SER   3 -20.685   3.510  -2.371
   14   2HB   SER   3          HB1       SER   3 -22.021   4.507  -2.937
   15    HG   SER   3           HG       SER   3 -22.070   2.462  -3.918
   16    H    TRP   4           HN       TRP   4 -18.055   6.005  -4.945
   17    HA   TRP   4           HA       TRP   4 -16.448   3.567  -5.023
   18   1HB   TRP   4          HB2       TRP   4 -16.611   5.899  -6.452
   19   2HB   TRP   4          HB1       TRP   4 -15.177   6.204  -5.474
   20    HD1  TRP   4           HD1      TRP   4 -16.555   3.216  -7.534
   21    HE1  TRP   4           HE1      TRP   4 -14.585   2.160  -8.820
   22    HE3  TRP   4           HE3      TRP   4 -12.741   6.213  -5.928
   23    HZ2  TRP   4           HZ2      TRP   4 -11.769   2.536  -9.128
   24    HZ3  TRP   4           HZ3      TRP   4 -10.427   5.842  -6.736
   25    HH2  TRP   4           HH2      TRP   4  -9.937   4.009  -8.331
   26    H    LEU   5           HN       LEU   5 -16.898   6.091  -2.687
   27    HA   LEU   5           HA       LEU   5 -14.334   6.255  -1.459
   28   1HB   LEU   5          HB2       LEU   5 -17.165   6.425  -0.369
   29   2HB   LEU   5          HB1       LEU   5 -15.739   6.883   0.560
   30    HG   LEU   5           HG       LEU   5 -15.457   8.179  -1.928
   31   1HD1  LEU   5          HD11      LEU   5 -18.294   8.204  -0.888
   32   2HD1  LEU   5          HD12      LEU   5 -17.736   7.943  -2.541
   33   3HD1  LEU   5          HD13      LEU   5 -17.643   9.550  -1.823
   34   1HD2  LEU   5          HD21      LEU   5 -15.534  10.169  -0.594
   35   2HD2  LEU   5          HD22      LEU   5 -14.866   8.914   0.448
   36   3HD2  LEU   5          HD23      LEU   5 -16.554   9.398   0.620
   37    H    ARG   6           HN       ARG   6 -16.904   3.825  -1.158
   38    HA   ARG   6           HA       ARG   6 -15.613   2.400   1.054
   39   1HB   ARG   6          HB2       ARG   6 -18.092   2.391  -0.480
   40   2HB   ARG   6          HB1       ARG   6 -17.480   0.754  -0.261
   41   1HG   ARG   6          HG2       ARG   6 -18.834   1.173   1.654
   42   2HG   ARG   6          HG1       ARG   6 -17.172   1.361   2.213
   43   1HD   ARG   6          HD2       ARG   6 -18.527   3.808   1.147
   44   2HD   ARG   6          HD1       ARG   6 -19.031   3.221   2.744
   45    HE   ARG   6           HE       ARG   6 -16.240   4.002   2.020
   46   1HH1  ARG   6          HH21      ARG   6 -16.226   1.901   4.101
   47   2HH1  ARG   6          HH22      ARG   6 -16.335   2.813   5.569
   48   1HH2  ARG   6          HH11      ARG   6 -17.434   5.710   3.991
   49   2HH2  ARG   6          HH12      ARG   6 -17.023   4.980   5.506
   50    H    ASP   7           HN       ASP   7 -15.771   2.167  -2.474
   51    HA   ASP   7           HA       ASP   7 -14.490  -0.406  -2.747
   52   1HB   ASP   7          HB2       ASP   7 -15.874   0.680  -4.473
   53   2HB   ASP   7          HB1       ASP   7 -14.710   1.999  -4.593
   54    H    ILE   8           HN       ILE   8 -13.269   2.935  -2.526
   55    HA   ILE   8           HA       ILE   8 -10.569   2.427  -3.325
   56    HB   ILE   8           HB       ILE   8 -11.933   4.630  -2.906
   57   1HG1  ILE   8          HG12      ILE   8  -9.636   5.737  -2.181
   58   2HG1  ILE   8          HG11      ILE   8  -9.014   4.108  -2.439
   59   1HG2  ILE   8          HG21      ILE   8 -10.497   4.713  -0.291
   60   2HG2  ILE   8          HG22      ILE   8 -12.020   3.828  -0.348
   61   3HG2  ILE   8          HG23      ILE   8 -11.977   5.534  -0.788
   62   1HD1  ILE   8          HD11      ILE   8  -8.803   5.362  -4.513
   63   2HD1  ILE   8          HD12      ILE   8 -10.507   5.811  -4.454
   64   3HD1  ILE   8          HD13      ILE   8 -10.047   4.129  -4.720
   65    H    TRP   9           HN       TRP   9 -12.251   1.771  -0.301
   66    HA   TRP   9           HA       TRP   9 -10.078   1.652   1.518
   67   1HB   TRP   9          HB2       TRP   9 -12.527   1.473   2.028
   68   2HB   TRP   9          HB1       TRP   9 -12.511  -0.159   1.358
   69    HD1  TRP   9           HD1      TRP   9 -12.632  -1.738   3.363
   70    HE1  TRP   9           HE1      TRP   9 -11.328  -2.003   5.571
   71    HE3  TRP   9           HE3      TRP   9  -9.691   2.434   3.163
   72    HZ2  TRP   9           HZ2      TRP   9  -9.308  -0.628   7.057
   73    HZ3  TRP   9           HZ3      TRP   9  -8.087   2.930   4.983
   74    HH2  TRP   9           HH2      TRP   9  -7.893   1.406   6.929
   75    H    ASP  10           HN       ASP  10 -11.310  -0.857  -0.724
   76    HA   ASP  10           HA       ASP  10  -9.525  -2.955   0.089
   77   1HB   ASP  10          HB2       ASP  10 -11.481  -3.422  -1.242
   78   2HB   ASP  10          HB1       ASP  10 -10.980  -2.278  -2.487
   79    H    TRP  11           HN       TRP  11  -9.283  -0.505  -2.515
   80    HA   TRP  11           HA       TRP  11  -6.730  -1.268  -3.538
   81   1HB   TRP  11          HB2       TRP  11  -8.251   0.265  -4.677
   82   2HB   TRP  11          HB1       TRP  11  -8.160   1.405  -3.336
   83    HD1  TRP  11           HD1      TRP  11  -5.898  -0.159  -6.039
   84    HE1  TRP  11           HE1      TRP  11  -3.995   1.502  -6.556
   85    HE3  TRP  11           HE3      TRP  11  -6.900   3.437  -2.557
   86    HZ2  TRP  11           HZ2      TRP  11  -3.027   4.027  -5.615
   87    HZ3  TRP  11           HZ3      TRP  11  -5.475   5.456  -2.388
   88    HH2  TRP  11           HH2      TRP  11  -3.542   5.756  -3.910
   89    H    ILE  12           HN       ILE  12  -7.643   0.916  -0.866
   90    HA   ILE  12           HA       ILE  12  -5.050   1.935  -0.234
   91    HB   ILE  12           HB       ILE  12  -7.607   1.409   1.304
   92   1HG1  ILE  12          HG12      ILE  12  -6.290   4.061   0.742
   93   2HG1  ILE  12          HG11      ILE  12  -7.230   3.254  -0.512
   94   1HG2  ILE  12          HG21      ILE  12  -6.032   1.291   3.063
   95   2HG2  ILE  12          HG22      ILE  12  -6.507   2.989   3.042
   96   3HG2  ILE  12          HG23      ILE  12  -4.977   2.492   2.319
   97   1HD1  ILE  12          HD11      ILE  12  -8.246   3.936   2.265
   98   2HD1  ILE  12          HD12      ILE  12  -9.179   3.166   0.982
   99   3HD1  ILE  12          HD13      ILE  12  -8.627   4.830   0.792
  100    H    CYS  13           HN       CYS  13  -6.710  -1.075   0.697
  101    HA   CYS  13           HA       CYS  13  -4.719  -1.999   2.585
  102   1HB   CYS  13          HB2       CYS  13  -7.147  -2.732   2.287
  103   2HB   CYS  13          HB1       CYS  13  -6.614  -3.631   0.866
  104    HG   CYS  13           HG       CYS  13  -5.192  -5.166   2.375
  105    H    GLU  14           HN       GLU  14  -5.213  -2.428  -0.926
  106    HA   GLU  14           HA       GLU  14  -3.155  -4.366  -1.382
  107   1HB   GLU  14          HB2       GLU  14  -4.959  -2.630  -2.856
  108   2HB   GLU  14          HB1       GLU  14  -3.380  -2.687  -3.635
  109   1HG   GLU  14          HG2       GLU  14  -4.390  -4.546  -4.594
  110   2HG   GLU  14          HG1       GLU  14  -3.608  -5.288  -3.197
  111    H    VAL  15           HN       VAL  15  -3.135  -0.812  -1.432
  112    HA   VAL  15           HA       VAL  15  -0.406  -0.432  -2.223
  113    HB   VAL  15           HB       VAL  15  -2.295   1.213  -0.497
  114   1HG1  VAL  15          HG11      VAL  15  -0.266   2.248  -0.053
  115   2HG1  VAL  15          HG12      VAL  15  -0.713   3.073  -1.546
  116   3HG1  VAL  15          HG13      VAL  15   0.448   1.745  -1.586
  117   1HG2  VAL  15          HG21      VAL  15  -3.280   1.859  -2.428
  118   2HG2  VAL  15          HG22      VAL  15  -2.421   0.533  -3.209
  119   3HG2  VAL  15          HG23      VAL  15  -1.722   2.152  -3.202
  120    H    LEU  16           HN       LEU  16  -1.913  -1.147   0.898
  121    HA   LEU  16           HA       LEU  16   0.271  -0.529   2.635
  122   1HB   LEU  16          HB2       LEU  16  -2.188  -1.131   3.123
  123   2HB   LEU  16          HB1       LEU  16  -1.692  -2.815   2.945
  124    HG   LEU  16           HG       LEU  16   0.180  -2.202   4.651
  125   1HD1  LEU  16          HD11      LEU  16  -1.786   0.076   4.962
  126   2HD1  LEU  16          HD12      LEU  16  -0.041   0.175   4.731
  127   3HD1  LEU  16          HD13      LEU  16  -0.696  -0.415   6.257
  128   1HD2  LEU  16          HD21      LEU  16  -2.685  -2.226   5.642
  129   2HD2  LEU  16          HD22      LEU  16  -1.259  -2.846   6.475
  130   3HD2  LEU  16          HD23      LEU  16  -1.861  -3.662   5.032
  131    H    SER  17           HN       SER  17  -0.476  -3.414   0.680
  132    HA   SER  17           HA       SER  17   1.655  -5.071   1.755
  133   1HB   SER  17          HB2       SER  17  -0.385  -5.894   0.572
  134   2HB   SER  17          HB1       SER  17   0.189  -5.136  -0.910
  135    HG   SER  17           HG       SER  17   1.797  -6.965   0.524
  136    H    ASP  18           HN       ASP  18   1.331  -2.989  -1.141
  137    HA   ASP  18           HA       ASP  18   3.965  -3.478  -2.193
  138   1HB   ASP  18          HB2       ASP  18   2.062  -2.498  -3.448
  139   2HB   ASP  18          HB1       ASP  18   2.131  -1.065  -2.421
  140    H    PHE  19           HN       PHE  19   2.749  -1.366   0.357
  141    HA   PHE  19           HA       PHE  19   4.828   0.541   0.572
  142   1HB   PHE  19          HB2       PHE  19   2.629  -0.501   2.105
  143   2HB   PHE  19          HB1       PHE  19   4.020  -0.322   3.170
  144    HD1  PHE  19           HD1      PHE  19   5.343   1.930   2.989
  145    HD2  PHE  19           HD2      PHE  19   1.328   1.371   1.572
  146    HE1  PHE  19           HE1      PHE  19   4.982   4.382   3.047
  147    HE2  PHE  19           HE2      PHE  19   0.965   3.822   1.630
  148    HZ   PHE  19           HZ       PHE  19   2.792   5.329   2.367
  149    H    LYS  20           HN       LYS  20   4.693  -2.845   1.645
  150    HA   LYS  20           HA       LYS  20   7.054  -2.923   3.246
  151   1HB   LYS  20          HB2       LYS  20   5.225  -4.676   2.910
  152   2HB   LYS  20          HB1       LYS  20   6.008  -5.083   1.384
  153   1HG   LYS  20          HG2       LYS  20   6.833  -6.605   3.081
  154   2HG   LYS  20          HG1       LYS  20   8.137  -5.492   2.665
  155   1HD   LYS  20          HD2       LYS  20   7.932  -4.294   4.666
  156   2HD   LYS  20          HD1       LYS  20   6.273  -4.832   4.933
  157   1HE   LYS  20          HE2       LYS  20   7.312  -7.218   5.134
  158   2HE   LYS  20          HE1       LYS  20   8.839  -6.353   5.392
  159   1HZ   LYS  20          HZ1       LYS  20   7.782  -6.623   7.506
  160   2HZ   LYS  20          HZ2       LYS  20   6.309  -6.012   6.918
  161   3HZ   LYS  20          HZ3       LYS  20   7.656  -4.986   7.077
  162    H    THR  21           HN       THR  21   6.610  -3.575  -0.264
  163    HA   THR  21           HA       THR  21   9.449  -3.881  -0.805
  164    HB   THR  21           HB       THR  21   7.909  -2.987  -3.091
  165    HG1  THR  21           HG1      THR  21   6.068  -3.953  -2.821
  166   1HG2  THR  21          HG21      THR  21   9.659  -4.492  -3.486
  167   2HG2  THR  21          HG22      THR  21   8.228  -5.512  -3.634
  168   3HG2  THR  21          HG23      THR  21   9.183  -5.544  -2.152
  169    H    TRP  22           HN       TRP  22   7.128  -1.193  -1.021
  170    HA   TRP  22           HA       TRP  22   8.752   0.777  -2.262
  171   1HB   TRP  22          HB2       TRP  22   6.260   0.751  -1.564
  172   2HB   TRP  22          HB1       TRP  22   6.826   1.267   0.021
  173    HD1  TRP  22           HD1      TRP  22   6.304   2.492  -3.515
  174    HE1  TRP  22           HE1      TRP  22   6.793   5.022  -3.618
  175    HE3  TRP  22           HE3      TRP  22   8.315   3.191   1.125
  176    HZ2  TRP  22           HZ2      TRP  22   7.894   7.070  -1.951
  177    HZ3  TRP  22           HZ3      TRP  22   9.076   5.438   1.843
  178    HH2  TRP  22           HH2      TRP  22   8.868   7.377   0.311
  179    H    LEU  23           HN       LEU  23   8.271   0.131   1.227
  180    HA   LEU  23           HA       LEU  23  10.184   2.004   2.225
  181   1HB   LEU  23          HB2       LEU  23   8.876  -0.527   3.191
  182   2HB   LEU  23          HB1       LEU  23  10.155   0.200   4.163
  183    HG   LEU  23           HG       LEU  23   7.883   1.893   3.142
  184   1HD1  LEU  23          HD11      LEU  23   6.781   1.461   5.377
  185   2HD1  LEU  23          HD12      LEU  23   7.901   0.116   5.598
  186   3HD1  LEU  23          HD13      LEU  23   6.743   0.089   4.269
  187   1HD2  LEU  23          HD21      LEU  23  10.097   2.695   4.302
  188   2HD2  LEU  23          HD22      LEU  23   9.325   2.114   5.778
  189   3HD2  LEU  23          HD23      LEU  23   8.560   3.385   4.822
  190    H    LYS  24           HN       LYS  24  10.548  -1.354   1.083
  191    HA   LYS  24           HA       LYS  24  13.224  -1.826   1.982
  192   1HB   LYS  24          HB2       LYS  24  11.246  -3.183   0.630
  193   2HB   LYS  24          HB1       LYS  24  12.438  -2.933  -0.645
  194   1HG   LYS  24          HG2       LYS  24  13.876  -3.695   1.686
  195   2HG   LYS  24          HG1       LYS  24  12.515  -4.806   1.537
  196   1HD   LYS  24          HD2       LYS  24  14.066  -5.867   0.177
  197   2HD   LYS  24          HD1       LYS  24  13.247  -4.853  -1.010
  198   1HE   LYS  24          HE2       LYS  24  15.408  -3.397   0.314
  199   2HE   LYS  24          HE1       LYS  24  15.997  -4.861  -0.496
  200   1HZ   LYS  24          HZ1       LYS  24  15.845  -2.963  -2.026
  201   2HZ   LYS  24          HZ2       LYS  24  14.177  -2.852  -1.722
  202   3HZ   LYS  24          HZ3       LYS  24  14.815  -4.230  -2.487
  203    H    ALA  25           HN       ALA  25  11.946  -0.206  -0.918
  204    HA   ALA  25           HA       ALA  25  14.605   0.202  -2.111
  205   1HB   ALA  25          HB1       ALA  25  11.898   1.431  -2.741
  206   2HB   ALA  25          HB2       ALA  25  12.456  -0.116  -3.376
  207   3HB   ALA  25          HB3       ALA  25  13.296   1.371  -3.815
  208    H    LYS  26           HN       LYS  26  12.357   1.973  -0.047
  209    HA   LYS  26           HA       LYS  26  13.429   4.615  -0.325
  210   1HB   LYS  26          HB2       LYS  26  11.269   3.713   0.786
  211   2HB   LYS  26          HB1       LYS  26  12.281   3.414   2.201
  212   1HG   LYS  26          HG2       LYS  26  12.907   6.031   1.329
  213   2HG   LYS  26          HG1       LYS  26  11.148   5.906   1.285
  214   1HD   LYS  26          HD2       LYS  26  11.482   4.757   3.643
  215   2HD   LYS  26          HD1       LYS  26  13.008   5.641   3.622
  216   1HE   LYS  26          HE2       LYS  26  10.376   7.018   3.022
  217   2HE   LYS  26          HE1       LYS  26  11.005   6.872   4.674
  218   1HZ   LYS  26          HZ1       LYS  26  13.117   7.823   3.878
  219   2HZ   LYS  26          HZ2       LYS  26  11.819   8.903   3.687
  220   3HZ   LYS  26          HZ3       LYS  26  12.428   8.057   2.345
  221    H    LEU  27           HN       LEU  27  14.716   1.780   1.218
  222    HA   LEU  27           HA       LEU  27  16.266   2.792   3.344
  223   1HB   LEU  27          HB2       LEU  27  15.848   0.400   2.415
  224   2HB   LEU  27          HB1       LEU  27  17.236   0.719   1.374
  225    HG   LEU  27           HG       LEU  27  18.393   1.454   3.621
  226   1HD1  LEU  27          HD11      LEU  27  17.453  -0.247   5.408
  227   2HD1  LEU  27          HD12      LEU  27  15.957  -0.071   4.491
  228   3HD1  LEU  27          HD13      LEU  27  16.710   1.342   5.229
  229   1HD2  LEU  27          HD21      LEU  27  19.327  -0.739   3.801
  230   2HD2  LEU  27          HD22      LEU  27  18.866  -0.566   2.109
  231   3HD2  LEU  27          HD23      LEU  27  17.849  -1.496   3.209
  232    H    MET  28           HN       MET  28  16.816   3.050  -0.142
  233    HA   MET  28           HA       MET  28  19.584   3.758  -0.143
  234   1HB   MET  28          HB2       MET  28  17.204   3.967  -1.904
  235   2HB   MET  28          HB1       MET  28  18.507   5.098  -2.265
  236   1HG   MET  28          HG2       MET  28  19.988   3.426  -2.845
  237   2HG   MET  28          HG1       MET  28  19.251   2.252  -1.755
  238   1HE   MET  28          HE1       MET  28  18.662   0.294  -4.915
  239   2HE   MET  28          HE2       MET  28  19.312   0.379  -3.280
  240   3HE   MET  28          HE3       MET  28  20.096   1.273  -4.580
  241    HA   PRO  29           HA       PRO  29  19.659   7.889   1.348
  242   1HB   PRO  29          HB2       PRO  29  21.337   9.168  -0.408
  243   2HB   PRO  29          HB1       PRO  29  21.897   8.006   0.806
  244   1HG   PRO  29          HG2       PRO  29  21.433   7.617  -2.104
  245   2HG   PRO  29          HG1       PRO  29  22.707   6.962  -1.067
  246   1HD   PRO  29          HD2       PRO  29  20.533   5.527  -1.877
  247   2HD   PRO  29          HD1       PRO  29  21.417   5.208  -0.369
  248    H    GLN  30           HN       GLN  30  20.107   9.057  -1.950
  249    HA   GLN  30           HA       GLN  30  17.250   9.897  -2.115
  250   1HB   GLN  30          HB2       GLN  30  17.977  12.232  -2.493
  251   2HB   GLN  30          HB1       GLN  30  18.513  11.655  -0.917
  252   1HG   GLN  30          HG2       GLN  30  20.496  12.575  -1.663
  253   2HG   GLN  30          HG1       GLN  30  20.677  10.952  -2.324
  254   1HE2  GLN  30          HE21      GLN  30  18.863  13.904  -3.400
  255   2HE2  GLN  30          HE22      GLN  30  19.466  13.861  -4.985
  256    H    LEU  31           HN       LEU  31  17.015  11.186  -4.333
  257    HA   LEU  31           HA       LEU  31  18.499   9.628  -6.426
  258   1HB   LEU  31          HB2       LEU  31  16.014   9.276  -6.100
  259   2HB   LEU  31          HB1       LEU  31  15.775  10.959  -6.568
  260    HG   LEU  31           HG       LEU  31  17.489   9.476  -8.435
  261   1HD1  LEU  31          HD11      LEU  31  15.571   8.226  -9.443
  262   2HD1  LEU  31          HD12      LEU  31  14.601   8.640  -8.029
  263   3HD1  LEU  31          HD13      LEU  31  16.026   7.616  -7.851
  264   1HD2  LEU  31          HD21      LEU  31  16.579  11.708  -8.900
  265   2HD2  LEU  31          HD22      LEU  31  14.936  11.096  -8.712
  266   3HD2  LEU  31          HD23      LEU  31  15.933  10.545 -10.058
  Start of MODEL   30
    1   1H    SER   1           HT1      SER   1 -24.339   8.018   2.119
    2   2H    SER   1           HT2      SER   1 -23.241   9.206   1.601
    3   3H    SER   1           HT3      SER   1 -23.217   8.669   3.213
    4    HA   SER   1           HA       SER   1 -21.385   7.642   2.068
    5   1HB   SER   1          HB2       SER   1 -22.102   5.288   2.495
    6   2HB   SER   1          HB1       SER   1 -22.625   6.382   3.773
    7    HG   SER   1           HG       SER   1 -24.300   4.975   3.035
    8    H    GLY   2           HN       GLY   2 -20.749   6.073   0.336
    9   1HA   GLY   2          HA2       GLY   2 -22.227   5.051  -1.746
   10   2HA   GLY   2          HA1       GLY   2 -22.040   6.745  -2.202
   11    H    SER   3           HN       SER   3 -20.463   3.681  -1.945
   12    HA   SER   3           HA       SER   3 -18.233   2.984  -2.373
   13   1HB   SER   3          HB2       SER   3 -17.636   3.729  -4.699
   14   2HB   SER   3          HB1       SER   3 -19.291   3.151  -4.546
   15    HG   SER   3           HG       SER   3 -18.386   5.567  -5.303
   16    H    TRP   4           HN       TRP   4 -18.083   5.031  -0.433
   17    HA   TRP   4           HA       TRP   4 -15.840   6.775  -1.382
   18   1HB   TRP   4          HB2       TRP   4 -18.194   7.199   0.142
   19   2HB   TRP   4          HB1       TRP   4 -16.851   7.347   1.272
   20    HD1  TRP   4           HD1      TRP   4 -18.675   9.226  -1.327
   21    HE1  TRP   4           HE1      TRP   4 -17.428  11.406  -1.912
   22    HE3  TRP   4           HE3      TRP   4 -14.198   8.322   0.959
   23    HZ2  TRP   4           HZ2      TRP   4 -14.869  12.608  -1.466
   24    HZ3  TRP   4           HZ3      TRP   4 -12.376   9.999   0.863
   25    HH2  TRP   4           HH2      TRP   4 -12.706  12.139  -0.346
   26    H    LEU   5           HN       LEU   5 -16.691   5.432   1.831
   27    HA   LEU   5           HA       LEU   5 -13.846   4.807   2.331
   28   1HB   LEU   5          HB2       LEU   5 -15.602   5.869   3.922
   29   2HB   LEU   5          HB1       LEU   5 -16.220   4.228   4.112
   30    HG   LEU   5           HG       LEU   5 -13.633   3.701   4.527
   31   1HD1  LEU   5          HD11      LEU   5 -13.989   6.612   5.294
   32   2HD1  LEU   5          HD12      LEU   5 -12.799   5.941   4.178
   33   3HD1  LEU   5          HD13      LEU   5 -12.684   5.595   5.904
   34   1HD2  LEU   5          HD21      LEU   5 -14.088   3.909   6.943
   35   2HD2  LEU   5          HD22      LEU   5 -15.492   3.257   6.098
   36   3HD2  LEU   5          HD23      LEU   5 -15.470   4.949   6.598
   37    H    ARG   6           HN       ARG   6 -16.411   3.189   0.850
   38    HA   ARG   6           HA       ARG   6 -15.659   0.496   1.868
   39   1HB   ARG   6          HB2       ARG   6 -18.051   1.550   1.441
   40   2HB   ARG   6          HB1       ARG   6 -17.738   1.069  -0.227
   41   1HG   ARG   6          HG2       ARG   6 -16.975  -1.139   1.355
   42   2HG   ARG   6          HG1       ARG   6 -18.505  -0.578   2.028
   43   1HD   ARG   6          HD2       ARG   6 -18.974  -0.439  -0.700
   44   2HD   ARG   6          HD1       ARG   6 -17.986  -1.903  -0.545
   45    HE   ARG   6           HE       ARG   6 -19.898  -1.937   1.560
   46   1HH1  ARG   6          HH21      ARG   6 -19.597  -4.271  -0.187
   47   2HH1  ARG   6          HH22      ARG   6 -21.068  -4.283  -1.100
   48   1HH2  ARG   6          HH11      ARG   6 -21.865  -0.983  -0.348
   49   2HH2  ARG   6          HH12      ARG   6 -22.359  -2.412  -1.191
   50    H    ASP   7           HN       ASP   7 -15.118   2.598  -0.864
   51    HA   ASP   7           HA       ASP   7 -14.244   0.336  -2.601
   52   1HB   ASP   7          HB2       ASP   7 -15.669   1.919  -3.679
   53   2HB   ASP   7          HB1       ASP   7 -14.813   3.287  -2.970
   54    H    ILE   8           HN       ILE   8 -13.000   3.480  -1.400
   55    HA   ILE   8           HA       ILE   8 -10.344   3.274  -2.355
   56    HB   ILE   8           HB       ILE   8 -11.519   4.565   0.133
   57   1HG1  ILE   8          HG12      ILE   8 -10.743   5.805  -2.526
   58   2HG1  ILE   8          HG11      ILE   8 -12.373   5.231  -2.180
   59   1HG2  ILE   8          HG21      ILE   8  -9.280   4.721   0.666
   60   2HG2  ILE   8          HG22      ILE   8  -9.385   6.099  -0.429
   61   3HG2  ILE   8          HG23      ILE   8  -8.760   4.557  -1.012
   62   1HD1  ILE   8          HD11      ILE   8 -10.852   7.431  -0.763
   63   2HD1  ILE   8          HD12      ILE   8 -12.334   6.725  -0.118
   64   3HD1  ILE   8          HD13      ILE   8 -12.361   7.571  -1.665
   65    H    TRP   9           HN       TRP   9 -11.773   1.951   0.642
   66    HA   TRP   9           HA       TRP   9  -9.452   1.151   2.025
   67   1HB   TRP   9          HB2       TRP   9 -11.706   0.996   2.936
   68   2HB   TRP   9          HB1       TRP   9 -12.160  -0.184   1.707
   69    HD1  TRP   9           HD1      TRP   9 -12.458  -2.373   2.986
   70    HE1  TRP   9           HE1      TRP   9 -11.006  -3.768   4.596
   71    HE3  TRP   9           HE3      TRP   9  -8.553   0.850   3.681
   72    HZ2  TRP   9           HZ2      TRP   9  -8.521  -3.548   5.994
   73    HZ3  TRP   9           HZ3      TRP   9  -6.661   0.231   5.153
   74    HH2  TRP   9           HH2      TRP   9  -6.639  -1.961   6.311
   75    H    ASP  10           HN       ASP  10 -11.234  -0.674  -0.503
   76    HA   ASP  10           HA       ASP  10  -9.580  -3.002  -0.524
   77   1HB   ASP  10          HB2       ASP  10 -11.828  -2.659  -1.607
   78   2HB   ASP  10          HB1       ASP  10 -11.036  -1.664  -2.831
   79    H    TRP  11           HN       TRP  11  -9.361   0.043  -2.383
   80    HA   TRP  11           HA       TRP  11  -7.044  -0.669  -3.937
   81   1HB   TRP  11          HB2       TRP  11  -8.632   1.162  -4.454
   82   2HB   TRP  11          HB1       TRP  11  -8.124   2.015  -2.998
   83    HD1  TRP  11           HD1      TRP  11  -6.983   1.122  -6.513
   84    HE1  TRP  11           HE1      TRP  11  -4.898   2.522  -7.099
   85    HE3  TRP  11           HE3      TRP  11  -6.041   3.243  -1.965
   86    HZ2  TRP  11           HZ2      TRP  11  -3.072   4.307  -5.808
   87    HZ3  TRP  11           HZ3      TRP  11  -4.124   4.787  -1.670
   88    HH2  TRP  11           HH2      TRP  11  -2.640   5.321  -3.583
   89    H    ILE  12           HN       ILE  12  -7.450   0.915  -0.761
   90    HA   ILE  12           HA       ILE  12  -4.725   1.661  -0.312
   91    HB   ILE  12           HB       ILE  12  -7.049   0.889   1.479
   92   1HG1  ILE  12          HG12      ILE  12  -5.711   3.579   1.141
   93   2HG1  ILE  12          HG11      ILE  12  -6.983   3.038   0.044
   94   1HG2  ILE  12          HG21      ILE  12  -4.218   1.600   2.187
   95   2HG2  ILE  12          HG22      ILE  12  -5.307   0.447   2.961
   96   3HG2  ILE  12          HG23      ILE  12  -5.528   2.178   3.219
   97   1HD1  ILE  12          HD11      ILE  12  -8.599   2.962   1.765
   98   2HD1  ILE  12          HD12      ILE  12  -7.692   4.434   2.109
   99   3HD1  ILE  12          HD13      ILE  12  -7.375   2.967   3.035
  100    H    CYS  13           HN       CYS  13  -6.480  -1.389   0.305
  101    HA   CYS  13           HA       CYS  13  -4.317  -2.772   1.621
  102   1HB   CYS  13          HB2       CYS  13  -6.777  -3.347   1.606
  103   2HB   CYS  13          HB1       CYS  13  -6.591  -3.877  -0.066
  104    HG   CYS  13           HG       CYS  13  -5.872  -5.527   2.329
  105    H    GLU  14           HN       GLU  14  -5.279  -2.395  -1.784
  106    HA   GLU  14           HA       GLU  14  -3.495  -4.303  -2.956
  107   1HB   GLU  14          HB2       GLU  14  -5.304  -2.175  -3.709
  108   2HB   GLU  14          HB1       GLU  14  -3.834  -2.071  -4.673
  109   1HG   GLU  14          HG2       GLU  14  -4.174  -4.132  -5.671
  110   2HG   GLU  14          HG1       GLU  14  -5.088  -4.761  -4.298
  111    H    VAL  15           HN       VAL  15  -3.087  -0.949  -1.948
  112    HA   VAL  15           HA       VAL  15  -0.335  -0.778  -3.013
  113    HB   VAL  15           HB       VAL  15  -1.961   1.140  -1.304
  114   1HG1  VAL  15          HG11      VAL  15   0.522   1.438  -3.009
  115   2HG1  VAL  15          HG12      VAL  15   0.344   1.782  -1.289
  116   3HG1  VAL  15          HG13      VAL  15  -0.440   2.818  -2.480
  117   1HG2  VAL  15          HG21      VAL  15  -2.372   0.288  -4.010
  118   2HG2  VAL  15          HG22      VAL  15  -1.787   1.951  -4.041
  119   3HG2  VAL  15          HG23      VAL  15  -3.234   1.541  -3.121
  120    H    LEU  16           HN       LEU  16  -1.976  -1.402   0.040
  121    HA   LEU  16           HA       LEU  16  -0.001  -0.775   1.946
  122   1HB   LEU  16          HB2       LEU  16  -2.375  -1.604   2.269
  123   2HB   LEU  16          HB1       LEU  16  -1.785  -3.228   1.915
  124    HG   LEU  16           HG       LEU  16  -0.024  -2.724   3.784
  125   1HD1  LEU  16          HD11      LEU  16  -0.927  -1.197   5.527
  126   2HD1  LEU  16          HD12      LEU  16  -2.228  -0.739   4.427
  127   3HD1  LEU  16          HD13      LEU  16  -0.556  -0.342   4.030
  128   1HD2  LEU  16          HD21      LEU  16  -1.702  -4.442   4.052
  129   2HD2  LEU  16          HD22      LEU  16  -2.967  -3.238   4.302
  130   3HD2  LEU  16          HD23      LEU  16  -1.711  -3.464   5.519
  131    H    SER  17           HN       SER  17  -0.364  -3.825   0.084
  132    HA   SER  17           HA       SER  17   1.855  -5.218   1.226
  133   1HB   SER  17          HB2       SER  17   1.708  -6.464  -1.005
  134   2HB   SER  17          HB1       SER  17   0.209  -6.372  -0.087
  135    HG   SER  17           HG       SER  17  -0.180  -5.797  -2.228
  136    H    ASP  18           HN       ASP  18   1.655  -3.067  -1.627
  137    HA   ASP  18           HA       ASP  18   4.477  -3.296  -2.301
  138   1HB   ASP  18          HB2       ASP  18   2.704  -2.699  -3.914
  139   2HB   ASP  18          HB1       ASP  18   2.350  -1.237  -2.993
  140    H    PHE  19           HN       PHE  19   2.530  -1.089  -0.315
  141    HA   PHE  19           HA       PHE  19   4.284   1.065   0.087
  142   1HB   PHE  19          HB2       PHE  19   1.921   0.021   1.179
  143   2HB   PHE  19          HB1       PHE  19   3.022   0.132   2.549
  144    HD1  PHE  19           HD1      PHE  19   4.482   2.397   2.568
  145    HD2  PHE  19           HD2      PHE  19   0.661   1.908   0.666
  146    HE1  PHE  19           HE1      PHE  19   4.124   4.848   2.658
  147    HE2  PHE  19           HE2      PHE  19   0.304   4.360   0.756
  148    HZ   PHE  19           HZ       PHE  19   2.035   5.831   1.753
  149    H    LYS  20           HN       LYS  20   4.224  -2.067   1.823
  150    HA   LYS  20           HA       LYS  20   6.404  -1.520   3.608
  151   1HB   LYS  20          HB2       LYS  20   4.567  -3.438   3.409
  152   2HB   LYS  20          HB1       LYS  20   5.851  -4.266   2.527
  153   1HG   LYS  20          HG2       LYS  20   6.597  -2.964   5.107
  154   2HG   LYS  20          HG1       LYS  20   5.625  -4.431   5.199
  155   1HD   LYS  20          HD2       LYS  20   7.856  -4.604   3.284
  156   2HD   LYS  20          HD1       LYS  20   8.367  -4.381   4.957
  157   1HE   LYS  20          HE2       LYS  20   6.218  -6.403   4.414
  158   2HE   LYS  20          HE1       LYS  20   7.893  -6.828   4.011
  159   1HZ   LYS  20          HZ1       LYS  20   8.562  -6.128   6.238
  160   2HZ   LYS  20          HZ2       LYS  20   7.408  -7.371   6.318
  161   3HZ   LYS  20          HZ3       LYS  20   6.951  -5.765   6.628
  162    H    THR  21           HN       THR  21   6.315  -3.090   0.383
  163    HA   THR  21           HA       THR  21   9.154  -3.630   0.255
  164    HB   THR  21           HB       THR  21   7.219  -3.188  -2.040
  165    HG1  THR  21           HG1      THR  21   6.179  -4.874  -1.389
  166   1HG2  THR  21          HG21      THR  21   8.705  -4.356  -3.327
  167   2HG2  THR  21          HG22      THR  21   9.203  -5.395  -1.992
  168   3HG2  THR  21          HG23      THR  21   9.860  -3.765  -2.133
  169    H    TRP  22           HN       TRP  22   7.110  -0.919  -0.834
  170    HA   TRP  22           HA       TRP  22   8.993   0.562  -2.347
  171   1HB   TRP  22          HB2       TRP  22   6.456   0.888  -1.797
  172   2HB   TRP  22          HB1       TRP  22   7.036   1.805  -0.411
  173    HD1  TRP  22           HD1      TRP  22   6.539   2.025  -4.123
  174    HE1  TRP  22           HE1      TRP  22   7.298   4.342  -4.965
  175    HE3  TRP  22           HE3      TRP  22   8.877   3.766   0.071
  176    HZ2  TRP  22           HZ2      TRP  22   8.710   6.629  -3.988
  177    HZ3  TRP  22           HZ3      TRP  22   9.919   6.015   0.087
  178    HH2  TRP  22           HH2      TRP  22   9.838   7.448  -1.935
  179    H    LEU  23           HN       LEU  23   8.301   0.706   1.152
  180    HA   LEU  23           HA       LEU  23  10.399   2.617   1.762
  181   1HB   LEU  23          HB2       LEU  23   8.385   0.947   3.147
  182   2HB   LEU  23          HB1       LEU  23   9.819   1.310   4.106
  183    HG   LEU  23           HG       LEU  23   9.421   3.763   3.177
  184   1HD1  LEU  23          HD11      LEU  23   6.626   2.581   3.170
  185   2HD1  LEU  23          HD12      LEU  23   7.525   3.035   1.721
  186   3HD1  LEU  23          HD13      LEU  23   7.051   4.269   2.888
  187   1HD2  LEU  23          HD21      LEU  23   7.667   2.572   5.350
  188   2HD2  LEU  23          HD22      LEU  23   8.170   4.257   5.214
  189   3HD2  LEU  23          HD23      LEU  23   9.363   3.006   5.564
  190    H    LYS  24           HN       LYS  24  10.196  -0.950   1.844
  191    HA   LYS  24           HA       LYS  24  12.755  -1.368   3.135
  192   1HB   LYS  24          HB2       LYS  24  10.813  -3.005   1.510
  193   2HB   LYS  24          HB1       LYS  24  12.353  -3.695   2.020
  194   1HG   LYS  24          HG2       LYS  24  10.768  -2.277   4.106
  195   2HG   LYS  24          HG1       LYS  24  10.139  -3.827   3.548
  196   1HD   LYS  24          HD2       LYS  24  11.711  -4.952   4.699
  197   2HD   LYS  24          HD1       LYS  24  12.999  -3.999   3.965
  198   1HE   LYS  24          HE2       LYS  24  13.096  -2.515   5.735
  199   2HE   LYS  24          HE1       LYS  24  11.363  -2.665   6.087
  200   1HZ   LYS  24          HZ1       LYS  24  13.359  -4.828   6.509
  201   2HZ   LYS  24          HZ2       LYS  24  11.714  -4.867   6.936
  202   3HZ   LYS  24          HZ3       LYS  24  12.779  -3.812   7.740
  203    H    ALA  25           HN       ALA  25  11.735  -1.085  -0.263
  204    HA   ALA  25           HA       ALA  25  14.423  -1.761  -1.274
  205   1HB   ALA  25          HB1       ALA  25  11.929  -0.703  -2.644
  206   2HB   ALA  25          HB2       ALA  25  12.295  -2.410  -2.395
  207   3HB   ALA  25          HB3       ALA  25  13.320  -1.433  -3.445
  208    H    LYS  26           HN       LYS  26  12.890   1.080  -0.095
  209    HA   LYS  26           HA       LYS  26  14.551   2.882  -1.789
  210   1HB   LYS  26          HB2       LYS  26  12.123   3.292  -1.524
  211   2HB   LYS  26          HB1       LYS  26  12.336   3.404   0.224
  212   1HG   LYS  26          HG2       LYS  26  12.282   5.653  -0.681
  213   2HG   LYS  26          HG1       LYS  26  13.928   5.308  -0.155
  214   1HD   LYS  26          HD2       LYS  26  14.588   5.918  -2.228
  215   2HD   LYS  26          HD1       LYS  26  13.881   4.404  -2.789
  216   1HE   LYS  26          HE2       LYS  26  12.878   6.128  -4.131
  217   2HE   LYS  26          HE1       LYS  26  11.646   5.686  -2.932
  218   1HZ   LYS  26          HZ1       LYS  26  12.055   8.123  -3.100
  219   2HZ   LYS  26          HZ2       LYS  26  13.635   7.861  -2.535
  220   3HZ   LYS  26          HZ3       LYS  26  12.302   7.494  -1.546
  221    H    LEU  27           HN       LEU  27  13.776   2.412   1.699
  222    HA   LEU  27           HA       LEU  27  16.502   3.514   2.328
  223   1HB   LEU  27          HB2       LEU  27  14.030   4.612   2.882
  224   2HB   LEU  27          HB1       LEU  27  14.389   3.743   4.373
  225    HG   LEU  27           HG       LEU  27  15.245   6.045   4.488
  226   1HD1  LEU  27          HD11      LEU  27  17.556   4.116   4.149
  227   2HD1  LEU  27          HD12      LEU  27  16.493   4.121   5.556
  228   3HD1  LEU  27          HD13      LEU  27  17.489   5.532   5.199
  229   1HD2  LEU  27          HD21      LEU  27  17.095   5.312   2.206
  230   2HD2  LEU  27          HD22      LEU  27  16.872   6.895   2.951
  231   3HD2  LEU  27          HD23      LEU  27  15.589   6.196   1.962
  232    H    MET  28           HN       MET  28  13.867   1.428   3.601
  233    HA   MET  28           HA       MET  28  13.947  -0.512   4.937
  234   1HB   MET  28          HB2       MET  28  15.667  -0.796   2.863
  235   2HB   MET  28          HB1       MET  28  16.800  -0.955   4.204
  236   1HG   MET  28          HG2       MET  28  15.045  -2.608   5.190
  237   2HG   MET  28          HG1       MET  28  14.411  -2.666   3.544
  238   1HE   MET  28          HE1       MET  28  16.984  -4.219   5.972
  239   2HE   MET  28          HE2       MET  28  17.544  -2.586   5.622
  240   3HE   MET  28          HE3       MET  28  18.502  -3.970   5.100
  241    HA   PRO  29           HA       PRO  29  16.552   1.835   8.051
  242   1HB   PRO  29          HB2       PRO  29  14.499   2.759   9.611
  243   2HB   PRO  29          HB1       PRO  29  15.137   3.654   8.220
  244   1HG   PRO  29          HG2       PRO  29  12.669   2.023   8.452
  245   2HG   PRO  29          HG1       PRO  29  12.961   3.509   7.537
  246   1HD   PRO  29          HD2       PRO  29  12.893   0.987   6.439
  247   2HD   PRO  29          HD1       PRO  29  13.724   2.381   5.717
  248    H    GLN  30           HN       GLN  30  15.650   1.676  10.711
  249    HA   GLN  30           HA       GLN  30  16.198  -1.001  11.469
  250   1HB   GLN  30          HB2       GLN  30  15.901   1.439  12.684
  251   2HB   GLN  30          HB1       GLN  30  14.465   0.595  13.263
  252   1HG   GLN  30          HG2       GLN  30  16.834  -1.108  13.349
  253   2HG   GLN  30          HG1       GLN  30  17.038   0.356  14.311
  254   1HE2  GLN  30          HE21      GLN  30  14.844   0.870  15.648
  255   2HE2  GLN  30          HE22      GLN  30  14.193  -0.474  16.454
  256    H    LEU  31           HN       LEU  31  14.809  -2.698  12.220
  257    HA   LEU  31           HA       LEU  31  12.917  -4.098  12.128
  258   1HB   LEU  31          HB2       LEU  31  11.822  -1.320  12.596
  259   2HB   LEU  31          HB1       LEU  31  10.743  -2.711  12.506
  260    HG   LEU  31           HG       LEU  31  13.150  -2.920  14.270
  261   1HD1  LEU  31          HD11      LEU  31  12.239  -0.714  14.842
  262   2HD1  LEU  31          HD12      LEU  31  11.881  -1.868  16.126
  263   3HD1  LEU  31          HD13      LEU  31  10.621  -1.402  14.983
  264   1HD2  LEU  31          HD21      LEU  31  10.268  -3.810  14.609
  265   2HD2  LEU  31          HD22      LEU  31  11.657  -4.337  15.559
  266   3HD2  LEU  31          HD23      LEU  31  11.524  -4.798  13.862
  Start of MODEL   31
    1   1H    SER   1           HT1      SER   1 -27.143   0.116   2.296
    2   2H    SER   1           HT2      SER   1 -25.677   0.975   2.373
    3   3H    SER   1           HT3      SER   1 -25.805  -0.408   1.396
    4    HA   SER   1           HA       SER   1 -27.328   0.695  -0.092
    5   1HB   SER   1          HB2       SER   1 -27.041   2.946   1.926
    6   2HB   SER   1          HB1       SER   1 -27.989   3.022   0.443
    7    HG   SER   1           HG       SER   1 -29.385   2.440   2.050
    8    H    GLY   2           HN       GLY   2 -26.231   1.431  -1.896
    9   1HA   GLY   2          HA2       GLY   2 -24.624   2.601  -3.176
   10   2HA   GLY   2          HA1       GLY   2 -24.054   3.370  -1.695
   11    H    SER   3           HN       SER   3 -21.869   2.907  -2.595
   12    HA   SER   3           HA       SER   3 -20.844   0.339  -1.565
   13   1HB   SER   3          HB2       SER   3 -21.740   0.097  -3.987
   14   2HB   SER   3          HB1       SER   3 -20.349   1.072  -4.456
   15    HG   SER   3           HG       SER   3 -19.028  -0.521  -3.899
   16    H    TRP   4           HN       TRP   4 -20.131   2.601  -0.388
   17    HA   TRP   4           HA       TRP   4 -17.530   3.450  -1.618
   18   1HB   TRP   4          HB2       TRP   4 -19.809   4.821  -0.320
   19   2HB   TRP   4          HB1       TRP   4 -18.224   5.375   0.206
   20    HD1  TRP   4           HD1      TRP   4 -20.443   5.119  -2.887
   21    HE1  TRP   4           HE1      TRP   4 -19.506   6.674  -4.717
   22    HE3  TRP   4           HE3      TRP   4 -16.065   6.549  -0.675
   23    HZ2  TRP   4           HZ2      TRP   4 -17.205   8.310  -5.181
   24    HZ3  TRP   4           HZ3      TRP   4 -14.522   8.105  -1.833
   25    HH2  TRP   4           HH2      TRP   4 -15.086   8.986  -4.081
   26    H    LEU   5           HN       LEU   5 -16.137   4.439   0.350
   27    HA   LEU   5           HA       LEU   5 -14.921   4.052   2.325
   28   1HB   LEU   5          HB2       LEU   5 -17.650   3.553   2.888
   29   2HB   LEU   5          HB1       LEU   5 -16.749   2.233   3.636
   30    HG   LEU   5           HG       LEU   5 -15.165   4.300   4.349
   31   1HD1  LEU   5          HD11      LEU   5 -17.980   5.420   4.183
   32   2HD1  LEU   5          HD12      LEU   5 -16.578   5.990   3.278
   33   3HD1  LEU   5          HD13      LEU   5 -16.637   6.187   5.030
   34   1HD2  LEU   5          HD21      LEU   5 -16.251   4.197   6.530
   35   2HD2  LEU   5          HD22      LEU   5 -16.252   2.584   5.819
   36   3HD2  LEU   5          HD23      LEU   5 -17.724   3.554   5.802
   37    H    ARG   6           HN       ARG   6 -16.690   0.941   1.891
   38    HA   ARG   6           HA       ARG   6 -14.478  -0.737   2.511
   39   1HB   ARG   6          HB2       ARG   6 -17.166  -0.918   1.314
   40   2HB   ARG   6          HB1       ARG   6 -16.065  -2.177   0.767
   41   1HG   ARG   6          HG2       ARG   6 -16.369  -1.502   3.695
   42   2HG   ARG   6          HG1       ARG   6 -17.425  -2.667   2.898
   43   1HD   ARG   6          HD2       ARG   6 -15.828  -4.232   3.292
   44   2HD   ARG   6          HD1       ARG   6 -14.814  -3.389   2.105
   45    HE   ARG   6           HE       ARG   6 -14.434  -1.851   4.331
   46   1HH1  ARG   6          HH11      ARG   6 -12.214  -3.590   3.502
   47   2HH1  ARG   6          HH12      ARG   6 -12.004  -4.643   4.861
   48   1HH2  ARG   6          HH21      ARG   6 -15.124  -3.933   6.224
   49   2HH2  ARG   6          HH22      ARG   6 -13.660  -4.839   6.408
   50    H    ASP   7           HN       ASP   7 -15.661   0.458  -0.647
   51    HA   ASP   7           HA       ASP   7 -13.706  -0.899  -2.273
   52   1HB   ASP   7          HB2       ASP   7 -15.752  -0.042  -3.219
   53   2HB   ASP   7          HB1       ASP   7 -15.425   1.578  -2.607
   54    H    ILE   8           HN       ILE   8 -13.780   2.318  -0.725
   55    HA   ILE   8           HA       ILE   8 -11.391   3.398  -1.860
   56    HB   ILE   8           HB       ILE   8 -12.790   3.765   0.812
   57   1HG1  ILE   8          HG12      ILE   8 -14.069   4.390  -1.233
   58   2HG1  ILE   8          HG11      ILE   8 -13.688   5.793  -0.235
   59   1HG2  ILE   8          HG21      ILE   8 -10.524   5.350  -0.429
   60   2HG2  ILE   8          HG22      ILE   8 -10.509   4.504   1.118
   61   3HG2  ILE   8          HG23      ILE   8 -11.514   5.937   0.908
   62   1HD1  ILE   8          HD11      ILE   8 -13.245   6.317  -2.581
   63   2HD1  ILE   8          HD12      ILE   8 -12.196   4.908  -2.725
   64   3HD1  ILE   8          HD13      ILE   8 -11.721   6.258  -1.695
   65    H    TRP   9           HN       TRP   9 -11.906   1.417   1.081
   66    HA   TRP   9           HA       TRP   9  -9.133   1.392   1.900
   67   1HB   TRP   9          HB2       TRP   9 -11.130   0.884   3.329
   68   2HB   TRP   9          HB1       TRP   9 -11.356  -0.612   2.421
   69    HD1  TRP   9           HD1      TRP   9 -10.230  -2.644   3.436
   70    HE1  TRP   9           HE1      TRP   9  -8.243  -3.063   5.021
   71    HE3  TRP   9           HE3      TRP   9  -8.589   2.149   4.081
   72    HZ2  TRP   9           HZ2      TRP   9  -6.220  -1.565   6.381
   73    HZ3  TRP   9           HZ3      TRP   9  -6.632   2.624   5.525
   74    HH2  TRP   9           HH2      TRP   9  -5.446   0.775   6.674
   75    H    ASP  10           HN       ASP  10 -11.094  -0.662  -0.239
   76    HA   ASP  10           HA       ASP  10  -9.313  -2.856  -0.571
   77   1HB   ASP  10          HB2       ASP  10 -11.720  -2.488  -1.395
   78   2HB   ASP  10          HB1       ASP  10 -11.014  -1.575  -2.729
   79    H    TRP  11           HN       TRP  11  -9.491   0.281  -2.281
   80    HA   TRP  11           HA       TRP  11  -7.253  -0.240  -4.050
   81   1HB   TRP  11          HB2       TRP  11  -8.960   1.428  -4.556
   82   2HB   TRP  11          HB1       TRP  11  -8.615   2.291  -3.056
   83    HD1  TRP  11           HD1      TRP  11  -6.899   1.345  -6.378
   84    HE1  TRP  11           HE1      TRP  11  -5.112   3.127  -6.901
   85    HE3  TRP  11           HE3      TRP  11  -7.223   4.186  -2.149
   86    HZ2  TRP  11           HZ2      TRP  11  -3.971   5.454  -5.687
   87    HZ3  TRP  11           HZ3      TRP  11  -5.776   6.177  -1.857
   88    HH2  TRP  11           HH2      TRP  11  -4.152   6.813  -3.619
   89    H    ILE  12           HN       ILE  12  -7.618   1.385  -0.886
   90    HA   ILE  12           HA       ILE  12  -4.940   2.337  -0.587
   91    HB   ILE  12           HB       ILE  12  -7.129   1.442   1.311
   92   1HG1  ILE  12          HG12      ILE  12  -5.933   4.182   0.809
   93   2HG1  ILE  12          HG11      ILE  12  -7.324   3.561  -0.078
   94   1HG2  ILE  12          HG21      ILE  12  -5.703   2.679   3.065
   95   2HG2  ILE  12          HG22      ILE  12  -4.355   2.462   1.948
   96   3HG2  ILE  12          HG23      ILE  12  -5.182   1.055   2.618
   97   1HD1  ILE  12          HD11      ILE  12  -8.632   3.389   1.933
   98   2HD1  ILE  12          HD12      ILE  12  -7.901   4.994   1.934
   99   3HD1  ILE  12          HD13      ILE  12  -7.226   3.716   2.945
  100    H    CYS  13           HN       CYS  13  -6.432  -0.825   0.104
  101    HA   CYS  13           HA       CYS  13  -4.160  -2.067   1.357
  102   1HB   CYS  13          HB2       CYS  13  -6.628  -2.784   1.245
  103   2HB   CYS  13          HB1       CYS  13  -6.270  -3.392  -0.371
  104    HG   CYS  13           HG       CYS  13  -4.616  -5.103   0.657
  105    H    GLU  14           HN       GLU  14  -5.185  -1.731  -2.044
  106    HA   GLU  14           HA       GLU  14  -3.293  -3.463  -3.285
  107   1HB   GLU  14          HB2       GLU  14  -5.307  -2.196  -4.240
  108   2HB   GLU  14          HB1       GLU  14  -4.258  -0.785  -4.317
  109   1HG   GLU  14          HG2       GLU  14  -2.717  -2.784  -5.479
  110   2HG   GLU  14          HG1       GLU  14  -4.343  -3.126  -6.071
  111    H    VAL  15           HN       VAL  15  -3.108  -0.002  -2.537
  112    HA   VAL  15           HA       VAL  15  -0.340   0.305  -3.393
  113    HB   VAL  15           HB       VAL  15  -2.054   2.015  -1.553
  114   1HG1  VAL  15          HG11      VAL  15  -0.496   3.714  -3.010
  115   2HG1  VAL  15          HG12      VAL  15   0.588   2.332  -2.851
  116   3HG1  VAL  15          HG13      VAL  15  -0.061   3.113  -1.410
  117   1HG2  VAL  15          HG21      VAL  15  -3.388   2.048  -3.427
  118   2HG2  VAL  15          HG22      VAL  15  -2.072   1.571  -4.500
  119   3HG2  VAL  15          HG23      VAL  15  -2.203   3.243  -3.956
  120    H    LEU  16           HN       LEU  16  -1.965  -0.442  -0.334
  121    HA   LEU  16           HA       LEU  16   0.142   0.042   1.510
  122   1HB   LEU  16          HB2       LEU  16  -2.441  -0.954   1.531
  123   2HB   LEU  16          HB1       LEU  16  -1.493  -2.363   1.992
  124    HG   LEU  16           HG       LEU  16  -2.118  -1.131   3.997
  125   1HD1  LEU  16          HD11      LEU  16   0.784  -0.471   3.483
  126   2HD1  LEU  16          HD12      LEU  16   0.234  -2.132   3.706
  127   3HD1  LEU  16          HD13      LEU  16   0.024  -0.952   5.000
  128   1HD2  LEU  16          HD21      LEU  16  -1.592   1.183   4.335
  129   2HD2  LEU  16          HD22      LEU  16  -2.351   1.079   2.746
  130   3HD2  LEU  16          HD23      LEU  16  -0.600   1.238   2.878
  131    H    SER  17           HN       SER  17  -0.605  -2.940  -0.354
  132    HA   SER  17           HA       SER  17   1.499  -4.552   0.725
  133   1HB   SER  17          HB2       SER  17   1.091  -5.904  -1.321
  134   2HB   SER  17          HB1       SER  17  -0.418  -5.403  -0.566
  135    HG   SER  17           HG       SER  17  -0.847  -4.196  -2.248
  136    H    ASP  18           HN       ASP  18   1.429  -2.338  -2.083
  137    HA   ASP  18           HA       ASP  18   4.159  -2.894  -2.915
  138   1HB   ASP  18          HB2       ASP  18   2.529  -1.995  -4.468
  139   2HB   ASP  18          HB1       ASP  18   2.196  -0.628  -3.403
  140    H    PHE  19           HN       PHE  19   2.619  -0.415  -0.855
  141    HA   PHE  19           HA       PHE  19   4.867   1.256  -0.370
  142   1HB   PHE  19          HB2       PHE  19   2.222   0.930   0.527
  143   2HB   PHE  19          HB1       PHE  19   3.207   0.789   1.982
  144    HD1  PHE  19           HD1      PHE  19   1.854   3.039  -0.489
  145    HD2  PHE  19           HD2      PHE  19   4.944   2.598   2.462
  146    HE1  PHE  19           HE1      PHE  19   2.183   5.498  -0.466
  147    HE2  PHE  19           HE2      PHE  19   5.273   5.056   2.485
  148    HZ   PHE  19           HZ       PHE  19   3.892   6.506   1.022
  149    H    LYS  20           HN       LYS  20   3.873  -1.807   1.126
  150    HA   LYS  20           HA       LYS  20   5.734  -1.946   3.271
  151   1HB   LYS  20          HB2       LYS  20   3.782  -3.445   2.830
  152   2HB   LYS  20          HB1       LYS  20   4.658  -4.146   1.469
  153   1HG   LYS  20          HG2       LYS  20   6.523  -4.679   3.165
  154   2HG   LYS  20          HG1       LYS  20   5.324  -4.328   4.410
  155   1HD   LYS  20          HD2       LYS  20   5.057  -6.634   4.115
  156   2HD   LYS  20          HD1       LYS  20   3.811  -5.981   3.051
  157   1HE   LYS  20          HE2       LYS  20   5.610  -6.064   1.188
  158   2HE   LYS  20          HE1       LYS  20   6.508  -7.126   2.293
  159   1HZ   LYS  20          HZ1       LYS  20   4.558  -8.536   2.489
  160   2HZ   LYS  20          HZ2       LYS  20   5.012  -8.400   0.858
  161   3HZ   LYS  20          HZ3       LYS  20   3.682  -7.523   1.446
  162    H    THR  21           HN       THR  21   6.049  -3.037  -0.138
  163    HA   THR  21           HA       THR  21   8.778  -3.979   0.150
  164    HB   THR  21           HB       THR  21   7.548  -3.016  -2.428
  165    HG1  THR  21           HG1      THR  21   6.865  -5.403  -1.050
  166   1HG2  THR  21          HG21      THR  21   8.710  -4.916  -3.353
  167   2HG2  THR  21          HG22      THR  21   9.068  -5.544  -1.745
  168   3HG2  THR  21          HG23      THR  21   9.840  -4.060  -2.303
  169    H    TRP  22           HN       TRP  22   7.294  -0.890  -0.782
  170    HA   TRP  22           HA       TRP  22   9.534   0.492  -1.831
  171   1HB   TRP  22          HB2       TRP  22   6.979   1.081  -1.428
  172   2HB   TRP  22          HB1       TRP  22   7.592   1.797   0.059
  173    HD1  TRP  22           HD1      TRP  22   7.794   2.138  -3.740
  174    HE1  TRP  22           HE1      TRP  22   8.777   4.452  -4.311
  175    HE3  TRP  22           HE3      TRP  22   9.082   3.726   0.939
  176    HZ2  TRP  22           HZ2      TRP  22   9.955   6.683  -2.960
  177    HZ3  TRP  22           HZ3      TRP  22  10.130   5.947   1.269
  178    HH2  TRP  22           HH2      TRP  22  10.569   7.426  -0.672
  179    H    LEU  23           HN       LEU  23   8.407   0.279   1.552
  180    HA   LEU  23           HA       LEU  23  10.628   1.726   2.705
  181   1HB   LEU  23          HB2       LEU  23   8.334   0.037   3.583
  182   2HB   LEU  23          HB1       LEU  23   9.662   0.203   4.731
  183    HG   LEU  23           HG       LEU  23   9.502   2.748   4.207
  184   1HD1  LEU  23          HD11      LEU  23   7.999   2.608   2.297
  185   2HD1  LEU  23          HD12      LEU  23   7.163   3.428   3.615
  186   3HD1  LEU  23          HD13      LEU  23   6.803   1.739   3.258
  187   1HD2  LEU  23          HD21      LEU  23   7.842   3.026   5.975
  188   2HD2  LEU  23          HD22      LEU  23   8.861   1.638   6.356
  189   3HD2  LEU  23          HD23      LEU  23   7.239   1.391   5.708
  190    H    LYS  24           HN       LYS  24  10.018  -1.724   2.057
  191    HA   LYS  24           HA       LYS  24  12.268  -2.801   3.485
  192   1HB   LYS  24          HB2       LYS  24  10.122  -3.674   1.853
  193   2HB   LYS  24          HB1       LYS  24  11.589  -4.264   1.074
  194   1HG   LYS  24          HG2       LYS  24  11.303  -4.573   4.045
  195   2HG   LYS  24          HG1       LYS  24  10.436  -5.684   2.983
  196   1HD   LYS  24          HD2       LYS  24  13.333  -5.156   2.430
  197   2HD   LYS  24          HD1       LYS  24  12.914  -6.221   3.772
  198   1HE   LYS  24          HE2       LYS  24  11.896  -7.808   2.368
  199   2HE   LYS  24          HE1       LYS  24  11.638  -6.630   1.066
  200   1HZ   LYS  24          HZ1       LYS  24  13.558  -8.144   0.679
  201   2HZ   LYS  24          HZ2       LYS  24  14.321  -7.466   2.037
  202   3HZ   LYS  24          HZ3       LYS  24  13.975  -6.501   0.681
  203    H    ALA  25           HN       ALA  25  11.865  -1.771   0.083
  204    HA   ALA  25           HA       ALA  25  14.522  -2.428  -0.804
  205   1HB   ALA  25          HB1       ALA  25  12.392  -1.906  -2.133
  206   2HB   ALA  25          HB2       ALA  25  13.876  -1.175  -2.744
  207   3HB   ALA  25          HB3       ALA  25  12.730  -0.205  -1.818
  208    H    LYS  26           HN       LYS  26  13.134   0.466   0.729
  209    HA   LYS  26           HA       LYS  26  15.411   2.200   0.334
  210   1HB   LYS  26          HB2       LYS  26  12.908   2.623   1.029
  211   2HB   LYS  26          HB1       LYS  26  13.510   2.359   2.668
  212   1HG   LYS  26          HG2       LYS  26  14.937   4.224   2.580
  213   2HG   LYS  26          HG1       LYS  26  14.925   4.268   0.816
  214   1HD   LYS  26          HD2       LYS  26  12.278   4.613   1.319
  215   2HD   LYS  26          HD1       LYS  26  12.969   5.382   2.747
  216   1HE   LYS  26          HE2       LYS  26  14.506   6.221   0.475
  217   2HE   LYS  26          HE1       LYS  26  12.788   6.461   0.106
  218   1HZ   LYS  26          HZ1       LYS  26  12.512   7.530   2.266
  219   2HZ   LYS  26          HZ2       LYS  26  13.673   8.350   1.335
  220   3HZ   LYS  26          HZ3       LYS  26  14.164   7.328   2.598
  221    H    LEU  27           HN       LEU  27  14.572  -0.220   2.782
  222    HA   LEU  27           HA       LEU  27  16.631   0.542   4.691
  223   1HB   LEU  27          HB2       LEU  27  14.418  -0.814   4.959
  224   2HB   LEU  27          HB1       LEU  27  15.366  -2.188   4.391
  225    HG   LEU  27           HG       LEU  27  16.528  -0.509   6.576
  226   1HD1  LEU  27          HD11      LEU  27  14.198  -0.824   7.301
  227   2HD1  LEU  27          HD12      LEU  27  15.284  -1.821   8.270
  228   3HD1  LEU  27          HD13      LEU  27  14.323  -2.556   6.986
  229   1HD2  LEU  27          HD21      LEU  27  16.601  -3.360   5.623
  230   2HD2  LEU  27          HD22      LEU  27  17.038  -2.997   7.293
  231   3HD2  LEU  27          HD23      LEU  27  17.942  -2.266   5.966
  232    H    MET  28           HN       MET  28  16.324  -2.331   2.553
  233    HA   MET  28           HA       MET  28  17.945  -3.574   1.388
  234   1HB   MET  28          HB2       MET  28  18.572  -1.099   0.872
  235   2HB   MET  28          HB1       MET  28  19.900  -1.362   2.003
  236   1HG   MET  28          HG2       MET  28  20.668  -3.286   0.672
  237   2HG   MET  28          HG1       MET  28  19.330  -3.049  -0.453
  238   1HE   MET  28          HE1       MET  28  22.836  -2.048  -2.055
  239   2HE   MET  28          HE2       MET  28  21.335  -2.836  -2.534
  240   3HE   MET  28          HE3       MET  28  22.187  -3.383  -1.093
  241    HA   PRO  29           HA       PRO  29  19.935  -5.623   4.773
  242   1HB   PRO  29          HB2       PRO  29  21.176  -7.595   3.334
  243   2HB   PRO  29          HB1       PRO  29  19.439  -7.601   3.690
  244   1HG   PRO  29          HG2       PRO  29  20.855  -6.844   1.190
  245   2HG   PRO  29          HG1       PRO  29  19.315  -7.688   1.405
  246   1HD   PRO  29          HD2       PRO  29  19.529  -5.041   0.743
  247   2HD   PRO  29          HD1       PRO  29  18.128  -5.746   1.579
  248    H    GLN  30           HN       GLN  30  22.382  -6.740   4.883
  249    HA   GLN  30           HA       GLN  30  24.263  -4.552   4.044
  250   1HB   GLN  30          HB2       GLN  30  24.094  -6.358   6.469
  251   2HB   GLN  30          HB1       GLN  30  25.531  -5.403   6.108
  252   1HG   GLN  30          HG2       GLN  30  22.859  -4.041   6.132
  253   2HG   GLN  30          HG1       GLN  30  23.639  -4.416   7.668
  254   1HE2  GLN  30          HE21      GLN  30  24.054  -2.577   4.632
  255   2HE2  GLN  30          HE22      GLN  30  25.258  -1.544   5.234
  256    H    LEU  31           HN       LEU  31  26.668  -5.607   4.264
  257    HA   LEU  31           HA       LEU  31  26.685  -7.882   2.341
  258   1HB   LEU  31          HB2       LEU  31  28.550  -5.688   3.204
  259   2HB   LEU  31          HB1       LEU  31  29.220  -7.123   2.428
  260    HG   LEU  31           HG       LEU  31  26.839  -6.019   1.080
  261   1HD1  LEU  31          HD11      LEU  31  29.436  -4.461   1.227
  262   2HD1  LEU  31          HD12      LEU  31  27.840  -3.904   1.731
  263   3HD1  LEU  31          HD13      LEU  31  28.180  -4.179   0.022
  264   1HD2  LEU  31          HD21      LEU  31  29.631  -6.717   0.112
  265   2HD2  LEU  31          HD22      LEU  31  28.201  -6.490  -0.895
  266   3HD2  LEU  31          HD23      LEU  31  28.291  -7.860   0.212
  Start of MODEL   32
    1   1H    SER   1           HT1      SER   1 -28.543   1.080  -5.445
    2   2H    SER   1           HT2      SER   1 -27.313   0.056  -4.871
    3   3H    SER   1           HT3      SER   1 -27.341   0.523  -6.504
    4    HA   SER   1           HA       SER   1 -27.067   2.895  -5.722
    5   1HB   SER   1          HB2       SER   1 -26.114   2.941  -3.352
    6   2HB   SER   1          HB1       SER   1 -27.832   2.572  -3.466
    7    HG   SER   1           HG       SER   1 -26.535   1.149  -2.089
    8    H    GLY   2           HN       GLY   2 -24.789   3.703  -5.517
    9   1HA   GLY   2          HA2       GLY   2 -22.917   1.893  -6.840
   10   2HA   GLY   2          HA1       GLY   2 -22.592   3.565  -6.382
   11    H    SER   3           HN       SER   3 -21.299   0.719  -5.875
   12    HA   SER   3           HA       SER   3 -21.025   0.932  -2.905
   13   1HB   SER   3          HB2       SER   3 -19.961  -1.366  -3.279
   14   2HB   SER   3          HB1       SER   3 -21.671  -1.241  -3.680
   15    HG   SER   3           HG       SER   3 -20.052  -2.220  -5.258
   16    H    TRP   4           HN       TRP   4 -19.443   2.539  -2.615
   17    HA   TRP   4           HA       TRP   4 -16.899   2.324  -4.161
   18   1HB   TRP   4          HB2       TRP   4 -18.559   4.426  -3.291
   19   2HB   TRP   4          HB1       TRP   4 -17.121   4.529  -2.275
   20    HD1  TRP   4           HD1      TRP   4 -17.690   3.786  -6.047
   21    HE1  TRP   4           HE1      TRP   4 -16.015   5.210  -7.396
   22    HE3  TRP   4           HE3      TRP   4 -15.320   6.220  -2.233
   23    HZ2  TRP   4           HZ2      TRP   4 -13.947   7.125  -6.922
   24    HZ3  TRP   4           HZ3      TRP   4 -13.504   7.837  -2.709
   25    HH2  TRP   4           HH2      TRP   4 -12.815   8.292  -5.047
   26    H    LEU   5           HN       LEU   5 -17.936   0.732  -1.583
   27    HA   LEU   5           HA       LEU   5 -16.103   1.388   0.547
   28   1HB   LEU   5          HB2       LEU   5 -17.824  -0.949  -0.262
   29   2HB   LEU   5          HB1       LEU   5 -16.691  -1.136   1.075
   30    HG   LEU   5           HG       LEU   5 -18.526   1.246   1.001
   31   1HD1  LEU   5          HD11      LEU   5 -20.161  -0.074   2.336
   32   2HD1  LEU   5          HD12      LEU   5 -19.215  -1.529   2.018
   33   3HD1  LEU   5          HD13      LEU   5 -20.003  -0.681   0.687
   34   1HD2  LEU   5          HD21      LEU   5 -16.713   1.173   2.661
   35   2HD2  LEU   5          HD22      LEU   5 -17.264  -0.410   3.213
   36   3HD2  LEU   5          HD23      LEU   5 -18.275   1.013   3.462
   37    H    ARG   6           HN       ARG   6 -16.025  -1.206  -1.942
   38    HA   ARG   6           HA       ARG   6 -13.407  -2.191  -1.311
   39   1HB   ARG   6          HB2       ARG   6 -15.371  -3.077  -2.823
   40   2HB   ARG   6          HB1       ARG   6 -14.583  -2.135  -4.089
   41   1HG   ARG   6          HG2       ARG   6 -12.617  -3.672  -2.625
   42   2HG   ARG   6          HG1       ARG   6 -13.896  -4.731  -3.222
   43   1HD   ARG   6          HD2       ARG   6 -13.587  -3.397  -5.471
   44   2HD   ARG   6          HD1       ARG   6 -11.997  -2.998  -4.789
   45    HE   ARG   6           HE       ARG   6 -12.083  -5.670  -4.331
   46   1HH1  ARG   6          HH11      ARG   6 -14.201  -5.885  -6.483
   47   2HH1  ARG   6          HH12      ARG   6 -13.240  -6.196  -7.889
   48   1HH2  ARG   6          HH21      ARG   6 -10.266  -5.166  -6.407
   49   2HH2  ARG   6          HH22      ARG   6 -11.003  -5.788  -7.846
   50    H    ASP   7           HN       ASP   7 -14.558   0.412  -3.433
   51    HA   ASP   7           HA       ASP   7 -12.161   1.047  -4.818
   52   1HB   ASP   7          HB2       ASP   7 -14.514   1.899  -5.185
   53   2HB   ASP   7          HB1       ASP   7 -14.296   2.939  -3.777
   54    H    ILE   8           HN       ILE   8 -13.174   1.792  -1.507
   55    HA   ILE   8           HA       ILE   8 -10.775   3.528  -1.112
   56    HB   ILE   8           HB       ILE   8 -13.310   2.986   0.471
   57   1HG1  ILE   8          HG12      ILE   8 -12.337   5.612  -0.666
   58   2HG1  ILE   8          HG11      ILE   8 -13.255   4.477  -1.655
   59   1HG2  ILE   8          HG21      ILE   8 -10.909   4.716   1.141
   60   2HG2  ILE   8          HG22      ILE   8 -11.551   3.373   2.087
   61   3HG2  ILE   8          HG23      ILE   8 -12.474   4.869   1.941
   62   1HD1  ILE   8          HD11      ILE   8 -15.201   4.955  -0.598
   63   2HD1  ILE   8          HD12      ILE   8 -14.362   6.385   0.005
   64   3HD1  ILE   8          HD13      ILE   8 -14.441   4.926   0.993
   65    H    TRP   9           HN       TRP   9 -12.464   0.794   0.511
   66    HA   TRP   9           HA       TRP   9 -10.413   0.214   2.412
   67   1HB   TRP   9          HB2       TRP   9 -12.771  -0.562   2.487
   68   2HB   TRP   9          HB1       TRP   9 -12.458  -1.611   1.104
   69    HD1  TRP   9           HD1      TRP   9 -12.085  -4.005   1.838
   70    HE1  TRP   9           HE1      TRP   9 -10.956  -5.180   3.835
   71    HE3  TRP   9           HE3      TRP   9 -10.597   0.069   4.538
   72    HZ2  TRP   9           HZ2      TRP   9  -9.602  -4.486   6.256
   73    HZ3  TRP   9           HZ3      TRP   9  -9.392  -0.218   6.683
   74    HH2  TRP   9           HH2      TRP   9  -8.893  -2.489   7.546
   75    H    ASP  10           HN       ASP  10 -11.103  -1.423  -0.726
   76    HA   ASP  10           HA       ASP  10  -8.863  -3.191  -0.666
   77   1HB   ASP  10          HB2       ASP  10 -10.999  -2.918  -2.230
   78   2HB   ASP  10          HB1       ASP  10  -9.870  -2.006  -3.232
   79    H    TRP  11           HN       TRP  11  -9.168   0.159  -1.854
   80    HA   TRP  11           HA       TRP  11  -6.583   0.354  -3.091
   81   1HB   TRP  11          HB2       TRP  11  -8.439   1.928  -3.459
   82   2HB   TRP  11          HB1       TRP  11  -8.380   2.419  -1.767
   83    HD1  TRP  11           HD1      TRP  11  -6.211   2.497  -4.952
   84    HE1  TRP  11           HE1      TRP  11  -4.589   4.493  -4.776
   85    HE3  TRP  11           HE3      TRP  11  -7.290   4.098  -0.226
   86    HZ2  TRP  11           HZ2      TRP  11  -3.850   6.505  -2.882
   87    HZ3  TRP  11           HZ3      TRP  11  -6.115   6.055   0.738
   88    HH2  TRP  11           HH2      TRP  11  -4.397   7.259  -0.583
   89    H    ILE  12           HN       ILE  12  -7.687   1.145   0.233
   90    HA   ILE  12           HA       ILE  12  -5.160   2.093   1.210
   91    HB   ILE  12           HB       ILE  12  -7.612   0.829   2.476
   92   1HG1  ILE  12          HG12      ILE  12  -6.548   3.662   2.663
   93   2HG1  ILE  12          HG11      ILE  12  -7.670   3.148   1.405
   94   1HG2  ILE  12          HG21      ILE  12  -5.980   0.320   4.095
   95   2HG2  ILE  12          HG22      ILE  12  -6.571   1.896   4.620
   96   3HG2  ILE  12          HG23      ILE  12  -5.045   1.774   3.746
   97   1HD1  ILE  12          HD11      ILE  12  -9.035   4.049   3.140
   98   2HD1  ILE  12          HD12      ILE  12  -8.131   3.198   4.393
   99   3HD1  ILE  12          HD13      ILE  12  -9.176   2.298   3.292
  100    H    CYS  13           HN       CYS  13  -6.564  -1.156   0.917
  101    HA   CYS  13           HA       CYS  13  -4.541  -2.568   2.422
  102   1HB   CYS  13          HB2       CYS  13  -6.939  -3.226   1.598
  103   2HB   CYS  13          HB1       CYS  13  -6.118  -3.695   0.108
  104    HG   CYS  13           HG       CYS  13  -4.947  -5.582   1.312
  105    H    GLU  14           HN       GLU  14  -4.907  -1.732  -1.038
  106    HA   GLU  14           HA       GLU  14  -2.544  -3.185  -1.907
  107   1HB   GLU  14          HB2       GLU  14  -4.738  -1.753  -3.010
  108   2HB   GLU  14          HB1       GLU  14  -3.274  -0.975  -3.612
  109   1HG   GLU  14          HG2       GLU  14  -3.183  -3.926  -3.638
  110   2HG   GLU  14          HG1       GLU  14  -4.390  -3.223  -4.715
  111    H    VAL  15           HN       VAL  15  -3.233   0.215  -1.127
  112    HA   VAL  15           HA       VAL  15  -0.636   1.279  -1.733
  113    HB   VAL  15           HB       VAL  15  -2.871   2.095   0.155
  114   1HG1  VAL  15          HG11      VAL  15  -0.905   3.163   1.020
  115   2HG1  VAL  15          HG12      VAL  15  -1.738   4.374   0.046
  116   3HG1  VAL  15          HG13      VAL  15  -0.321   3.546  -0.600
  117   1HG2  VAL  15          HG21      VAL  15  -3.675   3.383  -1.598
  118   2HG2  VAL  15          HG22      VAL  15  -2.979   2.040  -2.504
  119   3HG2  VAL  15          HG23      VAL  15  -2.085   3.552  -2.343
  120    H    LEU  16           HN       LEU  16  -2.066   0.169   1.371
  121    HA   LEU  16           HA       LEU  16   0.256   0.603   2.992
  122   1HB   LEU  16          HB2       LEU  16  -2.172   0.158   3.656
  123   2HB   LEU  16          HB1       LEU  16  -1.856  -1.546   3.332
  124    HG   LEU  16           HG       LEU  16   0.266  -0.480   4.966
  125   1HD1  LEU  16          HD11      LEU  16  -0.933   0.208   6.927
  126   2HD1  LEU  16          HD12      LEU  16  -2.484  -0.236   6.212
  127   3HD1  LEU  16          HD13      LEU  16  -1.589   1.150   5.586
  128   1HD2  LEU  16          HD21      LEU  16  -1.934  -2.524   5.405
  129   2HD2  LEU  16          HD22      LEU  16  -0.575  -2.288   6.505
  130   3HD2  LEU  16          HD23      LEU  16  -0.288  -2.840   4.855
  131    H    SER  17           HN       SER  17  -0.885  -2.334   1.264
  132    HA   SER  17           HA       SER  17   1.240  -4.074   2.086
  133   1HB   SER  17          HB2       SER  17  -0.993  -4.592   0.932
  134   2HB   SER  17          HB1       SER  17  -0.220  -4.098  -0.572
  135    HG   SER  17           HG       SER  17   0.220  -6.210  -0.488
  136    H    ASP  18           HN       ASP  18   0.907  -1.869  -0.703
  137    HA   ASP  18           HA       ASP  18   3.424  -2.554  -1.949
  138   1HB   ASP  18          HB2       ASP  18   1.549  -1.461  -3.110
  139   2HB   ASP  18          HB1       ASP  18   1.676  -0.068  -2.036
  140    H    PHE  19           HN       PHE  19   2.424   0.014   0.329
  141    HA   PHE  19           HA       PHE  19   4.750   1.565   0.490
  142   1HB   PHE  19          HB2       PHE  19   2.353   1.255   1.862
  143   2HB   PHE  19          HB1       PHE  19   3.561   0.908   3.094
  144    HD1  PHE  19           HD1      PHE  19   1.808   3.483   1.397
  145    HD2  PHE  19           HD2      PHE  19   5.601   2.572   3.195
  146    HE1  PHE  19           HE1      PHE  19   2.285   5.907   1.620
  147    HE2  PHE  19           HE2      PHE  19   6.078   4.995   3.418
  148    HZ   PHE  19           HZ       PHE  19   4.420   6.663   2.630
  149    H    LYS  20           HN       LYS  20   4.045  -1.474   2.236
  150    HA   LYS  20           HA       LYS  20   6.493  -1.602   3.732
  151   1HB   LYS  20          HB2       LYS  20   4.110  -3.048   3.433
  152   2HB   LYS  20          HB1       LYS  20   5.371  -4.182   2.949
  153   1HG   LYS  20          HG2       LYS  20   5.738  -2.545   5.442
  154   2HG   LYS  20          HG1       LYS  20   4.711  -3.978   5.488
  155   1HD   LYS  20          HD2       LYS  20   6.486  -5.426   4.947
  156   2HD   LYS  20          HD1       LYS  20   7.473  -4.118   4.290
  157   1HE   LYS  20          HE2       LYS  20   8.494  -4.461   6.376
  158   2HE   LYS  20          HE1       LYS  20   7.328  -3.186   6.776
  159   1HZ   LYS  20          HZ1       LYS  20   5.705  -4.996   7.269
  160   2HZ   LYS  20          HZ2       LYS  20   7.024  -4.945   8.337
  161   3HZ   LYS  20          HZ3       LYS  20   6.968  -6.118   7.112
  162    H    THR  21           HN       THR  21   5.624  -2.803   0.478
  163    HA   THR  21           HA       THR  21   8.233  -4.114   0.110
  164    HB   THR  21           HB       THR  21   6.085  -3.469  -1.933
  165    HG1  THR  21           HG1      THR  21   4.876  -4.750  -0.812
  166   1HG2  THR  21          HG21      THR  21   8.051  -5.768  -1.740
  167   2HG2  THR  21          HG22      THR  21   8.285  -4.339  -2.748
  168   3HG2  THR  21          HG23      THR  21   6.946  -5.438  -3.074
  169    H    TRP  22           HN       TRP  22   6.677  -1.065  -0.839
  170    HA   TRP  22           HA       TRP  22   8.506  -0.140  -2.805
  171   1HB   TRP  22          HB2       TRP  22   6.268   0.808  -1.843
  172   2HB   TRP  22          HB1       TRP  22   7.297   1.610  -0.661
  173    HD1  TRP  22           HD1      TRP  22   6.290   1.695  -4.303
  174    HE1  TRP  22           HE1      TRP  22   7.347   3.759  -5.430
  175    HE3  TRP  22           HE3      TRP  22   9.428   3.227  -0.576
  176    HZ2  TRP  22           HZ2      TRP  22   9.268   5.792  -4.829
  177    HZ3  TRP  22           HZ3      TRP  22  10.858   5.227  -0.879
  178    HH2  TRP  22           HH2      TRP  22  10.782   6.512  -2.999
  179    H    LEU  23           HN       LEU  23   8.554   0.348   0.735
  180    HA   LEU  23           HA       LEU  23  11.050   1.761   0.852
  181   1HB   LEU  23          HB2       LEU  23   9.128   0.445   2.654
  182   2HB   LEU  23          HB1       LEU  23  10.784   0.422   3.260
  183    HG   LEU  23           HG       LEU  23  10.706   2.972   2.447
  184   1HD1  LEU  23          HD11      LEU  23   7.838   2.329   3.197
  185   2HD1  LEU  23          HD12      LEU  23   8.395   2.788   1.588
  186   3HD1  LEU  23          HD13      LEU  23   8.492   3.943   2.917
  187   1HD2  LEU  23          HD21      LEU  23  10.384   3.577   4.731
  188   2HD2  LEU  23          HD22      LEU  23  11.084   1.959   4.775
  189   3HD2  LEU  23          HD23      LEU  23   9.353   2.178   5.034
  190    H    LYS  24           HN       LYS  24  10.271  -1.715   0.917
  191    HA   LYS  24           HA       LYS  24  12.969  -2.595   1.561
  192   1HB   LYS  24          HB2       LYS  24  10.367  -3.777   0.661
  193   2HB   LYS  24          HB1       LYS  24  11.821  -4.761   0.496
  194   1HG   LYS  24          HG2       LYS  24  12.244  -3.966   2.993
  195   2HG   LYS  24          HG1       LYS  24  10.493  -3.745   2.981
  196   1HD   LYS  24          HD2       LYS  24  10.841  -6.222   1.762
  197   2HD   LYS  24          HD1       LYS  24  12.051  -6.221   3.046
  198   1HE   LYS  24          HE2       LYS  24  10.345  -5.692   4.718
  199   2HE   LYS  24          HE1       LYS  24   9.111  -5.552   3.451
  200   1HZ   LYS  24          HZ1       LYS  24  10.764  -7.987   3.862
  201   2HZ   LYS  24          HZ2       LYS  24   9.405  -7.819   2.854
  202   3HZ   LYS  24          HZ3       LYS  24   9.224  -7.787   4.544
  203    H    ALA  25           HN       ALA  25  11.186  -1.980  -1.447
  204    HA   ALA  25           HA       ALA  25  13.307  -3.147  -3.131
  205   1HB   ALA  25          HB1       ALA  25  11.757  -2.721  -4.895
  206   2HB   ALA  25          HB2       ALA  25  10.935  -1.466  -3.967
  207   3HB   ALA  25          HB3       ALA  25  10.762  -3.160  -3.506
  208    H    LYS  26           HN       LYS  26  12.180   0.101  -2.184
  209    HA   LYS  26           HA       LYS  26  14.053   1.433  -4.030
  210   1HB   LYS  26          HB2       LYS  26  11.697   2.179  -3.367
  211   2HB   LYS  26          HB1       LYS  26  12.381   2.619  -1.802
  212   1HG   LYS  26          HG2       LYS  26  12.720   4.630  -2.841
  213   2HG   LYS  26          HG1       LYS  26  14.175   3.822  -3.425
  214   1HD   LYS  26          HD2       LYS  26  12.361   2.979  -5.277
  215   2HD   LYS  26          HD1       LYS  26  11.715   4.574  -4.895
  216   1HE   LYS  26          HE2       LYS  26  14.667   4.251  -5.432
  217   2HE   LYS  26          HE1       LYS  26  13.523   4.389  -6.782
  218   1HZ   LYS  26          HZ1       LYS  26  12.626   6.396  -5.796
  219   2HZ   LYS  26          HZ2       LYS  26  14.300   6.574  -6.034
  220   3HZ   LYS  26          HZ3       LYS  26  13.689   6.265  -4.479
  221    H    LEU  27           HN       LEU  27  13.651   1.243  -0.455
  222    HA   LEU  27           HA       LEU  27  16.399   2.351  -0.122
  223   1HB   LEU  27          HB2       LEU  27  14.297   3.186   1.078
  224   2HB   LEU  27          HB1       LEU  27  14.329   1.673   1.983
  225    HG   LEU  27           HG       LEU  27  16.952   2.582   2.158
  226   1HD1  LEU  27          HD11      LEU  27  15.015   4.903   2.415
  227   2HD1  LEU  27          HD12      LEU  27  16.340   4.766   1.259
  228   3HD1  LEU  27          HD13      LEU  27  16.685   4.927   2.981
  229   1HD2  LEU  27          HD21      LEU  27  15.477   1.551   3.920
  230   2HD2  LEU  27          HD22      LEU  27  14.709   3.124   4.128
  231   3HD2  LEU  27          HD23      LEU  27  16.420   2.922   4.502
  232    H    MET  28           HN       MET  28  14.455  -0.525   0.708
  233    HA   MET  28           HA       MET  28  15.093  -2.682   1.398
  234   1HB   MET  28          HB2       MET  28  16.496  -2.093  -0.760
  235   2HB   MET  28          HB1       MET  28  17.850  -2.067   0.370
  236   1HG   MET  28          HG2       MET  28  16.824  -4.366   1.173
  237   2HG   MET  28          HG1       MET  28  16.096  -4.365  -0.432
  238   1HE   MET  28          HE1       MET  28  17.011  -6.038  -1.682
  239   2HE   MET  28          HE2       MET  28  17.748  -6.790  -0.269
  240   3HE   MET  28          HE3       MET  28  18.690  -6.592  -1.744
  241    HA   PRO  29           HA       PRO  29  17.443  -0.853   4.995
  242   1HB   PRO  29          HB2       PRO  29  15.420  -0.937   6.836
  243   2HB   PRO  29          HB1       PRO  29  15.695   0.449   5.765
  244   1HG   PRO  29          HG2       PRO  29  13.653  -1.687   5.607
  245   2HG   PRO  29          HG1       PRO  29  13.553   0.011   5.123
  246   1HD   PRO  29          HD2       PRO  29  13.917  -2.136   3.401
  247   2HD   PRO  29          HD1       PRO  29  14.264  -0.437   3.022
  248    H    GLN  30           HN       GLN  30  16.892  -1.977   7.499
  249    HA   GLN  30           HA       GLN  30  17.140  -3.923   8.795
  250   1HB   GLN  30          HB2       GLN  30  15.877  -5.156   6.323
  251   2HB   GLN  30          HB1       GLN  30  16.042  -5.962   7.878
  252   1HG   GLN  30          HG2       GLN  30  14.830  -3.327   8.168
  253   2HG   GLN  30          HG1       GLN  30  13.903  -4.352   7.074
  254   1HE2  GLN  30          HE21      GLN  30  12.291  -5.426   8.234
  255   2HE2  GLN  30          HE22      GLN  30  12.481  -6.075   9.791
  256    H    LEU  31           HN       LEU  31  19.282  -4.374   9.066
  257    HA   LEU  31           HA       LEU  31  21.400  -5.347   8.728
  258   1HB   LEU  31          HB2       LEU  31  19.457  -7.132   7.957
  259   2HB   LEU  31          HB1       LEU  31  20.449  -7.045   6.501
  260    HG   LEU  31           HG       LEU  31  22.452  -7.297   8.181
  261   1HD1  LEU  31          HD11      LEU  31  21.113  -7.078  10.225
  262   2HD1  LEU  31          HD12      LEU  31  21.827  -8.688  10.145
  263   3HD1  LEU  31          HD13      LEU  31  20.125  -8.459   9.746
  264   1HD2  LEU  31          HD21      LEU  31  21.919  -8.966   6.493
  265   2HD2  LEU  31          HD22      LEU  31  20.558  -9.552   7.450
  266   3HD2  LEU  31          HD23      LEU  31  22.209  -9.792   8.024
  Start of MODEL   33
    1   1H    SER   1           HT1      SER   1 -22.572   1.049  -1.995
    2   2H    SER   1           HT2      SER   1 -24.142   0.988  -2.641
    3   3H    SER   1           HT3      SER   1 -23.914   1.258  -0.978
    4    HA   SER   1           HA       SER   1 -23.015   3.120  -3.122
    5   1HB   SER   1          HB2       SER   1 -25.425   3.142  -1.272
    6   2HB   SER   1          HB1       SER   1 -24.998   4.426  -2.400
    7    HG   SER   1           HG       SER   1 -26.461   3.109  -3.422
    8    H    GLY   2           HN       GLY   2 -20.968   3.182  -1.843
    9   1HA   GLY   2          HA2       GLY   2 -21.275   4.897   0.587
   10   2HA   GLY   2          HA1       GLY   2 -20.158   3.533   0.597
   11    H    SER   3           HN       SER   3 -20.833   5.941  -1.954
   12    HA   SER   3           HA       SER   3 -19.339   7.228  -3.252
   13   1HB   SER   3          HB2       SER   3 -18.365   8.882  -1.900
   14   2HB   SER   3          HB1       SER   3 -19.609   8.229  -0.842
   15    HG   SER   3           HG       SER   3 -18.057   7.054   0.227
   16    H    TRP   4           HN       TRP   4 -16.497   7.739  -2.465
   17    HA   TRP   4           HA       TRP   4 -15.315   5.370  -3.738
   18   1HB   TRP   4          HB2       TRP   4 -14.808   8.092  -3.656
   19   2HB   TRP   4          HB1       TRP   4 -13.531   7.433  -2.633
   20    HD1  TRP   4           HD1      TRP   4 -14.832   7.413  -6.208
   21    HE1  TRP   4           HE1      TRP   4 -13.050   6.357  -7.742
   22    HE3  TRP   4           HE3      TRP   4 -11.527   5.731  -2.699
   23    HZ2  TRP   4           HZ2      TRP   4 -10.555   4.982  -7.513
   24    HZ3  TRP   4           HZ3      TRP   4  -9.458   4.551  -3.385
   25    HH2  TRP   4           HH2      TRP   4  -8.969   4.176  -5.785
   26    H    LEU   5           HN       LEU   5 -16.074   6.167  -0.521
   27    HA   LEU   5           HA       LEU   5 -13.791   5.285   0.948
   28   1HB   LEU   5          HB2       LEU   5 -16.643   5.823   1.351
   29   2HB   LEU   5          HB1       LEU   5 -16.065   4.518   2.384
   30    HG   LEU   5           HG       LEU   5 -14.115   6.043   3.004
   31   1HD1  LEU   5          HD11      LEU   5 -15.938   8.153   1.808
   32   2HD1  LEU   5          HD12      LEU   5 -14.449   7.587   1.053
   33   3HD1  LEU   5          HD13      LEU   5 -14.388   8.426   2.602
   34   1HD2  LEU   5          HD21      LEU   5 -15.864   5.723   4.612
   35   2HD2  LEU   5          HD22      LEU   5 -16.982   6.734   3.697
   36   3HD2  LEU   5          HD23      LEU   5 -15.603   7.465   4.519
   37    H    ARG   6           HN       ARG   6 -16.457   3.482  -0.564
   38    HA   ARG   6           HA       ARG   6 -15.775   0.895   0.546
   39   1HB   ARG   6          HB2       ARG   6 -17.781   2.072  -1.032
   40   2HB   ARG   6          HB1       ARG   6 -17.024   0.887  -2.097
   41   1HG   ARG   6          HG2       ARG   6 -17.744   0.129   0.724
   42   2HG   ARG   6          HG1       ARG   6 -18.980   0.122  -0.535
   43   1HD   ARG   6          HD2       ARG   6 -18.153  -1.780  -1.470
   44   2HD   ARG   6          HD1       ARG   6 -16.481  -1.189  -1.377
   45    HE   ARG   6           HE       ARG   6 -17.807  -2.043   1.148
   46   1HH1  ARG   6          HH11      ARG   6 -14.821  -1.441   0.635
   47   2HH1  ARG   6          HH12      ARG   6 -14.170  -3.045   0.656
   48   1HH2  ARG   6          HH21      ARG   6 -17.269  -4.589   0.323
   49   2HH2  ARG   6          HH22      ARG   6 -15.561  -4.836   0.480
   50    H    ASP   7           HN       ASP   7 -14.751   2.759  -2.270
   51    HA   ASP   7           HA       ASP   7 -13.246   0.565  -3.500
   52   1HB   ASP   7          HB2       ASP   7 -14.465   2.696  -4.485
   53   2HB   ASP   7          HB1       ASP   7 -12.926   3.484  -4.136
   54    H    ILE   8           HN       ILE   8 -12.505   3.448  -1.518
   55    HA   ILE   8           HA       ILE   8  -9.646   3.300  -1.778
   56    HB   ILE   8           HB       ILE   8 -11.204   5.196  -0.928
   57   1HG1  ILE   8          HG12      ILE   8  -9.365   5.962   0.707
   58   2HG1  ILE   8          HG11      ILE   8  -8.570   4.430   0.346
   59   1HG2  ILE   8          HG21      ILE   8 -10.617   4.152   1.809
   60   2HG2  ILE   8          HG22      ILE   8 -11.995   3.474   0.950
   61   3HG2  ILE   8          HG23      ILE   8 -11.922   5.205   1.265
   62   1HD1  ILE   8          HD11      ILE   8  -9.476   6.270  -1.865
   63   2HD1  ILE   8          HD12      ILE   8  -8.269   4.985  -1.929
   64   3HD1  ILE   8          HD13      ILE   8  -7.913   6.488  -1.079
   65    H    TRP   9           HN       TRP   9 -11.916   1.580   0.330
   66    HA   TRP   9           HA       TRP   9 -10.026   0.695   2.300
   67   1HB   TRP   9          HB2       TRP   9 -12.483   0.600   2.539
   68   2HB   TRP   9          HB1       TRP   9 -12.569  -0.580   1.233
   69    HD1  TRP   9           HD1      TRP   9 -13.479  -2.550   2.690
   70    HE1  TRP   9           HE1      TRP   9 -12.431  -4.025   4.524
   71    HE3  TRP   9           HE3      TRP   9  -9.260   0.157   3.721
   72    HZ2  TRP   9           HZ2      TRP   9 -10.121  -4.058   6.202
   73    HZ3  TRP   9           HZ3      TRP   9  -7.661  -0.623   5.439
   74    HH2  TRP   9           HH2      TRP   9  -8.084  -2.725   6.681
   75    H    ASP  10           HN       ASP  10 -11.308  -1.002  -0.599
   76    HA   ASP  10           HA       ASP  10  -9.522  -3.249  -0.434
   77   1HB   ASP  10          HB2       ASP  10 -11.662  -3.090  -1.730
   78   2HB   ASP  10          HB1       ASP  10 -10.867  -1.982  -2.848
   79    H    TRP  11           HN       TRP  11  -9.292  -0.101  -2.106
   80    HA   TRP  11           HA       TRP  11  -6.856  -0.632  -3.539
   81   1HB   TRP  11          HB2       TRP  11  -8.433   1.202  -4.036
   82   2HB   TRP  11          HB1       TRP  11  -8.070   1.945  -2.477
   83    HD1  TRP  11           HD1      TRP  11  -6.360   1.052  -5.810
   84    HE1  TRP  11           HE1      TRP  11  -4.355   2.636  -6.143
   85    HE3  TRP  11           HE3      TRP  11  -6.460   3.545  -1.356
   86    HZ2  TRP  11           HZ2      TRP  11  -2.977   4.697  -4.710
   87    HZ3  TRP  11           HZ3      TRP  11  -4.793   5.312  -0.867
   88    HH2  TRP  11           HH2      TRP  11  -3.053   5.889  -2.535
   89    H    ILE  12           HN       ILE  12  -7.472   0.830  -0.323
   90    HA   ILE  12           HA       ILE  12  -4.759   1.473   0.317
   91    HB   ILE  12           HB       ILE  12  -7.311   0.916   1.817
   92   1HG1  ILE  12          HG12      ILE  12  -5.428   3.292   1.858
   93   2HG1  ILE  12          HG11      ILE  12  -6.743   3.121   0.696
   94   1HG2  ILE  12          HG21      ILE  12  -6.038   1.550   3.935
   95   2HG2  ILE  12          HG22      ILE  12  -4.554   1.210   3.044
   96   3HG2  ILE  12          HG23      ILE  12  -5.729  -0.076   3.327
   97   1HD1  ILE  12          HD11      ILE  12  -8.330   2.881   2.637
   98   2HD1  ILE  12          HD12      ILE  12  -7.553   4.461   2.544
   99   3HD1  ILE  12          HD13      ILE  12  -6.989   3.269   3.714
  100    H    CYS  13           HN       CYS  13  -6.640  -1.534   0.683
  101    HA   CYS  13           HA       CYS  13  -4.661  -3.021   2.159
  102   1HB   CYS  13          HB2       CYS  13  -7.191  -3.442   1.672
  103   2HB   CYS  13          HB1       CYS  13  -6.623  -4.181   0.174
  104    HG   CYS  13           HG       CYS  13  -6.178  -5.317   3.018
  105    H    GLU  14           HN       GLU  14  -5.208  -2.448  -1.306
  106    HA   GLU  14           HA       GLU  14  -3.264  -4.374  -2.266
  107   1HB   GLU  14          HB2       GLU  14  -5.251  -2.649  -3.276
  108   2HB   GLU  14          HB1       GLU  14  -3.744  -2.085  -3.995
  109   1HG   GLU  14          HG2       GLU  14  -4.438  -5.020  -3.963
  110   2HG   GLU  14          HG1       GLU  14  -5.054  -3.956  -5.227
  111    H    VAL  15           HN       VAL  15  -3.210  -0.857  -1.734
  112    HA   VAL  15           HA       VAL  15  -0.454  -0.478  -2.550
  113    HB   VAL  15           HB       VAL  15  -2.289   1.186  -0.786
  114   1HG1  VAL  15          HG11      VAL  15  -0.790   3.024  -1.941
  115   2HG1  VAL  15          HG12      VAL  15   0.355   1.694  -2.121
  116   3HG1  VAL  15          HG13      VAL  15  -0.194   2.175  -0.514
  117   1HG2  VAL  15          HG21      VAL  15  -1.973   2.168  -3.473
  118   2HG2  VAL  15          HG22      VAL  15  -3.454   1.669  -2.655
  119   3HG2  VAL  15          HG23      VAL  15  -2.493   0.484  -3.539
  120    H    LEU  16           HN       LEU  16  -2.025  -1.260   0.533
  121    HA   LEU  16           HA       LEU  16   0.030  -0.613   2.372
  122   1HB   LEU  16          HB2       LEU  16  -2.296  -1.393   2.870
  123   2HB   LEU  16          HB1       LEU  16  -1.831  -3.016   2.361
  124    HG   LEU  16           HG       LEU  16   0.072  -1.957   4.284
  125   1HD1  LEU  16          HD11      LEU  16  -2.822  -2.159   5.172
  126   2HD1  LEU  16          HD12      LEU  16  -1.878  -0.672   5.088
  127   3HD1  LEU  16          HD13      LEU  16  -1.434  -1.934   6.236
  128   1HD2  LEU  16          HD21      LEU  16  -1.836  -4.318   4.258
  129   2HD2  LEU  16          HD22      LEU  16  -0.555  -4.084   5.448
  130   3HD2  LEU  16          HD23      LEU  16  -0.147  -4.327   3.749
  131    H    SER  17           HN       SER  17  -0.436  -3.640   0.503
  132    HA   SER  17           HA       SER  17   1.842  -5.040   1.533
  133   1HB   SER  17          HB2       SER  17  -0.066  -5.214  -0.716
  134   2HB   SER  17          HB1       SER  17   1.496  -5.965  -1.034
  135    HG   SER  17           HG       SER  17  -0.301  -7.188   0.122
  136    H    ASP  18           HN       ASP  18   1.459  -2.899  -1.310
  137    HA   ASP  18           HA       ASP  18   4.177  -3.163  -2.248
  138   1HB   ASP  18          HB2       ASP  18   2.466  -2.343  -3.725
  139   2HB   ASP  18          HB1       ASP  18   1.989  -1.088  -2.579
  140    H    PHE  19           HN       PHE  19   2.551  -0.762  -0.144
  141    HA   PHE  19           HA       PHE  19   4.600   1.086   0.298
  142   1HB   PHE  19          HB2       PHE  19   2.131   0.417   1.386
  143   2HB   PHE  19          HB1       PHE  19   3.231   0.228   2.748
  144    HD1  PHE  19           HD1      PHE  19   4.345   2.116   3.742
  145    HD2  PHE  19           HD2      PHE  19   1.978   2.598   0.190
  146    HE1  PHE  19           HE1      PHE  19   4.447   4.579   4.009
  147    HE2  PHE  19           HE2      PHE  19   2.082   5.061   0.455
  148    HZ   PHE  19           HZ       PHE  19   3.316   6.052   2.365
  149    H    LYS  20           HN       LYS  20   4.172  -2.090   1.871
  150    HA   LYS  20           HA       LYS  20   6.348  -1.933   3.716
  151   1HB   LYS  20          HB2       LYS  20   4.465  -3.599   3.636
  152   2HB   LYS  20          HB1       LYS  20   5.247  -4.349   2.243
  153   1HG   LYS  20          HG2       LYS  20   7.348  -4.461   3.799
  154   2HG   LYS  20          HG1       LYS  20   6.179  -4.252   5.103
  155   1HD   LYS  20          HD2       LYS  20   5.865  -6.368   2.962
  156   2HD   LYS  20          HD1       LYS  20   6.720  -6.669   4.476
  157   1HE   LYS  20          HE2       LYS  20   3.960  -5.472   4.587
  158   2HE   LYS  20          HE1       LYS  20   4.142  -7.217   4.322
  159   1HZ   LYS  20          HZ1       LYS  20   5.515  -5.707   6.485
  160   2HZ   LYS  20          HZ2       LYS  20   5.512  -7.391   6.260
  161   3HZ   LYS  20          HZ3       LYS  20   4.083  -6.588   6.707
  162    H    THR  21           HN       THR  21   6.235  -3.132   0.335
  163    HA   THR  21           HA       THR  21   9.117  -3.748   0.342
  164    HB   THR  21           HB       THR  21   7.397  -3.614  -2.121
  165    HG1  THR  21           HG1      THR  21   5.994  -4.879  -1.238
  166   1HG2  THR  21          HG21      THR  21   9.834  -4.370  -2.047
  167   2HG2  THR  21          HG22      THR  21   8.699  -5.496  -2.792
  168   3HG2  THR  21          HG23      THR  21   9.269  -5.778  -1.147
  169    H    TRP  22           HN       TRP  22   6.964  -1.281  -1.081
  170    HA   TRP  22           HA       TRP  22   8.822   0.101  -2.717
  171   1HB   TRP  22          HB2       TRP  22   6.219   0.331  -2.148
  172   2HB   TRP  22          HB1       TRP  22   6.811   1.592  -1.070
  173    HD1  TRP  22           HD1      TRP  22   6.428   0.721  -4.747
  174    HE1  TRP  22           HE1      TRP  22   6.944   2.813  -6.164
  175    HE3  TRP  22           HE3      TRP  22   8.205   3.836  -1.110
  176    HZ2  TRP  22           HZ2      TRP  22   7.973   5.457  -5.802
  177    HZ3  TRP  22           HZ3      TRP  22   8.945   6.134  -1.673
  178    HH2  TRP  22           HH2      TRP  22   8.831   6.947  -4.012
  179    H    LEU  23           HN       LEU  23   8.071   0.545   0.745
  180    HA   LEU  23           HA       LEU  23   9.886   2.737   1.192
  181   1HB   LEU  23          HB2       LEU  23   8.269   0.800   2.763
  182   2HB   LEU  23          HB1       LEU  23   9.619   1.535   3.621
  183    HG   LEU  23           HG       LEU  23   7.555   2.867   3.894
  184   1HD1  LEU  23          HD11      LEU  23   9.320   4.462   2.058
  185   2HD1  LEU  23          HD12      LEU  23   9.963   3.859   3.585
  186   3HD1  LEU  23          HD13      LEU  23   8.574   4.945   3.581
  187   1HD2  LEU  23          HD21      LEU  23   6.619   4.048   1.916
  188   2HD2  LEU  23          HD22      LEU  23   6.459   2.299   1.771
  189   3HD2  LEU  23          HD23      LEU  23   7.718   3.146   0.874
  190    H    LYS  24           HN       LYS  24  10.280  -0.809   1.448
  191    HA   LYS  24           HA       LYS  24  12.991  -0.628   2.537
  192   1HB   LYS  24          HB2       LYS  24  11.074  -2.502   2.575
  193   2HB   LYS  24          HB1       LYS  24  11.939  -3.058   1.141
  194   1HG   LYS  24          HG2       LYS  24  13.640  -2.341   3.464
  195   2HG   LYS  24          HG1       LYS  24  12.629  -3.772   3.672
  196   1HD   LYS  24          HD2       LYS  24  13.537  -4.745   1.614
  197   2HD   LYS  24          HD1       LYS  24  14.502  -3.296   1.333
  198   1HE   LYS  24          HE2       LYS  24  16.031  -3.826   2.986
  199   2HE   LYS  24          HE1       LYS  24  14.822  -4.664   3.977
  200   1HZ   LYS  24          HZ1       LYS  24  14.786  -6.482   2.463
  201   2HZ   LYS  24          HZ2       LYS  24  16.418  -6.171   2.815
  202   3HZ   LYS  24          HZ3       LYS  24  15.754  -5.659   1.338
  203    H    ALA  25           HN       ALA  25  11.543  -1.092  -0.679
  204    HA   ALA  25           HA       ALA  25  14.024  -1.689  -2.054
  205   1HB   ALA  25          HB1       ALA  25  11.823  -2.325  -2.903
  206   2HB   ALA  25          HB2       ALA  25  12.583  -1.224  -4.054
  207   3HB   ALA  25          HB3       ALA  25  11.327  -0.634  -2.964
  208    H    LYS  26           HN       LYS  26  12.491   1.294  -1.018
  209    HA   LYS  26           HA       LYS  26  13.659   3.120  -2.892
  210   1HB   LYS  26          HB2       LYS  26  11.782   3.602  -1.349
  211   2HB   LYS  26          HB1       LYS  26  12.881   3.471   0.024
  212   1HG   LYS  26          HG2       LYS  26  13.775   5.529  -0.336
  213   2HG   LYS  26          HG1       LYS  26  13.797   5.316  -2.087
  214   1HD   LYS  26          HD2       LYS  26  11.219   5.568  -1.941
  215   2HD   LYS  26          HD1       LYS  26  11.520   6.235  -0.337
  216   1HE   LYS  26          HE2       LYS  26  11.625   8.190  -1.597
  217   2HE   LYS  26          HE1       LYS  26  13.324   7.688  -1.703
  218   1HZ   LYS  26          HZ1       LYS  26  12.823   6.486  -3.733
  219   2HZ   LYS  26          HZ2       LYS  26  12.381   8.117  -3.906
  220   3HZ   LYS  26          HZ3       LYS  26  11.190   6.937  -3.636
  221    H    LEU  27           HN       LEU  27  14.839   1.882   0.254
  222    HA   LEU  27           HA       LEU  27  17.548   2.958  -0.455
  223   1HB   LEU  27          HB2       LEU  27  17.786   3.404   2.018
  224   2HB   LEU  27          HB1       LEU  27  16.555   4.386   1.229
  225    HG   LEU  27           HG       LEU  27  15.364   1.918   2.131
  226   1HD1  LEU  27          HD11      LEU  27  16.965   3.484   4.170
  227   2HD1  LEU  27          HD12      LEU  27  17.077   1.760   3.814
  228   3HD1  LEU  27          HD13      LEU  27  15.637   2.406   4.604
  229   1HD2  LEU  27          HD21      LEU  27  15.003   4.736   3.188
  230   2HD2  LEU  27          HD22      LEU  27  13.816   3.431   3.190
  231   3HD2  LEU  27          HD23      LEU  27  14.302   4.178   1.669
  232    H    MET  28           HN       MET  28  19.011   1.316  -0.580
  233    HA   MET  28           HA       MET  28  19.037  -0.859   1.394
  234   1HB   MET  28          HB2       MET  28  17.670  -1.088  -1.155
  235   2HB   MET  28          HB1       MET  28  18.985  -2.259  -1.055
  236   1HG   MET  28          HG2       MET  28  18.022  -2.681   1.365
  237   2HG   MET  28          HG1       MET  28  16.550  -1.994   0.676
  238   1HE   MET  28          HE1       MET  28  15.787  -4.057  -2.353
  239   2HE   MET  28          HE2       MET  28  15.922  -2.449  -1.644
  240   3HE   MET  28          HE3       MET  28  14.834  -3.632  -0.924
  241    HA   PRO  29           HA       PRO  29  22.813  -1.458  -1.464
  242   1HB   PRO  29          HB2       PRO  29  22.980  -0.005  -3.787
  243   2HB   PRO  29          HB1       PRO  29  22.232  -1.606  -3.688
  244   1HG   PRO  29          HG2       PRO  29  20.948   1.074  -3.754
  245   2HG   PRO  29          HG1       PRO  29  20.441  -0.441  -4.515
  246   1HD   PRO  29          HD2       PRO  29  19.321   0.534  -2.237
  247   2HD   PRO  29          HD1       PRO  29  19.396  -1.197  -2.629
  248    H    GLN  30           HN       GLN  30  22.293   1.828  -2.744
  249    HA   GLN  30           HA       GLN  30  23.348   3.873  -2.238
  250   1HB   GLN  30          HB2       GLN  30  22.840   2.451   0.333
  251   2HB   GLN  30          HB1       GLN  30  23.924   3.838   0.409
  252   1HG   GLN  30          HG2       GLN  30  21.272   4.015  -1.019
  253   2HG   GLN  30          HG1       GLN  30  21.387   4.271   0.722
  254   1HE2  GLN  30          HE21      GLN  30  20.706   6.324  -1.325
  255   2HE2  GLN  30          HE22      GLN  30  21.897   7.526  -1.200
  256    H    LEU  31           HN       LEU  31  25.478   4.527  -0.578
  257    HA   LEU  31           HA       LEU  31  27.692   2.858  -1.717
  258   1HB   LEU  31          HB2       LEU  31  27.342   5.759  -0.961
  259   2HB   LEU  31          HB1       LEU  31  28.955   5.069  -1.142
  260    HG   LEU  31           HG       LEU  31  26.966   4.554  -3.314
  261   1HD1  LEU  31          HD11      LEU  31  27.482   6.687  -4.391
  262   2HD1  LEU  31          HD12      LEU  31  28.506   7.152  -3.033
  263   3HD1  LEU  31          HD13      LEU  31  26.765   6.989  -2.808
  264   1HD2  LEU  31          HD21      LEU  31  29.936   5.189  -3.291
  265   2HD2  LEU  31          HD22      LEU  31  29.001   4.655  -4.687
  266   3HD2  LEU  31          HD23      LEU  31  29.248   3.565  -3.323
  Start of MODEL   34
    1   1H    SER   1           HT1      SER   1 -26.178   0.947  -3.761
    2   2H    SER   1           HT2      SER   1 -27.173   1.653  -4.942
    3   3H    SER   1           HT3      SER   1 -25.489   1.868  -5.006
    4    HA   SER   1           HA       SER   1 -27.010  -0.641  -5.498
    5   1HB   SER   1          HB2       SER   1 -26.744   1.253  -7.217
    6   2HB   SER   1          HB1       SER   1 -25.026   0.870  -7.217
    7    HG   SER   1           HG       SER   1 -26.099  -0.294  -8.834
    8    H    GLY   2           HN       GLY   2 -23.664   0.700  -5.620
    9   1HA   GLY   2          HA2       GLY   2 -22.661  -2.009  -4.862
   10   2HA   GLY   2          HA1       GLY   2 -21.710  -0.783  -5.697
   11    H    SER   3           HN       SER   3 -20.365  -1.666  -3.648
   12    HA   SER   3           HA       SER   3 -21.006  -0.018  -1.241
   13   1HB   SER   3          HB2       SER   3 -19.070  -1.545  -0.354
   14   2HB   SER   3          HB1       SER   3 -20.652  -2.261  -0.637
   15    HG   SER   3           HG       SER   3 -19.791  -3.450  -2.139
   16    H    TRP   4           HN       TRP   4 -20.172   2.032  -1.670
   17    HA   TRP   4           HA       TRP   4 -17.749   2.567  -3.126
   18   1HB   TRP   4          HB2       TRP   4 -19.882   3.963  -1.806
   19   2HB   TRP   4          HB1       TRP   4 -18.351   4.654  -1.270
   20    HD1  TRP   4           HD1      TRP   4 -20.773   5.137  -3.861
   21    HE1  TRP   4           HE1      TRP   4 -19.756   6.239  -5.957
   22    HE3  TRP   4           HE3      TRP   4 -15.804   4.440  -2.905
   23    HZ2  TRP   4           HZ2      TRP   4 -17.176   6.756  -7.081
   24    HZ3  TRP   4           HZ3      TRP   4 -14.091   5.245  -4.503
   25    HH2  TRP   4           HH2      TRP   4 -14.770   6.402  -6.587
   26    H    LEU   5           HN       LEU   5 -18.408   2.002   0.319
   27    HA   LEU   5           HA       LEU   5 -15.936   2.913   1.417
   28   1HB   LEU   5          HB2       LEU   5 -18.185   1.129   2.137
   29   2HB   LEU   5          HB1       LEU   5 -16.672   0.754   2.960
   30    HG   LEU   5           HG       LEU   5 -16.567   3.343   3.376
   31   1HD1  LEU   5          HD11      LEU   5 -19.508   2.858   2.815
   32   2HD1  LEU   5          HD12      LEU   5 -18.444   3.992   1.986
   33   3HD1  LEU   5          HD13      LEU   5 -18.890   4.272   3.668
   34   1HD2  LEU   5          HD21      LEU   5 -17.831   3.032   5.477
   35   2HD2  LEU   5          HD22      LEU   5 -16.825   1.624   5.136
   36   3HD2  LEU   5          HD23      LEU   5 -18.559   1.566   4.824
   37    H    ARG   6           HN       ARG   6 -16.865  -0.241   0.023
   38    HA   ARG   6           HA       ARG   6 -14.350  -1.574   0.530
   39   1HB   ARG   6          HB2       ARG   6 -16.775  -2.404  -0.131
   40   2HB   ARG   6          HB1       ARG   6 -16.175  -2.207  -1.777
   41   1HG   ARG   6          HG2       ARG   6 -14.694  -3.948  -1.593
   42   2HG   ARG   6          HG1       ARG   6 -14.383  -3.641   0.116
   43   1HD   ARG   6          HD2       ARG   6 -16.433  -4.713   0.777
   44   2HD   ARG   6          HD1       ARG   6 -17.007  -4.781  -0.901
   45    HE   ARG   6           HE       ARG   6 -14.427  -6.123  -0.356
   46   1HH1  ARG   6          HH21      ARG   6 -16.084  -6.746  -2.756
   47   2HH1  ARG   6          HH22      ARG   6 -16.850  -8.232  -2.307
   48   1HH2  ARG   6          HH11      ARG   6 -16.168  -7.864   1.081
   49   2HH2  ARG   6          HH12      ARG   6 -16.896  -8.869  -0.126
   50    H    ASP   7           HN       ASP   7 -15.634   0.343  -2.179
   51    HA   ASP   7           HA       ASP   7 -13.608  -0.136  -4.121
   52   1HB   ASP   7          HB2       ASP   7 -15.879   1.102  -4.231
   53   2HB   ASP   7          HB1       ASP   7 -14.999   2.507  -3.632
   54    H    ILE   8           HN       ILE   8 -13.728   2.173  -1.405
   55    HA   ILE   8           HA       ILE   8 -11.116   3.348  -2.128
   56    HB   ILE   8           HB       ILE   8 -13.174   3.750   0.063
   57   1HG1  ILE   8          HG12      ILE   8 -12.204   5.852  -1.841
   58   2HG1  ILE   8          HG11      ILE   8 -13.274   4.596  -2.465
   59   1HG2  ILE   8          HG21      ILE   8 -11.712   5.817   0.588
   60   2HG2  ILE   8          HG22      ILE   8 -10.421   4.957  -0.252
   61   3HG2  ILE   8          HG23      ILE   8 -11.152   4.258   1.194
   62   1HD1  ILE   8          HD11      ILE   8 -14.404   6.714  -1.554
   63   2HD1  ILE   8          HD12      ILE   8 -13.926   6.145   0.045
   64   3HD1  ILE   8          HD13      ILE   8 -15.011   5.173  -0.949
   65    H    TRP   9           HN       TRP   9 -12.481   1.323   0.501
   66    HA   TRP   9           HA       TRP   9 -10.123   1.072   2.079
   67   1HB   TRP   9          HB2       TRP   9 -12.475   0.426   2.680
   68   2HB   TRP   9          HB1       TRP   9 -12.326  -0.964   1.606
   69    HD1  TRP   9           HD1      TRP   9 -12.021  -3.013   3.084
   70    HE1  TRP   9           HE1      TRP   9 -10.517  -3.635   5.083
   71    HE3  TRP   9           HE3      TRP   9  -9.743   1.485   3.914
   72    HZ2  TRP   9           HZ2      TRP   9  -8.601  -2.391   6.805
   73    HZ3  TRP   9           HZ3      TRP   9  -8.085   1.736   5.736
   74    HH2  TRP   9           HH2      TRP   9  -7.512  -0.194   7.181
   75    H    ASP  10           HN       ASP  10 -11.249  -0.842  -0.721
   76    HA   ASP  10           HA       ASP  10  -9.284  -2.907  -0.643
   77   1HB   ASP  10          HB2       ASP  10 -11.266  -2.983  -2.056
   78   2HB   ASP  10          HB1       ASP  10 -10.747  -1.541  -2.928
   79    H    TRP  11           HN       TRP  11  -9.236   0.250  -2.345
   80    HA   TRP  11           HA       TRP  11  -6.632  -0.020  -3.508
   81   1HB   TRP  11          HB2       TRP  11  -8.266   1.637  -4.236
   82   2HB   TRP  11          HB1       TRP  11  -8.285   2.377  -2.636
   83    HD1  TRP  11           HD1      TRP  11  -6.030   1.939  -5.707
   84    HE1  TRP  11           HE1      TRP  11  -4.216   3.769  -5.660
   85    HE3  TRP  11           HE3      TRP  11  -6.992   4.019  -1.145
   86    HZ2  TRP  11           HZ2      TRP  11  -3.295   5.844  -3.919
   87    HZ3  TRP  11           HZ3      TRP  11  -5.632   5.919  -0.316
   88    HH2  TRP  11           HH2      TRP  11  -3.787   6.832  -1.697
   89    H    ILE  12           HN       ILE  12  -7.697   1.356  -0.377
   90    HA   ILE  12           HA       ILE  12  -5.180   2.355   0.516
   91    HB   ILE  12           HB       ILE  12  -7.620   1.215   1.916
   92   1HG1  ILE  12          HG12      ILE  12  -6.614   4.069   1.753
   93   2HG1  ILE  12          HG11      ILE  12  -7.719   3.382   0.563
   94   1HG2  ILE  12          HG21      ILE  12  -6.566   2.617   3.889
   95   2HG2  ILE  12          HG22      ILE  12  -5.052   2.290   3.047
   96   3HG2  ILE  12          HG23      ILE  12  -6.048   0.953   3.620
   97   1HD1  ILE  12          HD11      ILE  12  -9.267   2.783   2.462
   98   2HD1  ILE  12          HD12      ILE  12  -9.052   4.517   2.232
   99   3HD1  ILE  12          HD13      ILE  12  -8.205   3.689   3.539
  100    H    CYS  13           HN       CYS  13  -6.578  -0.914   0.629
  101    HA   CYS  13           HA       CYS  13  -4.493  -2.097   2.263
  102   1HB   CYS  13          HB2       CYS  13  -6.871  -2.907   1.847
  103   2HB   CYS  13          HB1       CYS  13  -6.337  -3.417   0.246
  104    HG   CYS  13           HG       CYS  13  -4.716  -5.123   1.359
  105    H    GLU  14           HN       GLU  14  -5.041  -1.809  -1.262
  106    HA   GLU  14           HA       GLU  14  -2.855  -3.458  -2.109
  107   1HB   GLU  14          HB2       GLU  14  -4.752  -1.489  -3.204
  108   2HB   GLU  14          HB1       GLU  14  -3.218  -1.550  -4.068
  109   1HG   GLU  14          HG2       GLU  14  -4.202  -4.221  -3.428
  110   2HG   GLU  14          HG1       GLU  14  -5.360  -3.310  -4.396
  111    H    VAL  15           HN       VAL  15  -3.097   0.028  -1.458
  112    HA   VAL  15           HA       VAL  15  -0.389   0.699  -2.211
  113    HB   VAL  15           HB       VAL  15  -2.365   2.004  -0.303
  114   1HG1  VAL  15          HG11      VAL  15  -0.495   3.226   0.207
  115   2HG1  VAL  15          HG12      VAL  15  -0.880   4.038  -1.311
  116   3HG1  VAL  15          HG13      VAL  15   0.338   2.763  -1.277
  117   1HG2  VAL  15          HG21      VAL  15  -1.891   3.193  -2.953
  118   2HG2  VAL  15          HG22      VAL  15  -3.413   2.871  -2.122
  119   3HG2  VAL  15          HG23      VAL  15  -2.613   1.585  -3.026
  120    H    LEU  16           HN       LEU  16  -1.891  -0.392   0.823
  121    HA   LEU  16           HA       LEU  16   0.285   0.117   2.609
  122   1HB   LEU  16          HB2       LEU  16  -2.108  -0.536   3.134
  123   2HB   LEU  16          HB1       LEU  16  -1.700  -2.182   2.652
  124    HG   LEU  16           HG       LEU  16   0.239  -1.063   4.538
  125   1HD1  LEU  16          HD11      LEU  16  -2.657  -1.360   5.393
  126   2HD1  LEU  16          HD12      LEU  16  -1.706   0.126   5.416
  127   3HD1  LEU  16          HD13      LEU  16  -1.294  -1.202   6.502
  128   1HD2  LEU  16          HD21      LEU  16  -1.568  -3.503   4.603
  129   2HD2  LEU  16          HD22      LEU  16  -0.174  -3.227   5.648
  130   3HD2  LEU  16          HD23      LEU  16   0.055  -3.454   3.914
  131    H    SER  17           HN       SER  17  -0.506  -2.760   0.623
  132    HA   SER  17           HA       SER  17   1.723  -4.374   1.465
  133   1HB   SER  17          HB2       SER  17  -0.210  -4.269  -0.827
  134   2HB   SER  17          HB1       SER  17   1.188  -5.333  -0.964
  135    HG   SER  17           HG       SER  17  -0.921  -6.058   0.122
  136    H    ASP  18           HN       ASP  18   1.285  -2.016  -1.172
  137    HA   ASP  18           HA       ASP  18   3.886  -2.402  -2.381
  138   1HB   ASP  18          HB2       ASP  18   1.984  -1.379  -3.548
  139   2HB   ASP  18          HB1       ASP  18   1.924  -0.080  -2.355
  140    H    PHE  19           HN       PHE  19   2.596  -0.164   0.083
  141    HA   PHE  19           HA       PHE  19   4.811   1.546   0.452
  142   1HB   PHE  19          HB2       PHE  19   2.362   1.004   1.663
  143   2HB   PHE  19          HB1       PHE  19   3.525   0.633   2.933
  144    HD1  PHE  19           HD1      PHE  19   5.534   2.415   3.102
  145    HD2  PHE  19           HD2      PHE  19   1.631   3.211   1.492
  146    HE1  PHE  19           HE1      PHE  19   5.856   4.837   3.522
  147    HE2  PHE  19           HE2      PHE  19   1.954   5.634   1.913
  148    HZ   PHE  19           HZ       PHE  19   4.066   6.446   2.927
  149    H    LYS  20           HN       LYS  20   4.172  -1.660   1.892
  150    HA   LYS  20           HA       LYS  20   6.528  -1.828   3.516
  151   1HB   LYS  20          HB2       LYS  20   4.477  -3.268   3.629
  152   2HB   LYS  20          HB1       LYS  20   4.958  -4.017   2.107
  153   1HG   LYS  20          HG2       LYS  20   5.876  -5.520   3.619
  154   2HG   LYS  20          HG1       LYS  20   7.237  -4.423   3.396
  155   1HD   LYS  20          HD2       LYS  20   7.036  -3.520   5.493
  156   2HD   LYS  20          HD1       LYS  20   5.279  -3.673   5.505
  157   1HE   LYS  20          HE2       LYS  20   7.008  -6.147   5.603
  158   2HE   LYS  20          HE1       LYS  20   6.652  -5.238   7.085
  159   1HZ   LYS  20          HZ1       LYS  20   4.613  -6.192   5.138
  160   2HZ   LYS  20          HZ2       LYS  20   4.303  -5.368   6.591
  161   3HZ   LYS  20          HZ3       LYS  20   4.956  -6.937   6.623
  162    H    THR  21           HN       THR  21   5.867  -2.976   0.178
  163    HA   THR  21           HA       THR  21   8.499  -4.043  -0.316
  164    HB   THR  21           HB       THR  21   6.430  -2.908  -2.234
  165    HG1  THR  21           HG1      THR  21   5.289  -4.551  -1.658
  166   1HG2  THR  21          HG21      THR  21   8.078  -3.389  -3.720
  167   2HG2  THR  21          HG22      THR  21   7.601  -5.065  -3.452
  168   3HG2  THR  21          HG23      THR  21   8.962  -4.383  -2.563
  169    H    TRP  22           HN       TRP  22   7.032  -0.840  -0.887
  170    HA   TRP  22           HA       TRP  22   9.097   0.408  -2.371
  171   1HB   TRP  22          HB2       TRP  22   6.728   1.170  -1.542
  172   2HB   TRP  22          HB1       TRP  22   7.597   1.767  -0.134
  173    HD1  TRP  22           HD1      TRP  22   6.976   2.477  -3.785
  174    HE1  TRP  22           HE1      TRP  22   8.123   4.695  -4.431
  175    HE3  TRP  22           HE3      TRP  22   9.718   3.312   0.439
  176    HZ2  TRP  22           HZ2      TRP  22   9.963   6.574  -3.302
  177    HZ3  TRP  22           HZ3      TRP  22  11.157   5.320   0.630
  178    HH2  TRP  22           HH2      TRP  22  11.283   6.951  -1.234
  179    H    LEU  23           HN       LEU  23   8.673   0.201   1.168
  180    HA   LEU  23           HA       LEU  23  11.122   1.551   1.871
  181   1HB   LEU  23          HB2       LEU  23   8.955   0.003   3.137
  182   2HB   LEU  23          HB1       LEU  23  10.506  -0.152   3.963
  183    HG   LEU  23           HG       LEU  23  10.610   2.454   3.698
  184   1HD1  LEU  23          HD11      LEU  23   8.436   3.538   3.653
  185   2HD1  LEU  23          HD12      LEU  23   7.616   1.979   3.599
  186   3HD1  LEU  23          HD13      LEU  23   8.580   2.517   2.224
  187   1HD2  LEU  23          HD21      LEU  23  10.428   1.251   5.849
  188   2HD2  LEU  23          HD22      LEU  23   8.683   1.113   5.626
  189   3HD2  LEU  23          HD23      LEU  23   9.421   2.699   5.853
  190    H    LYS  24           HN       LYS  24  10.298  -1.909   1.442
  191    HA   LYS  24           HA       LYS  24  12.848  -2.971   2.250
  192   1HB   LYS  24          HB2       LYS  24  10.451  -3.867   0.682
  193   2HB   LYS  24          HB1       LYS  24  11.906  -4.863   0.625
  194   1HG   LYS  24          HG2       LYS  24  11.927  -4.809   3.158
  195   2HG   LYS  24          HG1       LYS  24  10.339  -4.046   3.085
  196   1HD   LYS  24          HD2       LYS  24   9.703  -6.268   3.238
  197   2HD   LYS  24          HD1       LYS  24   9.800  -6.097   1.485
  198   1HE   LYS  24          HE2       LYS  24  12.389  -6.745   2.036
  199   2HE   LYS  24          HE1       LYS  24  11.553  -7.635   3.325
  200   1HZ   LYS  24          HZ1       LYS  24   9.969  -8.416   1.573
  201   2HZ   LYS  24          HZ2       LYS  24  11.549  -9.019   1.405
  202   3HZ   LYS  24          HZ3       LYS  24  11.010  -7.756   0.406
  203    H    ALA  25           HN       ALA  25  11.538  -2.016  -0.937
  204    HA   ALA  25           HA       ALA  25  13.766  -2.844  -2.536
  205   1HB   ALA  25          HB1       ALA  25  12.752  -1.288  -4.171
  206   2HB   ALA  25          HB2       ALA  25  11.792  -0.560  -2.884
  207   3HB   ALA  25          HB3       ALA  25  11.508  -2.235  -3.357
  208    H    LYS  26           HN       LYS  26  13.125   0.155  -0.731
  209    HA   LYS  26           HA       LYS  26  15.463   1.568  -1.770
  210   1HB   LYS  26          HB2       LYS  26  13.363   1.961   0.349
  211   2HB   LYS  26          HB1       LYS  26  14.773   3.019   0.324
  212   1HG   LYS  26          HG2       LYS  26  13.425   2.571  -2.288
  213   2HG   LYS  26          HG1       LYS  26  12.536   3.531  -1.106
  214   1HD   LYS  26          HD2       LYS  26  15.435   4.096  -1.736
  215   2HD   LYS  26          HD1       LYS  26  14.130   4.801  -2.689
  216   1HE   LYS  26          HE2       LYS  26  13.199   5.410  -0.235
  217   2HE   LYS  26          HE1       LYS  26  14.937   5.381   0.126
  218   1HZ   LYS  26          HZ1       LYS  26  14.351   7.557  -0.676
  219   2HZ   LYS  26          HZ2       LYS  26  13.606   6.901  -2.057
  220   3HZ   LYS  26          HZ3       LYS  26  15.290   6.781  -1.857
  221    H    LEU  27           HN       LEU  27  14.708  -0.326   1.148
  222    HA   LEU  27           HA       LEU  27  17.248   0.276   2.468
  223   1HB   LEU  27          HB2       LEU  27  15.005  -0.289   3.531
  224   2HB   LEU  27          HB1       LEU  27  15.266  -1.953   3.009
  225    HG   LEU  27           HG       LEU  27  17.668  -1.090   4.270
  226   1HD1  LEU  27          HD11      LEU  27  15.134  -0.244   5.654
  227   2HD1  LEU  27          HD12      LEU  27  16.671   0.612   5.530
  228   3HD1  LEU  27          HD13      LEU  27  16.519  -0.777   6.607
  229   1HD2  LEU  27          HD21      LEU  27  15.473  -2.909   5.312
  230   2HD2  LEU  27          HD22      LEU  27  17.175  -2.943   5.774
  231   3HD2  LEU  27          HD23      LEU  27  16.696  -3.396   4.138
  232    H    MET  28           HN       MET  28  16.021  -2.283   0.343
  233    HA   MET  28           HA       MET  28  18.006  -4.277   0.830
  234   1HB   MET  28          HB2       MET  28  15.842  -4.479  -0.447
  235   2HB   MET  28          HB1       MET  28  16.597  -3.590  -1.770
  236   1HG   MET  28          HG2       MET  28  16.998  -5.790  -2.422
  237   2HG   MET  28          HG1       MET  28  18.478  -5.426  -1.534
  238   1HE   MET  28          HE1       MET  28  18.688  -7.912  -1.714
  239   2HE   MET  28          HE2       MET  28  18.345  -8.910  -0.303
  240   3HE   MET  28          HE3       MET  28  19.363  -7.482  -0.137
  241    HA   PRO  29           HA       PRO  29  21.424  -1.982  -0.947
  242   1HB   PRO  29          HB2       PRO  29  23.353  -3.820  -0.329
  243   2HB   PRO  29          HB1       PRO  29  22.689  -2.679   0.855
  244   1HG   PRO  29          HG2       PRO  29  22.100  -5.562   0.468
  245   2HG   PRO  29          HG1       PRO  29  22.177  -4.614   1.960
  246   1HD   PRO  29          HD2       PRO  29  19.844  -5.368   0.704
  247   2HD   PRO  29          HD1       PRO  29  19.992  -3.994   1.821
  248    H    GLN  30           HN       GLN  30  23.373  -2.831  -2.419
  249    HA   GLN  30           HA       GLN  30  24.032  -3.739  -4.484
  250   1HB   GLN  30          HB2       GLN  30  22.237  -5.932  -3.401
  251   2HB   GLN  30          HB1       GLN  30  23.243  -6.121  -4.836
  252   1HG   GLN  30          HG2       GLN  30  25.214  -5.393  -3.374
  253   2HG   GLN  30          HG1       GLN  30  24.141  -5.617  -1.992
  254   1HE2  GLN  30          HE21      GLN  30  22.806  -7.925  -2.399
  255   2HE2  GLN  30          HE22      GLN  30  23.852  -9.229  -2.693
  256    H    LEU  31           HN       LEU  31  20.817  -5.253  -4.641
  257    HA   LEU  31           HA       LEU  31  20.124  -3.360  -6.868
  258   1HB   LEU  31          HB2       LEU  31  20.614  -6.109  -6.921
  259   2HB   LEU  31          HB1       LEU  31  18.856  -6.001  -6.911
  260    HG   LEU  31           HG       LEU  31  19.684  -5.984  -9.219
  261   1HD1  LEU  31          HD11      LEU  31  18.790  -3.189  -8.466
  262   2HD1  LEU  31          HD12      LEU  31  17.699  -4.572  -8.539
  263   3HD1  LEU  31          HD13      LEU  31  18.524  -4.022  -9.997
  264   1HD2  LEU  31          HD21      LEU  31  21.222  -4.358 -10.038
  265   2HD2  LEU  31          HD22      LEU  31  21.923  -4.938  -8.528
  266   3HD2  LEU  31          HD23      LEU  31  21.091  -3.385  -8.573
  Start of MODEL   35
    1   1H    SER   1           HT1      SER   1 -17.817  -3.416 -10.296
    2   2H    SER   1           HT2      SER   1 -18.607  -4.900 -10.541
    3   3H    SER   1           HT3      SER   1 -16.923  -4.858 -10.313
    4    HA   SER   1           HA       SER   1 -18.043  -5.608  -8.288
    5   1HB   SER   1          HB2       SER   1 -16.872  -2.813  -8.096
    6   2HB   SER   1          HB1       SER   1 -16.820  -4.065  -6.859
    7    HG   SER   1           HG       SER   1 -14.885  -3.870  -8.159
    8    H    GLY   2           HN       GLY   2 -18.696  -2.099  -8.764
    9   1HA   GLY   2          HA2       GLY   2 -20.757  -0.949  -8.518
   10   2HA   GLY   2          HA1       GLY   2 -21.534  -2.481  -8.115
   11    H    SER   3           HN       SER   3 -18.610  -1.417  -6.483
   12    HA   SER   3           HA       SER   3 -20.211  -1.033  -3.978
   13   1HB   SER   3          HB2       SER   3 -17.883  -1.700  -2.987
   14   2HB   SER   3          HB1       SER   3 -18.877  -2.956  -3.715
   15    HG   SER   3           HG       SER   3 -16.710  -1.541  -4.898
   16    H    TRP   4           HN       TRP   4 -19.966   0.919  -2.931
   17    HA   TRP   4           HA       TRP   4 -18.143   2.938  -4.144
   18   1HB   TRP   4          HB2       TRP   4 -20.736   3.055  -3.509
   19   2HB   TRP   4          HB1       TRP   4 -20.082   3.509  -1.936
   20    HD1  TRP   4           HD1      TRP   4 -20.638   4.795  -5.419
   21    HE1  TRP   4           HE1      TRP   4 -19.829   7.238  -5.582
   22    HE3  TRP   4           HE3      TRP   4 -18.196   5.218  -0.952
   23    HZ2  TRP   4           HZ2      TRP   4 -18.343   9.121  -4.024
   24    HZ3  TRP   4           HZ3      TRP   4 -17.096   7.345  -0.318
   25    HH2  TRP   4           HH2      TRP   4 -17.166   9.295  -1.847
   26    H    LEU   5           HN       LEU   5 -18.674   1.188  -1.102
   27    HA   LEU   5           HA       LEU   5 -16.540   2.773   0.244
   28   1HB   LEU   5          HB2       LEU   5 -18.840   1.050   1.004
   29   2HB   LEU   5          HB1       LEU   5 -17.440   0.974   2.075
   30    HG   LEU   5           HG       LEU   5 -18.561   3.625   1.170
   31   1HD1  LEU   5          HD11      LEU   5 -20.415   2.373   2.201
   32   2HD1  LEU   5          HD12      LEU   5 -19.876   3.673   3.263
   33   3HD1  LEU   5          HD13      LEU   5 -19.401   2.007   3.595
   34   1HD2  LEU   5          HD21      LEU   5 -16.654   2.601   3.235
   35   2HD2  LEU   5          HD22      LEU   5 -17.609   4.029   3.636
   36   3HD2  LEU   5          HD23      LEU   5 -16.547   4.045   2.227
   37    H    ARG   6           HN       ARG   6 -17.361  -0.669  -0.390
   38    HA   ARG   6           HA       ARG   6 -14.998  -1.877   0.577
   39   1HB   ARG   6          HB2       ARG   6 -17.317  -2.616  -0.754
   40   2HB   ARG   6          HB1       ARG   6 -16.056  -3.018  -1.918
   41   1HG   ARG   6          HG2       ARG   6 -15.665  -4.895  -0.738
   42   2HG   ARG   6          HG1       ARG   6 -15.063  -3.877   0.570
   43   1HD   ARG   6          HD2       ARG   6 -17.730  -3.634   1.011
   44   2HD   ARG   6          HD1       ARG   6 -17.680  -5.268   0.319
   45    HE   ARG   6           HE       ARG   6 -15.995  -4.418   2.650
   46   1HH1  ARG   6          HH21      ARG   6 -15.012  -6.884   1.433
   47   2HH1  ARG   6          HH22      ARG   6 -15.912  -8.125   2.239
   48   1HH2  ARG   6          HH11      ARG   6 -18.350  -5.949   3.424
   49   2HH2  ARG   6          HH12      ARG   6 -17.810  -7.592   3.371
   50    H    ASP   7           HN       ASP   7 -15.598  -0.303  -2.555
   51    HA   ASP   7           HA       ASP   7 -13.193  -1.106  -3.895
   52   1HB   ASP   7          HB2       ASP   7 -15.481   0.559  -4.291
   53   2HB   ASP   7          HB1       ASP   7 -14.056   1.530  -4.655
   54    H    ILE   8           HN       ILE   8 -13.964   1.831  -1.986
   55    HA   ILE   8           HA       ILE   8 -11.411   3.105  -2.224
   56    HB   ILE   8           HB       ILE   8 -13.623   3.171  -0.146
   57   1HG1  ILE   8          HG12      ILE   8 -12.813   5.179  -2.275
   58   2HG1  ILE   8          HG11      ILE   8 -14.093   3.985  -2.486
   59   1HG2  ILE   8          HG21      ILE   8 -11.717   3.942   1.050
   60   2HG2  ILE   8          HG22      ILE   8 -12.508   5.409   0.474
   61   3HG2  ILE   8          HG23      ILE   8 -11.079   4.793  -0.357
   62   1HD1  ILE   8          HD11      ILE   8 -14.050   6.005  -0.227
   63   2HD1  ILE   8          HD12      ILE   8 -15.379   4.936  -0.677
   64   3HD1  ILE   8          HD13      ILE   8 -14.910   6.258  -1.746
   65    H    TRP   9           HN       TRP   9 -12.717   0.904   0.285
   66    HA   TRP   9           HA       TRP   9 -10.454   0.873   2.017
   67   1HB   TRP   9          HB2       TRP   9 -12.695  -1.039   1.353
   68   2HB   TRP   9          HB1       TRP   9 -11.475  -1.464   2.553
   69    HD1  TRP   9           HD1      TRP   9 -14.744   0.000   2.412
   70    HE1  TRP   9           HE1      TRP   9 -15.219   1.527   4.436
   71    HE3  TRP   9           HE3      TRP   9  -9.996   0.606   4.193
   72    HZ2  TRP   9           HZ2      TRP   9 -13.773   2.832   6.532
   73    HZ3  TRP   9           HZ3      TRP   9  -9.574   1.993   6.203
   74    HH2  TRP   9           HH2      TRP   9 -11.455   3.106   7.374
   75    H    ASP  10           HN       ASP  10 -11.194  -1.064  -0.885
   76    HA   ASP  10           HA       ASP  10  -9.016  -2.918  -0.688
   77   1HB   ASP  10          HB2       ASP  10 -10.886  -3.282  -2.179
   78   2HB   ASP  10          HB1       ASP  10 -10.591  -1.753  -3.006
   79    H    TRP  11           HN       TRP  11  -9.287   0.236  -2.378
   80    HA   TRP  11           HA       TRP  11  -6.632   0.282  -3.457
   81   1HB   TRP  11          HB2       TRP  11  -8.438   1.760  -4.200
   82   2HB   TRP  11          HB1       TRP  11  -8.538   2.487  -2.596
   83    HD1  TRP  11           HD1      TRP  11  -6.216   2.262  -5.640
   84    HE1  TRP  11           HE1      TRP  11  -4.570   4.245  -5.564
   85    HE3  TRP  11           HE3      TRP  11  -7.426   4.239  -1.091
   86    HZ2  TRP  11           HZ2      TRP  11  -3.862   6.390  -3.805
   87    HZ3  TRP  11           HZ3      TRP  11  -6.252   6.247  -0.239
   88    HH2  TRP  11           HH2      TRP  11  -4.473   7.325  -1.589
   89    H    ILE  12           HN       ILE  12  -7.959   1.432  -0.346
   90    HA   ILE  12           HA       ILE  12  -5.612   2.696   0.676
   91    HB   ILE  12           HB       ILE  12  -7.968   1.253   1.933
   92   1HG1  ILE  12          HG12      ILE  12  -7.322   4.202   1.995
   93   2HG1  ILE  12          HG11      ILE  12  -8.144   3.485   0.611
   94   1HG2  ILE  12          HG21      ILE  12  -7.192   2.659   4.001
   95   2HG2  ILE  12          HG22      ILE  12  -5.611   2.620   3.220
   96   3HG2  ILE  12          HG23      ILE  12  -6.405   1.114   3.680
   97   1HD1  ILE  12          HD11      ILE  12  -9.702   4.420   2.361
   98   2HD1  ILE  12          HD12      ILE  12  -9.106   3.183   3.468
   99   3HD1  ILE  12          HD13      ILE  12  -9.963   2.714   2.000
  100    H    CYS  13           HN       CYS  13  -6.610  -0.704   0.565
  101    HA   CYS  13           HA       CYS  13  -4.458  -1.702   2.260
  102   1HB   CYS  13          HB2       CYS  13  -6.775  -2.711   1.674
  103   2HB   CYS  13          HB1       CYS  13  -6.019  -3.228   0.166
  104    HG   CYS  13           HG       CYS  13  -5.014  -5.103   1.417
  105    H    GLU  14           HN       GLU  14  -4.973  -1.299  -1.247
  106    HA   GLU  14           HA       GLU  14  -2.661  -2.694  -2.190
  107   1HB   GLU  14          HB2       GLU  14  -4.803  -1.170  -3.195
  108   2HB   GLU  14          HB1       GLU  14  -3.352  -0.325  -3.729
  109   1HG   GLU  14          HG2       GLU  14  -2.495  -2.663  -4.449
  110   2HG   GLU  14          HG1       GLU  14  -4.178  -3.170  -4.296
  111    H    VAL  15           HN       VAL  15  -3.136   0.645  -1.120
  112    HA   VAL  15           HA       VAL  15  -0.510   1.631  -1.807
  113    HB   VAL  15           HB       VAL  15  -2.566   2.480   0.268
  114   1HG1  VAL  15          HG11      VAL  15  -0.151   3.925  -0.859
  115   2HG1  VAL  15          HG12      VAL  15  -0.429   3.479   0.825
  116   3HG1  VAL  15          HG13      VAL  15  -1.429   4.715   0.063
  117   1HG2  VAL  15          HG21      VAL  15  -2.185   4.077  -2.179
  118   2HG2  VAL  15          HG22      VAL  15  -3.677   3.536  -1.412
  119   3HG2  VAL  15          HG23      VAL  15  -2.793   2.449  -2.482
  120    H    LEU  16           HN       LEU  16  -1.875   0.102   1.107
  121    HA   LEU  16           HA       LEU  16   0.382   0.496   2.843
  122   1HB   LEU  16          HB2       LEU  16  -2.087  -0.244   3.267
  123   2HB   LEU  16          HB1       LEU  16  -1.490  -1.869   2.931
  124    HG   LEU  16           HG       LEU  16   0.330  -0.539   4.728
  125   1HD1  LEU  16          HD11      LEU  16  -1.128  -0.191   6.641
  126   2HD1  LEU  16          HD12      LEU  16  -2.533  -0.718   5.714
  127   3HD1  LEU  16          HD13      LEU  16  -1.719   0.792   5.301
  128   1HD2  LEU  16          HD21      LEU  16   0.235  -2.925   4.605
  129   2HD2  LEU  16          HD22      LEU  16  -1.508  -2.941   4.873
  130   3HD2  LEU  16          HD23      LEU  16  -0.419  -2.504   6.188
  131    H    SER  17           HN       SER  17  -0.559  -2.296   0.779
  132    HA   SER  17           HA       SER  17   1.688  -3.954   1.430
  133   1HB   SER  17          HB2       SER  17   1.050  -4.983  -0.846
  134   2HB   SER  17          HB1       SER  17  -0.213  -4.927   0.376
  135    HG   SER  17           HG       SER  17   0.159  -3.305  -1.906
  136    H    ASP  18           HN       ASP  18   1.236  -1.410  -1.016
  137    HA   ASP  18           HA       ASP  18   3.684  -1.854  -2.469
  138   1HB   ASP  18          HB2       ASP  18   1.568  -0.455  -3.016
  139   2HB   ASP  18          HB1       ASP  18   2.306   0.805  -2.025
  140    H    PHE  19           HN       PHE  19   2.860   0.300   0.271
  141    HA   PHE  19           HA       PHE  19   5.376   1.589   0.588
  142   1HB   PHE  19          HB2       PHE  19   2.879   1.403   1.888
  143   2HB   PHE  19          HB1       PHE  19   4.069   0.946   3.104
  144    HD1  PHE  19           HD1      PHE  19   2.431   3.674   1.589
  145    HD2  PHE  19           HD2      PHE  19   6.254   2.474   3.139
  146    HE1  PHE  19           HE1      PHE  19   3.064   6.054   1.874
  147    HE2  PHE  19           HE2      PHE  19   6.887   4.854   3.422
  148    HZ   PHE  19           HZ       PHE  19   5.291   6.646   2.790
  149    H    LYS  20           HN       LYS  20   4.192  -1.543   1.784
  150    HA   LYS  20           HA       LYS  20   6.396  -2.212   3.486
  151   1HB   LYS  20          HB2       LYS  20   4.285  -3.702   1.935
  152   2HB   LYS  20          HB1       LYS  20   5.537  -4.602   2.790
  153   1HG   LYS  20          HG2       LYS  20   4.492  -2.518   4.496
  154   2HG   LYS  20          HG1       LYS  20   3.169  -3.510   3.882
  155   1HD   LYS  20          HD2       LYS  20   5.281  -5.287   4.568
  156   2HD   LYS  20          HD1       LYS  20   5.102  -4.160   5.911
  157   1HE   LYS  20          HE2       LYS  20   3.586  -5.998   6.331
  158   2HE   LYS  20          HE1       LYS  20   2.587  -4.629   5.809
  159   1HZ   LYS  20          HZ1       LYS  20   2.302  -6.912   4.641
  160   2HZ   LYS  20          HZ2       LYS  20   3.712  -6.475   3.800
  161   3HZ   LYS  20          HZ3       LYS  20   2.323  -5.499   3.704
  162    H    THR  21           HN       THR  21   5.819  -2.801  -0.002
  163    HA   THR  21           HA       THR  21   8.368  -4.192  -0.377
  164    HB   THR  21           HB       THR  21   6.545  -2.903  -2.433
  165    HG1  THR  21           HG1      THR  21   5.132  -4.348  -1.922
  166   1HG2  THR  21          HG21      THR  21   8.728  -4.945  -2.459
  167   2HG2  THR  21          HG22      THR  21   8.363  -3.678  -3.630
  168   3HG2  THR  21          HG23      THR  21   7.389  -5.146  -3.588
  169    H    TRP  22           HN       TRP  22   7.177  -0.871  -0.746
  170    HA   TRP  22           HA       TRP  22   9.268   0.305  -2.253
  171   1HB   TRP  22          HB2       TRP  22   7.012   1.183  -1.188
  172   2HB   TRP  22          HB1       TRP  22   8.052   1.644   0.155
  173    HD1  TRP  22           HD1      TRP  22   7.480   2.345  -3.568
  174    HE1  TRP  22           HE1      TRP  22   8.612   4.583  -4.164
  175    HE3  TRP  22           HE3      TRP  22   9.891   3.308   0.827
  176    HZ2  TRP  22           HZ2      TRP  22  10.316   6.527  -2.936
  177    HZ3  TRP  22           HZ3      TRP  22  11.261   5.357   1.088
  178    HH2  TRP  22           HH2      TRP  22  11.476   6.967  -0.787
  179    H    LEU  23           HN       LEU  23   8.994  -0.078   1.290
  180    HA   LEU  23           HA       LEU  23  11.601   0.965   1.934
  181   1HB   LEU  23          HB2       LEU  23   9.384  -0.529   3.233
  182   2HB   LEU  23          HB1       LEU  23  10.964  -0.705   3.995
  183    HG   LEU  23           HG       LEU  23  11.103   1.886   3.795
  184   1HD1  LEU  23          HD11      LEU  23   9.157   2.174   2.332
  185   2HD1  LEU  23          HD12      LEU  23   8.868   2.975   3.876
  186   3HD1  LEU  23          HD13      LEU  23   8.116   1.416   3.537
  187   1HD2  LEU  23          HD21      LEU  23  10.815   0.557   5.910
  188   2HD2  LEU  23          HD22      LEU  23   9.068   0.675   5.693
  189   3HD2  LEU  23          HD23      LEU  23  10.023   2.133   5.960
  190    H    LYS  24           HN       LYS  24  10.402  -2.333   1.267
  191    HA   LYS  24           HA       LYS  24  12.799  -3.768   1.924
  192   1HB   LYS  24          HB2       LYS  24  10.361  -4.195   0.217
  193   2HB   LYS  24          HB1       LYS  24  11.686  -5.354   0.114
  194   1HG   LYS  24          HG2       LYS  24  11.596  -5.595   2.610
  195   2HG   LYS  24          HG1       LYS  24  10.163  -4.564   2.613
  196   1HD   LYS  24          HD2       LYS  24   9.611  -6.472   0.654
  197   2HD   LYS  24          HD1       LYS  24  10.402  -7.392   1.933
  198   1HE   LYS  24          HE2       LYS  24   8.795  -6.673   3.573
  199   2HE   LYS  24          HE1       LYS  24   8.115  -5.467   2.463
  200   1HZ   LYS  24          HZ1       LYS  24   6.728  -7.373   2.332
  201   2HZ   LYS  24          HZ2       LYS  24   8.053  -8.424   2.177
  202   3HZ   LYS  24          HZ3       LYS  24   7.655  -7.359   0.912
  203    H    ALA  25           HN       ALA  25  11.654  -2.305  -1.128
  204    HA   ALA  25           HA       ALA  25  13.772  -3.184  -2.831
  205   1HB   ALA  25          HB1       ALA  25  12.326  -0.524  -2.964
  206   2HB   ALA  25          HB2       ALA  25  11.528  -2.048  -3.360
  207   3HB   ALA  25          HB3       ALA  25  12.913  -1.504  -4.308
  208    H    LYS  26           HN       LYS  26  13.508  -0.376  -0.652
  209    HA   LYS  26           HA       LYS  26  15.944   0.935  -1.469
  210   1HB   LYS  26          HB2       LYS  26  14.184   0.952   0.993
  211   2HB   LYS  26          HB1       LYS  26  15.615   1.975   0.874
  212   1HG   LYS  26          HG2       LYS  26  13.894   2.083  -1.510
  213   2HG   LYS  26          HG1       LYS  26  13.106   2.660  -0.042
  214   1HD   LYS  26          HD2       LYS  26  14.148   4.620  -0.611
  215   2HD   LYS  26          HD1       LYS  26  15.502   3.875   0.238
  216   1HE   LYS  26          HE2       LYS  26  15.984   2.806  -2.156
  217   2HE   LYS  26          HE1       LYS  26  15.085   4.232  -2.710
  218   1HZ   LYS  26          HZ1       LYS  26  17.448   4.730  -2.449
  219   2HZ   LYS  26          HZ2       LYS  26  17.380   4.269  -0.816
  220   3HZ   LYS  26          HZ3       LYS  26  16.516   5.630  -1.354
  221    H    LEU  27           HN       LEU  27  15.203  -1.467   1.074
  222    HA   LEU  27           HA       LEU  27  18.065  -2.233   1.158
  223   1HB   LEU  27          HB2       LEU  27  17.629  -0.304   2.753
  224   2HB   LEU  27          HB1       LEU  27  16.558  -1.382   3.648
  225    HG   LEU  27           HG       LEU  27  18.554  -3.008   3.737
  226   1HD1  LEU  27          HD11      LEU  27  19.904  -1.883   2.005
  227   2HD1  LEU  27          HD12      LEU  27  20.770  -1.931   3.541
  228   3HD1  LEU  27          HD13      LEU  27  19.996  -0.437   3.012
  229   1HD2  LEU  27          HD21      LEU  27  18.697  -0.337   5.173
  230   2HD2  LEU  27          HD22      LEU  27  19.534  -1.804   5.679
  231   3HD2  LEU  27          HD23      LEU  27  17.772  -1.744   5.694
  232    H    MET  28           HN       MET  28  18.102  -4.434   1.212
  233    HA   MET  28           HA       MET  28  16.068  -5.913   2.808
  234   1HB   MET  28          HB2       MET  28  16.125  -5.596  -0.072
  235   2HB   MET  28          HB1       MET  28  16.342  -7.294   0.350
  236   1HG   MET  28          HG2       MET  28  14.175  -5.612   1.615
  237   2HG   MET  28          HG1       MET  28  13.919  -6.463   0.092
  238   1HE   MET  28          HE1       MET  28  15.478  -9.252   0.363
  239   2HE   MET  28          HE2       MET  28  13.951  -8.733  -0.345
  240   3HE   MET  28          HE3       MET  28  13.976 -10.088   0.781
  241    HA   PRO  29           HA       PRO  29  20.322  -7.660   3.154
  242   1HB   PRO  29          HB2       PRO  29  20.224  -8.048   5.861
  243   2HB   PRO  29          HB1       PRO  29  20.723  -6.518   5.117
  244   1HG   PRO  29          HG2       PRO  29  18.125  -7.268   6.349
  245   2HG   PRO  29          HG1       PRO  29  18.986  -5.722   6.382
  246   1HD   PRO  29          HD2       PRO  29  16.836  -6.250   4.763
  247   2HD   PRO  29          HD1       PRO  29  18.078  -5.029   4.408
  248    H    GLN  30           HN       GLN  30  20.914  -9.819   4.329
  249    HA   GLN  30           HA       GLN  30  18.682 -11.674   4.817
  250   1HB   GLN  30          HB2       GLN  30  19.467 -13.164   2.904
  251   2HB   GLN  30          HB1       GLN  30  18.672 -11.672   2.408
  252   1HG   GLN  30          HG2       GLN  30  20.528 -10.938   1.355
  253   2HG   GLN  30          HG1       GLN  30  21.537 -11.278   2.760
  254   1HE2  GLN  30          HE21      GLN  30  19.740 -13.247   0.300
  255   2HE2  GLN  30          HE22      GLN  30  21.014 -14.338   0.044
  256    H    LEU  31           HN       LEU  31  19.372 -13.338   6.142
  257    HA   LEU  31           HA       LEU  31  22.215 -14.124   6.208
  258   1HB   LEU  31          HB2       LEU  31  22.251 -13.653   8.732
  259   2HB   LEU  31          HB1       LEU  31  22.348 -12.259   7.672
  260    HG   LEU  31           HG       LEU  31  20.779 -12.087   9.697
  261   1HD1  LEU  31          HD11      LEU  31  19.629 -10.470   8.596
  262   2HD1  LEU  31          HD12      LEU  31  19.095 -11.568   7.324
  263   3HD1  LEU  31          HD13      LEU  31  20.718 -10.876   7.270
  264   1HD2  LEU  31          HD21      LEU  31  18.620 -13.101   9.584
  265   2HD2  LEU  31          HD22      LEU  31  19.781 -14.395   9.293
  266   3HD2  LEU  31          HD23      LEU  31  18.898 -13.682   7.944
  Start of MODEL   36
    1   1H    SER   1           HT1      SER   1 -25.358   3.822  -4.085
    2   2H    SER   1           HT2      SER   1 -26.735   4.769  -4.393
    3   3H    SER   1           HT3      SER   1 -25.183   5.430  -4.597
    4    HA   SER   1           HA       SER   1 -26.213   3.142  -6.199
    5   1HB   SER   1          HB2       SER   1 -26.105   6.119  -6.797
    6   2HB   SER   1          HB1       SER   1 -26.642   4.869  -7.916
    7    HG   SER   1           HG       SER   1 -28.447   5.696  -6.922
    8    H    GLY   2           HN       GLY   2 -24.600   2.294  -7.498
    9   1HA   GLY   2          HA2       GLY   2 -22.579   2.251  -8.752
   10   2HA   GLY   2          HA1       GLY   2 -22.232   3.890  -8.200
   11    H    SER   3           HN       SER   3 -20.019   2.829  -7.901
   12    HA   SER   3           HA       SER   3 -19.774   1.937  -5.075
   13   1HB   SER   3          HB2       SER   3 -19.994   0.048  -6.935
   14   2HB   SER   3          HB1       SER   3 -18.294   0.422  -7.203
   15    HG   SER   3           HG       SER   3 -17.812  -0.305  -5.244
   16    H    TRP   4           HN       TRP   4 -18.708   3.987  -4.730
   17    HA   TRP   4           HA       TRP   4 -16.115   4.371  -6.186
   18   1HB   TRP   4          HB2       TRP   4 -18.231   6.052  -5.876
   19   2HB   TRP   4          HB1       TRP   4 -17.260   6.509  -4.476
   20    HD1  TRP   4           HD1      TRP   4 -17.233   6.494  -8.280
   21    HE1  TRP   4           HE1      TRP   4 -15.284   7.959  -9.110
   22    HE3  TRP   4           HE3      TRP   4 -14.880   7.426  -3.846
   23    HZ2  TRP   4           HZ2      TRP   4 -13.023   9.346  -8.036
   24    HZ3  TRP   4           HZ3      TRP   4 -12.832   8.821  -3.777
   25    HH2  TRP   4           HH2      TRP   4 -11.902   9.781  -5.865
   26    H    LEU   5           HN       LEU   5 -17.581   4.151  -2.953
   27    HA   LEU   5           HA       LEU   5 -15.073   4.719  -1.547
   28   1HB   LEU   5          HB2       LEU   5 -17.550   5.100  -0.841
   29   2HB   LEU   5          HB1       LEU   5 -17.536   3.389  -0.416
   30    HG   LEU   5           HG       LEU   5 -15.336   3.995   0.874
   31   1HD1  LEU   5          HD11      LEU   5 -15.385   6.323   1.745
   32   2HD1  LEU   5          HD12      LEU   5 -16.718   6.688   0.648
   33   3HD1  LEU   5          HD13      LEU   5 -15.129   6.278   0.001
   34   1HD2  LEU   5          HD21      LEU   5 -17.285   3.243   2.060
   35   2HD2  LEU   5          HD22      LEU   5 -18.140   4.753   1.739
   36   3HD2  LEU   5          HD23      LEU   5 -16.769   4.734   2.849
   37    H    ARG   6           HN       ARG   6 -16.887   1.825  -2.528
   38    HA   ARG   6           HA       ARG   6 -15.628  -0.180  -0.999
   39   1HB   ARG   6          HB2       ARG   6 -17.498  -0.070  -2.941
   40   2HB   ARG   6          HB1       ARG   6 -16.144  -0.675  -3.896
   41   1HG   ARG   6          HG2       ARG   6 -16.978  -2.685  -3.130
   42   2HG   ARG   6          HG1       ARG   6 -15.879  -2.312  -1.803
   43   1HD   ARG   6          HD2       ARG   6 -18.072  -2.955  -0.889
   44   2HD   ARG   6          HD1       ARG   6 -17.803  -1.226  -0.588
   45    HE   ARG   6           HE       ARG   6 -19.435  -0.710  -2.260
   46   1HH1  ARG   6          HH11      ARG   6 -20.512  -3.406  -1.102
   47   2HH1  ARG   6          HH12      ARG   6 -21.001  -4.186  -2.569
   48   1HH2  ARG   6          HH21      ARG   6 -19.263  -1.979  -4.623
   49   2HH2  ARG   6          HH22      ARG   6 -20.289  -3.376  -4.571
   50    H    ASP   7           HN       ASP   7 -14.601   1.073  -4.208
   51    HA   ASP   7           HA       ASP   7 -12.239  -0.495  -4.483
   52   1HB   ASP   7          HB2       ASP   7 -13.258   0.759  -6.308
   53   2HB   ASP   7          HB1       ASP   7 -12.982   2.281  -5.462
   54    H    ILE   8           HN       ILE   8 -12.729   2.715  -2.969
   55    HA   ILE   8           HA       ILE   8 -10.015   3.342  -2.391
   56    HB   ILE   8           HB       ILE   8 -12.627   3.940  -0.958
   57   1HG1  ILE   8          HG12      ILE   8 -10.896   5.701  -2.722
   58   2HG1  ILE   8          HG11      ILE   8 -12.270   4.775  -3.326
   59   1HG2  ILE   8          HG21      ILE   8  -9.812   4.894  -0.443
   60   2HG2  ILE   8          HG22      ILE   8 -11.020   4.345   0.718
   61   3HG2  ILE   8          HG23      ILE   8 -11.194   5.919  -0.057
   62   1HD1  ILE   8          HD11      ILE   8 -13.692   6.368  -2.621
   63   2HD1  ILE   8          HD12      ILE   8 -12.314   7.336  -2.095
   64   3HD1  ILE   8          HD13      ILE   8 -13.082   6.214  -0.972
   65    H    TRP   9           HN       TRP   9 -12.411   1.494  -0.467
   66    HA   TRP   9           HA       TRP   9 -10.796   0.995   1.828
   67   1HB   TRP   9          HB2       TRP   9 -13.273   0.586   1.486
   68   2HB   TRP   9          HB1       TRP   9 -12.845  -0.840   0.539
   69    HD1  TRP   9           HD1      TRP   9 -13.203  -2.892   1.989
   70    HE1  TRP   9           HE1      TRP   9 -12.643  -3.563   4.414
   71    HE3  TRP   9           HE3      TRP   9 -11.238   1.505   3.692
   72    HZ2  TRP   9           HZ2      TRP   9 -11.512  -2.390   6.766
   73    HZ3  TRP   9           HZ3      TRP   9 -10.428   1.700   6.024
   74    HH2  TRP   9           HH2      TRP   9 -10.563  -0.240   7.563
   75    H    ASP  10           HN       ASP  10 -11.121  -0.811  -1.235
   76    HA   ASP  10           HA       ASP  10  -9.307  -2.951  -0.524
   77   1HB   ASP  10          HB2       ASP  10 -11.119  -2.477  -2.488
   78   2HB   ASP  10          HB1       ASP  10  -9.636  -2.082  -3.357
   79    H    TRP  11           HN       TRP  11  -8.927   0.097  -2.360
   80    HA   TRP  11           HA       TRP  11  -6.198  -0.145  -3.097
   81   1HB   TRP  11          HB2       TRP  11  -7.712   1.576  -3.945
   82   2HB   TRP  11          HB1       TRP  11  -7.900   2.254  -2.329
   83    HD1  TRP  11           HD1      TRP  11  -5.328   1.890  -5.145
   84    HE1  TRP  11           HE1      TRP  11  -3.486   3.661  -4.810
   85    HE3  TRP  11           HE3      TRP  11  -6.731   3.778  -0.613
   86    HZ2  TRP  11           HZ2      TRP  11  -2.712   5.624  -2.878
   87    HZ3  TRP  11           HZ3      TRP  11  -5.425   5.596   0.451
   88    HH2  TRP  11           HH2      TRP  11  -3.419   6.520  -0.675
   89    H    ILE  12           HN       ILE  12  -7.650   1.115  -0.075
   90    HA   ILE  12           HA       ILE  12  -5.262   2.016   1.197
   91    HB   ILE  12           HB       ILE  12  -7.903   0.880   2.164
   92   1HG1  ILE  12          HG12      ILE  12  -6.823   3.685   2.470
   93   2HG1  ILE  12          HG11      ILE  12  -7.628   3.173   0.988
   94   1HG2  ILE  12          HG21      ILE  12  -7.105   2.070   4.377
   95   2HG2  ILE  12          HG22      ILE  12  -5.493   1.746   3.739
   96   3HG2  ILE  12          HG23      ILE  12  -6.604   0.412   4.047
   97   1HD1  ILE  12          HD11      ILE  12  -9.521   2.337   2.550
   98   2HD1  ILE  12          HD12      ILE  12  -9.382   4.074   2.284
   99   3HD1  ILE  12          HD13      ILE  12  -8.766   3.359   3.773
  100    H    CYS  13           HN       CYS  13  -6.725  -1.219   0.968
  101    HA   CYS  13           HA       CYS  13  -4.892  -2.537   2.787
  102   1HB   CYS  13          HB2       CYS  13  -7.223  -3.240   1.962
  103   2HB   CYS  13          HB1       CYS  13  -6.427  -3.751   0.474
  104    HG   CYS  13           HG       CYS  13  -6.570  -5.483   2.800
  105    H    GLU  14           HN       GLU  14  -4.945  -2.007  -0.747
  106    HA   GLU  14           HA       GLU  14  -2.693  -3.675  -1.387
  107   1HB   GLU  14          HB2       GLU  14  -4.374  -1.572  -2.621
  108   2HB   GLU  14          HB1       GLU  14  -2.766  -1.743  -3.315
  109   1HG   GLU  14          HG2       GLU  14  -4.312  -4.244  -2.801
  110   2HG   GLU  14          HG1       GLU  14  -4.820  -3.237  -4.156
  111    H    VAL  15           HN       VAL  15  -2.985  -0.218  -0.607
  112    HA   VAL  15           HA       VAL  15  -0.201   0.450  -0.993
  113    HB   VAL  15           HB       VAL  15  -2.405   1.688   0.699
  114   1HG1  VAL  15          HG11      VAL  15  -0.841   3.770   0.127
  115   2HG1  VAL  15          HG12      VAL  15   0.402   2.520   0.077
  116   3HG1  VAL  15          HG13      VAL  15  -0.541   2.768   1.547
  117   1HG2  VAL  15          HG21      VAL  15  -1.793   1.640  -2.166
  118   2HG2  VAL  15          HG22      VAL  15  -1.902   3.281  -1.527
  119   3HG2  VAL  15          HG23      VAL  15  -3.260   2.172  -1.343
  120    H    LEU  16           HN       LEU  16  -2.082  -0.659   1.829
  121    HA   LEU  16           HA       LEU  16  -0.142  -0.285   3.871
  122   1HB   LEU  16          HB2       LEU  16  -2.602  -0.992   3.998
  123   2HB   LEU  16          HB1       LEU  16  -2.056  -2.622   3.605
  124    HG   LEU  16           HG       LEU  16  -0.370  -2.230   5.588
  125   1HD1  LEU  16          HD11      LEU  16  -1.227  -0.753   7.320
  126   2HD1  LEU  16          HD12      LEU  16  -2.637  -0.357   6.335
  127   3HD1  LEU  16          HD13      LEU  16  -1.031   0.176   5.834
  128   1HD2  LEU  16          HD21      LEU  16  -3.340  -2.739   5.942
  129   2HD2  LEU  16          HD22      LEU  16  -2.126  -3.083   7.173
  130   3HD2  LEU  16          HD23      LEU  16  -2.092  -3.947   5.637
  131    H    SER  17           HN       SER  17  -0.664  -3.091   1.698
  132    HA   SER  17           HA       SER  17   1.605  -4.593   2.756
  133   1HB   SER  17          HB2       SER  17  -0.622  -5.236   1.401
  134   2HB   SER  17          HB1       SER  17   0.466  -5.056   0.027
  135    HG   SER  17           HG       SER  17   1.207  -6.946   0.545
  136    H    ASP  18           HN       ASP  18   1.025  -2.421   0.007
  137    HA   ASP  18           HA       ASP  18   3.506  -2.829  -1.376
  138   1HB   ASP  18          HB2       ASP  18   1.655  -1.754  -2.460
  139   2HB   ASP  18          HB1       ASP  18   1.510  -0.558  -1.173
  140    H    PHE  19           HN       PHE  19   2.576  -0.628   1.274
  141    HA   PHE  19           HA       PHE  19   4.712   1.146   1.404
  142   1HB   PHE  19          HB2       PHE  19   2.663   0.128   3.085
  143   2HB   PHE  19          HB1       PHE  19   4.149   0.081   4.026
  144    HD1  PHE  19           HD1      PHE  19   2.210   2.335   1.745
  145    HD2  PHE  19           HD2      PHE  19   4.933   2.037   5.056
  146    HE1  PHE  19           HE1      PHE  19   2.079   4.789   2.075
  147    HE2  PHE  19           HE2      PHE  19   4.801   4.492   5.384
  148    HZ   PHE  19           HZ       PHE  19   3.374   5.867   3.893
  149    H    LYS  20           HN       LYS  20   4.702  -2.233   2.574
  150    HA   LYS  20           HA       LYS  20   7.359  -2.191   3.695
  151   1HB   LYS  20          HB2       LYS  20   5.439  -3.826   4.085
  152   2HB   LYS  20          HB1       LYS  20   5.853  -4.549   2.531
  153   1HG   LYS  20          HG2       LYS  20   7.976  -5.254   3.289
  154   2HG   LYS  20          HG1       LYS  20   7.944  -4.156   4.669
  155   1HD   LYS  20          HD2       LYS  20   5.657  -5.789   4.940
  156   2HD   LYS  20          HD1       LYS  20   6.972  -6.876   4.494
  157   1HE   LYS  20          HE2       LYS  20   7.278  -4.799   6.684
  158   2HE   LYS  20          HE1       LYS  20   6.715  -6.451   7.005
  159   1HZ   LYS  20          HZ1       LYS  20   9.094  -6.407   7.201
  160   2HZ   LYS  20          HZ2       LYS  20   9.261  -5.664   5.683
  161   3HZ   LYS  20          HZ3       LYS  20   8.697  -7.264   5.792
  162    H    THR  21           HN       THR  21   6.122  -3.306   0.505
  163    HA   THR  21           HA       THR  21   8.780  -3.980  -0.492
  164    HB   THR  21           HB       THR  21   7.419  -4.073  -2.685
  165    HG1  THR  21           HG1      THR  21   5.710  -2.811  -2.350
  166   1HG2  THR  21          HG21      THR  21   6.681  -5.642  -0.212
  167   2HG2  THR  21          HG22      THR  21   7.791  -6.106  -1.502
  168   3HG2  THR  21          HG23      THR  21   6.055  -6.048  -1.809
  169    H    TRP  22           HN       TRP  22   6.653  -1.149  -0.699
  170    HA   TRP  22           HA       TRP  22   7.935   0.329  -2.751
  171   1HB   TRP  22          HB2       TRP  22   5.804   0.716  -1.247
  172   2HB   TRP  22          HB1       TRP  22   6.923   1.589  -0.208
  173    HD1  TRP  22           HD1      TRP  22   5.490   1.643  -3.767
  174    HE1  TRP  22           HE1      TRP  22   5.778   4.019  -4.726
  175    HE3  TRP  22           HE3      TRP  22   8.233   3.776  -0.025
  176    HZ2  TRP  22           HZ2      TRP  22   7.010   6.499  -4.000
  177    HZ3  TRP  22           HZ3      TRP  22   8.948   6.143  -0.183
  178    HH2  TRP  22           HH2      TRP  22   8.340   7.506  -2.164
  179    H    LEU  23           HN       LEU  23   8.560   0.367   0.771
  180    HA   LEU  23           HA       LEU  23  10.814   2.149   0.686
  181   1HB   LEU  23          HB2       LEU  23   9.483   0.288   2.571
  182   2HB   LEU  23          HB1       LEU  23  11.187   0.588   2.911
  183    HG   LEU  23           HG       LEU  23  10.549   3.104   2.543
  184   1HD1  LEU  23          HD11      LEU  23   8.271   3.677   2.980
  185   2HD1  LEU  23          HD12      LEU  23   7.866   2.021   3.429
  186   3HD1  LEU  23          HD13      LEU  23   8.217   2.418   1.747
  187   1HD2  LEU  23          HD21      LEU  23  10.101   3.324   4.917
  188   2HD2  LEU  23          HD22      LEU  23  11.238   1.994   4.699
  189   3HD2  LEU  23          HD23      LEU  23   9.535   1.656   5.009
  190    H    LYS  24           HN       LYS  24  10.578  -1.423   0.568
  191    HA   LYS  24           HA       LYS  24  13.405  -1.965   0.607
  192   1HB   LYS  24          HB2       LYS  24  10.910  -3.383  -0.331
  193   2HB   LYS  24          HB1       LYS  24  12.496  -4.113  -0.579
  194   1HG   LYS  24          HG2       LYS  24  12.938  -4.214   1.752
  195   2HG   LYS  24          HG1       LYS  24  11.623  -3.102   2.130
  196   1HD   LYS  24          HD2       LYS  24  10.652  -5.151   2.668
  197   2HD   LYS  24          HD1       LYS  24  10.122  -4.945   0.998
  198   1HE   LYS  24          HE2       LYS  24  12.690  -6.176   0.888
  199   2HE   LYS  24          HE1       LYS  24  11.736  -7.061   2.094
  200   1HZ   LYS  24          HZ1       LYS  24  11.277  -7.889  -0.134
  201   2HZ   LYS  24          HZ2       LYS  24  10.828  -6.332  -0.645
  202   3HZ   LYS  24          HZ3       LYS  24   9.896  -7.151   0.517
  203    H    ALA  25           HN       ALA  25  11.096  -1.364  -2.043
  204    HA   ALA  25           HA       ALA  25  13.019  -1.812  -4.181
  205   1HB   ALA  25          HB1       ALA  25  10.277  -0.572  -3.908
  206   2HB   ALA  25          HB2       ALA  25  10.713  -2.101  -4.671
  207   3HB   ALA  25          HB3       ALA  25  11.128  -0.575  -5.453
  208    H    LYS  26           HN       LYS  26  12.004   0.985  -2.263
  209    HA   LYS  26           HA       LYS  26  13.147   3.023  -3.965
  210   1HB   LYS  26          HB2       LYS  26  11.391   3.377  -2.248
  211   2HB   LYS  26          HB1       LYS  26  12.557   2.974  -0.986
  212   1HG   LYS  26          HG2       LYS  26  13.653   4.978  -1.166
  213   2HG   LYS  26          HG1       LYS  26  13.387   5.084  -2.906
  214   1HD   LYS  26          HD2       LYS  26  10.879   5.222  -1.424
  215   2HD   LYS  26          HD1       LYS  26  11.996   6.498  -0.938
  216   1HE   LYS  26          HE2       LYS  26  11.574   5.927  -3.870
  217   2HE   LYS  26          HE1       LYS  26  10.423   6.945  -2.985
  218   1HZ   LYS  26          HZ1       LYS  26  12.241   8.315  -2.215
  219   2HZ   LYS  26          HZ2       LYS  26  12.271   8.247  -3.912
  220   3HZ   LYS  26          HZ3       LYS  26  13.374   7.327  -3.003
  221    H    LEU  27           HN       LEU  27  14.376   1.274  -1.083
  222    HA   LEU  27           HA       LEU  27  17.144   2.059  -1.895
  223   1HB   LEU  27          HB2       LEU  27  15.701   3.288   0.117
  224   2HB   LEU  27          HB1       LEU  27  16.628   2.077   1.000
  225    HG   LEU  27           HG       LEU  27  18.025   3.736  -1.071
  226   1HD1  LEU  27          HD11      LEU  27  16.872   5.433   0.207
  227   2HD1  LEU  27          HD12      LEU  27  18.545   5.391   0.764
  228   3HD1  LEU  27          HD13      LEU  27  17.275   4.634   1.726
  229   1HD2  LEU  27          HD21      LEU  27  19.857   3.470   0.686
  230   2HD2  LEU  27          HD22      LEU  27  19.315   1.974  -0.073
  231   3HD2  LEU  27          HD23      LEU  27  18.756   2.393   1.545
  232    H    MET  28           HN       MET  28  18.575   0.377  -1.679
  233    HA   MET  28           HA       MET  28  18.328  -1.730   0.291
  234   1HB   MET  28          HB2       MET  28  16.474  -2.400  -1.111
  235   2HB   MET  28          HB1       MET  28  17.453  -2.262  -2.565
  236   1HG   MET  28          HG2       MET  28  18.883  -3.999  -0.870
  237   2HG   MET  28          HG1       MET  28  17.197  -4.501  -0.744
  238   1HE   MET  28          HE1       MET  28  20.386  -4.993  -2.630
  239   2HE   MET  28          HE2       MET  28  19.716  -6.379  -3.488
  240   3HE   MET  28          HE3       MET  28  19.469  -6.225  -1.750
  241    HA   PRO  29           HA       PRO  29  21.952  -2.858  -2.637
  242   1HB   PRO  29          HB2       PRO  29  22.310  -1.409  -4.931
  243   2HB   PRO  29          HB1       PRO  29  21.327  -2.882  -4.856
  244   1HG   PRO  29          HG2       PRO  29  20.470  -0.032  -4.834
  245   2HG   PRO  29          HG1       PRO  29  19.738  -1.422  -5.650
  246   1HD   PRO  29          HD2       PRO  29  18.767  -0.376  -3.342
  247   2HD   PRO  29          HD1       PRO  29  18.601  -2.089  -3.781
  248    H    GLN  30           HN       GLN  30  24.053  -1.564  -3.511
  249    HA   GLN  30           HA       GLN  30  24.735   0.370  -1.447
  250   1HB   GLN  30          HB2       GLN  30  26.013  -1.055  -3.722
  251   2HB   GLN  30          HB1       GLN  30  26.773   0.464  -3.248
  252   1HG   GLN  30          HG2       GLN  30  27.279  -0.303  -1.099
  253   2HG   GLN  30          HG1       GLN  30  26.021  -1.538  -1.136
  254   1HE2  GLN  30          HE21      GLN  30  29.168  -0.705  -2.687
  255   2HE2  GLN  30          HE22      GLN  30  29.618  -2.316  -2.974
  256    H    LEU  31           HN       LEU  31  23.733   0.598  -4.833
  257    HA   LEU  31           HA       LEU  31  24.050   3.580  -4.696
  258   1HB   LEU  31          HB2       LEU  31  24.158   1.554  -6.942
  259   2HB   LEU  31          HB1       LEU  31  24.007   3.284  -7.252
  260    HG   LEU  31           HG       LEU  31  26.071   3.119  -5.382
  261   1HD1  LEU  31          HD11      LEU  31  26.498   1.009  -7.516
  262   2HD1  LEU  31          HD12      LEU  31  26.078   0.638  -5.844
  263   3HD1  LEU  31          HD13      LEU  31  27.602   1.445  -6.212
  264   1HD2  LEU  31          HD21      LEU  31  27.467   3.851  -7.244
  265   2HD2  LEU  31          HD22      LEU  31  25.875   4.592  -7.399
  266   3HD2  LEU  31          HD23      LEU  31  26.307   3.212  -8.407
  Start of MODEL   37
    1   1H    SER   1           HT1      SER   1 -26.456   9.379   2.584
    2   2H    SER   1           HT2      SER   1 -25.898   9.973   1.092
    3   3H    SER   1           HT3      SER   1 -24.792   9.414   2.255
    4    HA   SER   1           HA       SER   1 -25.684   7.153   2.034
    5   1HB   SER   1          HB2       SER   1 -27.301   6.906   0.059
    6   2HB   SER   1          HB1       SER   1 -27.948   7.711   1.486
    7    HG   SER   1           HG       SER   1 -28.180   8.698  -0.759
    8    H    GLY   2           HN       GLY   2 -24.909   5.730   0.242
    9   1HA   GLY   2          HA2       GLY   2 -23.562   5.228  -1.635
   10   2HA   GLY   2          HA1       GLY   2 -23.590   6.939  -2.066
   11    H    SER   3           HN       SER   3 -22.194   4.742   0.394
   12    HA   SER   3           HA       SER   3 -20.052   6.629   1.050
   13   1HB   SER   3          HB2       SER   3 -19.280   4.589   2.387
   14   2HB   SER   3          HB1       SER   3 -20.889   5.187   2.772
   15    HG   SER   3           HG       SER   3 -21.129   3.028   2.488
   16    H    TRP   4           HN       TRP   4 -18.414   6.946  -0.415
   17    HA   TRP   4           HA       TRP   4 -17.681   4.898  -2.385
   18   1HB   TRP   4          HB2       TRP   4 -17.593   7.655  -2.200
   19   2HB   TRP   4          HB1       TRP   4 -15.898   7.208  -2.004
   20    HD1  TRP   4           HD1      TRP   4 -18.772   7.082  -4.496
   21    HE1  TRP   4           HE1      TRP   4 -17.843   6.447  -6.815
   22    HE3  TRP   4           HE3      TRP   4 -13.959   5.938  -3.239
   23    HZ2  TRP   4           HZ2      TRP   4 -15.383   5.572  -7.983
   24    HZ3  TRP   4           HZ3      TRP   4 -12.345   5.207  -4.970
   25    HH2  TRP   4           HH2      TRP   4 -13.050   5.023  -7.339
   26    H    LEU   5           HN       LEU   5 -16.931   5.174   0.862
   27    HA   LEU   5           HA       LEU   5 -14.087   4.761   0.915
   28   1HB   LEU   5          HB2       LEU   5 -15.444   5.471   2.841
   29   2HB   LEU   5          HB1       LEU   5 -16.310   3.935   2.815
   30    HG   LEU   5           HG       LEU   5 -14.226   2.726   3.301
   31   1HD1  LEU   5          HD11      LEU   5 -12.511   3.991   2.293
   32   2HD1  LEU   5          HD12      LEU   5 -12.244   4.250   4.016
   33   3HD1  LEU   5          HD13      LEU   5 -13.045   5.491   3.051
   34   1HD2  LEU   5          HD21      LEU   5 -15.556   3.519   5.203
   35   2HD2  LEU   5          HD22      LEU   5 -14.728   5.075   5.156
   36   3HD2  LEU   5          HD23      LEU   5 -13.839   3.617   5.593
   37    H    ARG   6           HN       ARG   6 -16.768   2.617   0.177
   38    HA   ARG   6           HA       ARG   6 -15.622   0.085   0.798
   39   1HB   ARG   6          HB2       ARG   6 -17.887   1.175  -0.522
   40   2HB   ARG   6          HB1       ARG   6 -17.147   0.048  -1.659
   41   1HG   ARG   6          HG2       ARG   6 -18.148  -1.615  -0.512
   42   2HG   ARG   6          HG1       ARG   6 -17.031  -1.271   0.809
   43   1HD   ARG   6          HD2       ARG   6 -18.971  -0.900   1.989
   44   2HD   ARG   6          HD1       ARG   6 -18.905   0.690   1.204
   45    HE   ARG   6           HE       ARG   6 -20.122  -1.065  -0.646
   46   1HH1  ARG   6          HH21      ARG   6 -21.331   1.483   0.536
   47   2HH1  ARG   6          HH22      ARG   6 -22.767   0.856   1.276
   48   1HH2  ARG   6          HH11      ARG   6 -21.694  -2.450   1.172
   49   2HH2  ARG   6          HH12      ARG   6 -22.971  -1.379   1.640
   50    H    ASP   7           HN       ASP   7 -15.348   2.090  -2.155
   51    HA   ASP   7           HA       ASP   7 -13.574   0.170  -3.491
   52   1HB   ASP   7          HB2       ASP   7 -15.263   1.756  -4.557
   53   2HB   ASP   7          HB1       ASP   7 -14.149   3.069  -4.172
   54    H    ILE   8           HN       ILE   8 -13.210   2.995  -1.423
   55    HA   ILE   8           HA       ILE   8 -10.407   3.489  -2.116
   56    HB   ILE   8           HB       ILE   8 -12.284   4.413   0.082
   57   1HG1  ILE   8          HG12      ILE   8 -11.076   6.045  -2.152
   58   2HG1  ILE   8          HG11      ILE   8 -12.543   5.100  -2.410
   59   1HG2  ILE   8          HG21      ILE   8  -9.382   5.047  -0.435
   60   2HG2  ILE   8          HG22      ILE   8 -10.175   4.678   1.096
   61   3HG2  ILE   8          HG23      ILE   8 -10.441   6.239   0.319
   62   1HD1  ILE   8          HD11      ILE   8 -12.906   6.479   0.037
   63   2HD1  ILE   8          HD12      ILE   8 -13.734   6.773  -1.491
   64   3HD1  ILE   8          HD13      ILE   8 -12.256   7.653  -1.106
   65    H    TRP   9           HN       TRP   9 -12.133   1.922   0.607
   66    HA   TRP   9           HA       TRP   9  -9.936   1.380   2.298
   67   1HB   TRP   9          HB2       TRP   9 -12.538   1.010   2.480
   68   2HB   TRP   9          HB1       TRP   9 -12.157  -0.604   1.879
   69    HD1  TRP   9           HD1      TRP   9 -12.031  -2.195   3.852
   70    HE1  TRP   9           HE1      TRP   9 -10.996  -2.136   6.211
   71    HE3  TRP   9           HE3      TRP   9 -10.272   2.601   3.929
   72    HZ2  TRP   9           HZ2      TRP   9  -9.609  -0.301   7.909
   73    HZ3  TRP   9           HZ3      TRP   9  -9.100   3.476   5.928
   74    HH2  TRP   9           HH2      TRP   9  -8.767   2.033   7.917
   75    H    ASP  10           HN       ASP  10 -11.298  -0.783  -0.242
   76    HA   ASP  10           HA       ASP  10  -9.365  -2.868   0.026
   77   1HB   ASP  10          HB2       ASP  10 -11.638  -2.425  -1.415
   78   2HB   ASP  10          HB1       ASP  10 -10.421  -2.251  -2.680
   79    H    TRP  11           HN       TRP  11  -9.366   0.062  -2.022
   80    HA   TRP  11           HA       TRP  11  -6.979  -0.454  -3.498
   81   1HB   TRP  11          HB2       TRP  11  -8.644   1.314  -3.983
   82   2HB   TRP  11          HB1       TRP  11  -8.201   2.145  -2.493
   83    HD1  TRP  11           HD1      TRP  11  -6.966   1.432  -6.020
   84    HE1  TRP  11           HE1      TRP  11  -4.957   2.965  -6.530
   85    HE3  TRP  11           HE3      TRP  11  -6.199   3.451  -1.392
   86    HZ2  TRP  11           HZ2      TRP  11  -3.249   4.803  -5.155
   87    HZ3  TRP  11           HZ3      TRP  11  -4.376   5.087  -1.021
   88    HH2  TRP  11           HH2      TRP  11  -2.902   5.766  -2.894
   89    H    ILE  12           HN       ILE  12  -7.465   1.154  -0.336
   90    HA   ILE  12           HA       ILE  12  -4.741   1.899   0.139
   91    HB   ILE  12           HB       ILE  12  -7.065   1.171   1.957
   92   1HG1  ILE  12          HG12      ILE  12  -5.925   3.919   1.485
   93   2HG1  ILE  12          HG11      ILE  12  -7.050   3.221   0.320
   94   1HG2  ILE  12          HG21      ILE  12  -5.180   0.921   3.367
   95   2HG2  ILE  12          HG22      ILE  12  -5.690   2.588   3.634
   96   3HG2  ILE  12          HG23      ILE  12  -4.314   2.244   2.587
   97   1HD1  ILE  12          HD11      ILE  12  -7.615   3.435   3.290
   98   2HD1  ILE  12          HD12      ILE  12  -8.744   2.945   2.027
   99   3HD1  ILE  12          HD13      ILE  12  -8.167   4.609   2.096
  100    H    CYS  13           HN       CYS  13  -6.534  -1.116   0.764
  101    HA   CYS  13           HA       CYS  13  -4.464  -2.472   2.242
  102   1HB   CYS  13          HB2       CYS  13  -6.972  -2.984   1.998
  103   2HB   CYS  13          HB1       CYS  13  -6.563  -3.711   0.443
  104    HG   CYS  13           HG       CYS  13  -4.980  -5.391   1.757
  105    H    GLU  14           HN       GLU  14  -5.261  -2.289  -1.238
  106    HA   GLU  14           HA       GLU  14  -3.349  -4.230  -2.148
  107   1HB   GLU  14          HB2       GLU  14  -5.212  -2.259  -3.189
  108   2HB   GLU  14          HB1       GLU  14  -3.721  -2.261  -4.128
  109   1HG   GLU  14          HG2       GLU  14  -4.833  -3.962  -5.218
  110   2HG   GLU  14          HG1       GLU  14  -4.054  -4.908  -3.949
  111    H    VAL  15           HN       VAL  15  -3.161  -0.721  -1.652
  112    HA   VAL  15           HA       VAL  15  -0.477  -0.385  -2.684
  113    HB   VAL  15           HB       VAL  15  -2.177   1.222  -0.740
  114   1HG1  VAL  15          HG11      VAL  15  -0.077   2.142  -0.378
  115   2HG1  VAL  15          HG12      VAL  15  -0.594   3.081  -1.778
  116   3HG1  VAL  15          HG13      VAL  15   0.504   1.717  -1.988
  117   1HG2  VAL  15          HG21      VAL  15  -3.225   2.094  -2.555
  118   2HG2  VAL  15          HG22      VAL  15  -2.579   0.710  -3.436
  119   3HG2  VAL  15          HG23      VAL  15  -1.715   2.247  -3.454
  120    H    LEU  16           HN       LEU  16  -1.823  -1.184   0.496
  121    HA   LEU  16           HA       LEU  16   0.431  -0.762   2.162
  122   1HB   LEU  16          HB2       LEU  16  -2.000  -1.422   2.691
  123   2HB   LEU  16          HB1       LEU  16  -1.509  -3.082   2.349
  124    HG   LEU  16           HG       LEU  16   0.369  -1.732   4.135
  125   1HD1  LEU  16          HD11      LEU  16  -1.261  -1.872   6.100
  126   2HD1  LEU  16          HD12      LEU  16  -2.553  -1.926   4.901
  127   3HD1  LEU  16          HD13      LEU  16  -1.500  -0.514   4.999
  128   1HD2  LEU  16          HD21      LEU  16   0.098  -4.217   3.630
  129   2HD2  LEU  16          HD22      LEU  16  -1.372  -4.168   4.605
  130   3HD2  LEU  16          HD23      LEU  16   0.188  -3.801   5.342
  131    H    SER  17           HN       SER  17  -0.405  -3.565   0.105
  132    HA   SER  17           HA       SER  17   1.694  -5.323   0.946
  133   1HB   SER  17          HB2       SER  17  -0.368  -5.791  -0.485
  134   2HB   SER  17          HB1       SER  17   0.498  -5.054  -1.830
  135    HG   SER  17           HG       SER  17   1.054  -7.420  -0.402
  136    H    ASP  18           HN       ASP  18   1.563  -2.886  -1.673
  137    HA   ASP  18           HA       ASP  18   4.298  -3.335  -2.555
  138   1HB   ASP  18          HB2       ASP  18   2.730  -2.405  -4.104
  139   2HB   ASP  18          HB1       ASP  18   2.197  -1.185  -2.948
  140    H    PHE  19           HN       PHE  19   2.712  -0.848  -0.513
  141    HA   PHE  19           HA       PHE  19   4.840   0.863   0.049
  142   1HB   PHE  19          HB2       PHE  19   2.290   0.220   1.082
  143   2HB   PHE  19          HB1       PHE  19   3.383   0.197   2.461
  144    HD1  PHE  19           HD1      PHE  19   3.571   2.218   3.596
  145    HD2  PHE  19           HD2      PHE  19   2.959   2.259  -0.657
  146    HE1  PHE  19           HE1      PHE  19   3.607   4.698   3.613
  147    HE2  PHE  19           HE2      PHE  19   2.997   4.739  -0.638
  148    HZ   PHE  19           HZ       PHE  19   3.321   5.958   1.497
  149    H    LYS  20           HN       LYS  20   4.234  -2.352   1.461
  150    HA   LYS  20           HA       LYS  20   6.230  -2.318   3.498
  151   1HB   LYS  20          HB2       LYS  20   4.314  -3.987   2.900
  152   2HB   LYS  20          HB1       LYS  20   5.510  -4.740   1.845
  153   1HG   LYS  20          HG2       LYS  20   6.444  -5.781   3.604
  154   2HG   LYS  20          HG1       LYS  20   6.733  -4.229   4.391
  155   1HD   LYS  20          HD2       LYS  20   3.923  -4.953   4.535
  156   2HD   LYS  20          HD1       LYS  20   4.935  -6.223   5.221
  157   1HE   LYS  20          HE2       LYS  20   4.654  -4.817   7.077
  158   2HE   LYS  20          HE1       LYS  20   6.157  -4.170   6.393
  159   1HZ   LYS  20          HZ1       LYS  20   4.430  -2.447   6.805
  160   2HZ   LYS  20          HZ2       LYS  20   3.443  -3.207   5.651
  161   3HZ   LYS  20          HZ3       LYS  20   4.930  -2.531   5.187
  162    H    THR  21           HN       THR  21   6.453  -3.408   0.072
  163    HA   THR  21           HA       THR  21   9.369  -3.818   0.364
  164    HB   THR  21           HB       THR  21   7.785  -5.311  -0.943
  165    HG1  THR  21           HG1      THR  21   9.525  -5.828  -1.959
  166   1HG2  THR  21          HG21      THR  21   7.240  -4.529  -3.265
  167   2HG2  THR  21          HG22      THR  21   7.772  -2.915  -2.798
  168   3HG2  THR  21          HG23      THR  21   6.379  -3.649  -2.004
  169    H    TRP  22           HN       TRP  22   7.134  -1.454  -1.020
  170    HA   TRP  22           HA       TRP  22   8.928   0.050  -2.655
  171   1HB   TRP  22          HB2       TRP  22   6.349   0.154  -2.265
  172   2HB   TRP  22          HB1       TRP  22   6.743   1.222  -0.922
  173    HD1  TRP  22           HD1      TRP  22   6.442   1.128  -4.658
  174    HE1  TRP  22           HE1      TRP  22   6.987   3.454  -5.631
  175    HE3  TRP  22           HE3      TRP  22   8.327   3.407  -0.495
  176    HZ2  TRP  22           HZ2      TRP  22   8.080   5.950  -4.757
  177    HZ3  TRP  22           HZ3      TRP  22   9.112   5.756  -0.593
  178    HH2  TRP  22           HH2      TRP  22   8.990   7.029  -2.717
  179    H    LEU  23           HN       LEU  23   7.990   0.486   0.761
  180    HA   LEU  23           HA       LEU  23   9.826   2.627   1.340
  181   1HB   LEU  23          HB2       LEU  23   8.126   0.665   2.831
  182   2HB   LEU  23          HB1       LEU  23   9.369   1.519   3.744
  183    HG   LEU  23           HG       LEU  23   7.449   2.989   1.933
  184   1HD1  LEU  23          HD11      LEU  23   6.100   3.459   3.959
  185   2HD1  LEU  23          HD12      LEU  23   7.116   2.352   4.883
  186   3HD1  LEU  23          HD13      LEU  23   6.107   1.738   3.572
  187   1HD2  LEU  23          HD21      LEU  23   8.090   4.895   3.306
  188   2HD2  LEU  23          HD22      LEU  23   9.556   4.099   2.733
  189   3HD2  LEU  23          HD23      LEU  23   9.008   3.852   4.391
  190    H    LYS  24           HN       LYS  24  10.062  -0.927   1.663
  191    HA   LYS  24           HA       LYS  24  12.584  -1.035   3.014
  192   1HB   LYS  24          HB2       LYS  24  10.807  -2.847   2.540
  193   2HB   LYS  24          HB1       LYS  24  11.566  -3.008   0.958
  194   1HG   LYS  24          HG2       LYS  24  12.822  -4.565   2.094
  195   2HG   LYS  24          HG1       LYS  24  13.777  -3.133   2.474
  196   1HD   LYS  24          HD2       LYS  24  11.878  -3.035   4.441
  197   2HD   LYS  24          HD1       LYS  24  12.064  -4.776   4.235
  198   1HE   LYS  24          HE2       LYS  24  14.475  -2.963   4.510
  199   2HE   LYS  24          HE1       LYS  24  13.655  -3.646   5.927
  200   1HZ   LYS  24          HZ1       LYS  24  14.733  -5.180   3.616
  201   2HZ   LYS  24          HZ2       LYS  24  13.860  -5.853   4.909
  202   3HZ   LYS  24          HZ3       LYS  24  15.382  -5.149   5.183
  203    H    ALA  25           HN       ALA  25  11.781  -1.060  -0.476
  204    HA   ALA  25           HA       ALA  25  14.510  -1.269  -1.407
  205   1HB   ALA  25          HB1       ALA  25  12.350  -1.779  -2.643
  206   2HB   ALA  25          HB2       ALA  25  13.497  -0.798  -3.555
  207   3HB   ALA  25          HB3       ALA  25  12.103  -0.038  -2.786
  208    H    LYS  26           HN       LYS  26  12.348   1.478  -0.713
  209    HA   LYS  26           HA       LYS  26  14.403   3.438  -1.554
  210   1HB   LYS  26          HB2       LYS  26  11.514   3.367  -0.852
  211   2HB   LYS  26          HB1       LYS  26  12.357   4.867  -0.473
  212   1HG   LYS  26          HG2       LYS  26  11.909   5.387  -2.645
  213   2HG   LYS  26          HG1       LYS  26  13.314   4.376  -2.980
  214   1HD   LYS  26          HD2       LYS  26  11.917   2.450  -3.399
  215   2HD   LYS  26          HD1       LYS  26  10.481   3.308  -2.838
  216   1HE   LYS  26          HE2       LYS  26  10.562   4.831  -4.724
  217   2HE   LYS  26          HE1       LYS  26  12.133   4.184  -5.235
  218   1HZ   LYS  26          HZ1       LYS  26  11.053   1.969  -5.393
  219   2HZ   LYS  26          HZ2       LYS  26  10.435   3.098  -6.503
  220   3HZ   LYS  26          HZ3       LYS  26   9.553   2.708  -5.105
  221    H    LEU  27           HN       LEU  27  15.047   1.692   0.737
  222    HA   LEU  27           HA       LEU  27  15.148   3.730   2.940
  223   1HB   LEU  27          HB2       LEU  27  13.994   1.204   2.891
  224   2HB   LEU  27          HB1       LEU  27  15.558   0.906   3.646
  225    HG   LEU  27           HG       LEU  27  14.301   3.337   4.667
  226   1HD1  LEU  27          HD11      LEU  27  12.181   2.339   4.399
  227   2HD1  LEU  27          HD12      LEU  27  12.633   1.904   6.046
  228   3HD1  LEU  27          HD13      LEU  27  12.797   0.723   4.747
  229   1HD2  LEU  27          HD21      LEU  27  14.876   2.289   6.807
  230   2HD2  LEU  27          HD22      LEU  27  16.224   2.117   5.682
  231   3HD2  LEU  27          HD23      LEU  27  15.159   0.747   5.999
  232    H    MET  28           HN       MET  28  17.090   3.238   0.659
  233    HA   MET  28           HA       MET  28  19.490   2.518   2.315
  234   1HB   MET  28          HB2       MET  28  18.666   0.925   0.460
  235   2HB   MET  28          HB1       MET  28  19.195   2.166  -0.677
  236   1HG   MET  28          HG2       MET  28  21.015   0.595  -0.403
  237   2HG   MET  28          HG1       MET  28  21.467   2.090   0.415
  238   1HE   MET  28          HE1       MET  28  19.681  -1.415   1.002
  239   2HE   MET  28          HE2       MET  28  20.926  -2.055   2.072
  240   3HE   MET  28          HE3       MET  28  21.366  -1.480   0.467
  241    HA   PRO  29           HA       PRO  29  19.853   6.849   0.650
  242   1HB   PRO  29          HB2       PRO  29  20.461   8.043   3.035
  243   2HB   PRO  29          HB1       PRO  29  18.800   7.811   2.464
  244   1HG   PRO  29          HG2       PRO  29  20.338   6.272   4.482
  245   2HG   PRO  29          HG1       PRO  29  18.616   6.679   4.443
  246   1HD   PRO  29          HD2       PRO  29  19.647   4.221   3.773
  247   2HD   PRO  29          HD1       PRO  29  18.085   4.847   3.206
  248    H    GLN  30           HN       GLN  30  21.855   8.396   1.235
  249    HA   GLN  30           HA       GLN  30  24.292   6.645   1.381
  250   1HB   GLN  30          HB2       GLN  30  23.725   9.267  -0.045
  251   2HB   GLN  30          HB1       GLN  30  25.297   8.469  -0.030
  252   1HG   GLN  30          HG2       GLN  30  23.642   6.412  -0.792
  253   2HG   GLN  30          HG1       GLN  30  22.865   7.798  -1.558
  254   1HE2  GLN  30          HE21      GLN  30  25.931   5.976  -1.396
  255   2HE2  GLN  30          HE22      GLN  30  26.563   6.593  -2.844
  256    H    LEU  31           HN       LEU  31  26.141   7.532   2.526
  257    HA   LEU  31           HA       LEU  31  25.641   9.929   4.233
  258   1HB   LEU  31          HB2       LEU  31  25.039   7.538   5.208
  259   2HB   LEU  31          HB1       LEU  31  26.783   7.427   5.442
  260    HG   LEU  31           HG       LEU  31  25.470   9.953   6.320
  261   1HD1  LEU  31          HD11      LEU  31  23.893   8.239   7.126
  262   2HD1  LEU  31          HD12      LEU  31  24.799   8.934   8.470
  263   3HD1  LEU  31          HD13      LEU  31  25.231   7.342   7.846
  264   1HD2  LEU  31          HD21      LEU  31  27.893   9.597   6.560
  265   2HD2  LEU  31          HD22      LEU  31  27.597   8.128   7.488
  266   3HD2  LEU  31          HD23      LEU  31  27.131   9.696   8.148
  Start of MODEL   38
    1   1H    SER   1           HT1      SER   1 -19.612   3.220  -8.493
    2   2H    SER   1           HT2      SER   1 -20.361   4.421  -9.433
    3   3H    SER   1           HT3      SER   1 -19.627   3.085 -10.184
    4    HA   SER   1           HA       SER   1 -22.024   2.800 -10.193
    5   1HB   SER   1          HB2       SER   1 -20.379   1.057  -8.334
    6   2HB   SER   1          HB1       SER   1 -21.952   0.585  -8.972
    7    HG   SER   1           HG       SER   1 -20.267  -0.190 -10.287
    8    H    GLY   2           HN       GLY   2 -20.852   2.572  -6.787
    9   1HA   GLY   2          HA2       GLY   2 -22.703   4.444  -5.716
   10   2HA   GLY   2          HA1       GLY   2 -23.441   2.846  -5.616
   11    H    SER   3           HN       SER   3 -21.514   1.157  -4.884
   12    HA   SER   3           HA       SER   3 -20.862   1.992  -2.144
   13   1HB   SER   3          HB2       SER   3 -19.958  -0.422  -2.153
   14   2HB   SER   3          HB1       SER   3 -21.680  -0.223  -2.463
   15    HG   SER   3           HG       SER   3 -19.932  -1.429  -3.981
   16    H    TRP   4           HN       TRP   4 -19.372   3.768  -3.248
   17    HA   TRP   4           HA       TRP   4 -16.802   2.878  -4.303
   18   1HB   TRP   4          HB2       TRP   4 -18.286   5.170  -4.361
   19   2HB   TRP   4          HB1       TRP   4 -17.082   5.591  -3.143
   20    HD1  TRP   4           HD1      TRP   4 -16.854   3.647  -6.494
   21    HE1  TRP   4           HE1      TRP   4 -14.876   4.609  -7.840
   22    HE3  TRP   4           HE3      TRP   4 -15.314   7.319  -3.296
   23    HZ2  TRP   4           HZ2      TRP   4 -12.904   6.664  -7.592
   24    HZ3  TRP   4           HZ3      TRP   4 -13.386   8.764  -3.875
   25    HH2  TRP   4           HH2      TRP   4 -12.179   8.441  -6.019
   26    H    LEU   5           HN       LEU   5 -18.077   3.343  -1.084
   27    HA   LEU   5           HA       LEU   5 -15.743   4.024   0.384
   28   1HB   LEU   5          HB2       LEU   5 -18.265   3.666   1.038
   29   2HB   LEU   5          HB1       LEU   5 -17.763   2.005   1.351
   30    HG   LEU   5           HG       LEU   5 -16.072   4.194   2.481
   31   1HD1  LEU   5          HD11      LEU   5 -17.541   4.369   4.457
   32   2HD1  LEU   5          HD12      LEU   5 -18.731   3.337   3.665
   33   3HD1  LEU   5          HD13      LEU   5 -18.367   4.930   3.004
   34   1HD2  LEU   5          HD21      LEU   5 -15.231   2.105   3.050
   35   2HD2  LEU   5          HD22      LEU   5 -16.827   1.359   3.098
   36   3HD2  LEU   5          HD23      LEU   5 -16.296   2.394   4.424
   37    H    ARG   6           HN       ARG   6 -16.942   0.810  -0.646
   38    HA   ARG   6           HA       ARG   6 -14.809  -0.721   0.552
   39   1HB   ARG   6          HB2       ARG   6 -17.120  -1.449  -0.340
   40   2HB   ARG   6          HB1       ARG   6 -16.382  -1.420  -1.941
   41   1HG   ARG   6          HG2       ARG   6 -15.488  -3.451  -1.577
   42   2HG   ARG   6          HG1       ARG   6 -14.609  -2.818  -0.185
   43   1HD   ARG   6          HD2       ARG   6 -17.508  -3.728  -0.064
   44   2HD   ARG   6          HD1       ARG   6 -16.129  -4.744   0.400
   45    HE   ARG   6           HE       ARG   6 -16.918  -2.206   1.767
   46   1HH1  ARG   6          HH21      ARG   6 -16.996  -4.926   3.104
   47   2HH1  ARG   6          HH22      ARG   6 -15.530  -4.903   4.024
   48   1HH2  ARG   6          HH11      ARG   6 -14.165  -2.228   2.270
   49   2HH2  ARG   6          HH12      ARG   6 -13.919  -3.367   3.550
   50    H    ASP   7           HN       ASP   7 -15.256   0.769  -2.658
   51    HA   ASP   7           HA       ASP   7 -12.988  -0.290  -4.000
   52   1HB   ASP   7          HB2       ASP   7 -14.672   0.955  -5.180
   53   2HB   ASP   7          HB1       ASP   7 -14.470   2.352  -4.127
   54    H    ILE   8           HN       ILE   8 -13.285   2.600  -1.911
   55    HA   ILE   8           HA       ILE   8 -10.543   3.462  -2.151
   56    HB   ILE   8           HB       ILE   8 -12.664   3.856  -0.006
   57   1HG1  ILE   8          HG12      ILE   8 -11.834   5.911  -2.034
   58   2HG1  ILE   8          HG11      ILE   8 -12.937   4.626  -2.527
   59   1HG2  ILE   8          HG21      ILE   8 -10.853   4.652   1.150
   60   2HG2  ILE   8          HG22      ILE   8 -11.109   6.070   0.134
   61   3HG2  ILE   8          HG23      ILE   8  -9.888   4.877  -0.309
   62   1HD1  ILE   8          HD11      ILE   8 -13.439   6.228  -0.021
   63   2HD1  ILE   8          HD12      ILE   8 -14.584   5.277  -0.967
   64   3HD1  ILE   8          HD13      ILE   8 -13.976   6.808  -1.596
   65    H    TRP   9           HN       TRP   9 -12.249   1.443   0.262
   66    HA   TRP   9           HA       TRP   9 -10.021   0.983   2.009
   67   1HB   TRP   9          HB2       TRP   9 -12.739   0.002   1.532
   68   2HB   TRP   9          HB1       TRP   9 -11.665  -1.279   2.091
   69    HD1  TRP   9           HD1      TRP   9 -12.321  -1.483   4.566
   70    HE1  TRP   9           HE1      TRP   9 -12.316   0.124   6.582
   71    HE3  TRP   9           HE3      TRP   9 -11.338   2.928   2.183
   72    HZ2  TRP   9           HZ2      TRP   9 -11.947   2.908   7.114
   73    HZ3  TRP   9           HZ3      TRP   9 -11.166   5.040   3.469
   74    HH2  TRP   9           HH2      TRP   9 -11.469   5.034   5.929
   75    H    ASP  10           HN       ASP  10 -11.184  -0.750  -0.881
   76    HA   ASP  10           HA       ASP  10  -9.381  -2.979  -0.745
   77   1HB   ASP  10          HB2       ASP  10 -11.518  -2.256  -2.244
   78   2HB   ASP  10          HB1       ASP  10 -10.226  -1.865  -3.380
   79    H    TRP  11           HN       TRP  11  -9.148   0.162  -2.459
   80    HA   TRP  11           HA       TRP  11  -6.528  -0.314  -3.579
   81   1HB   TRP  11          HB2       TRP  11  -8.179   1.352  -4.394
   82   2HB   TRP  11          HB1       TRP  11  -7.998   2.257  -2.892
   83    HD1  TRP  11           HD1      TRP  11  -6.066   1.279  -6.053
   84    HE1  TRP  11           HE1      TRP  11  -4.085   2.905  -6.341
   85    HE3  TRP  11           HE3      TRP  11  -6.421   3.886  -1.678
   86    HZ2  TRP  11           HZ2      TRP  11  -2.820   5.032  -4.905
   87    HZ3  TRP  11           HZ3      TRP  11  -4.818   5.705  -1.163
   88    HH2  TRP  11           HH2      TRP  11  -3.020   6.280  -2.769
   89    H    ILE  12           HN       ILE  12  -7.662   1.288  -0.587
   90    HA   ILE  12           HA       ILE  12  -5.163   2.269   0.363
   91    HB   ILE  12           HB       ILE  12  -7.783   1.387   1.563
   92   1HG1  ILE  12          HG12      ILE  12  -6.321   4.034   1.737
   93   2HG1  ILE  12          HG11      ILE  12  -7.366   3.615   0.380
   94   1HG2  ILE  12          HG21      ILE  12  -5.249   2.043   3.063
   95   2HG2  ILE  12          HG22      ILE  12  -6.394   0.734   3.355
   96   3HG2  ILE  12          HG23      ILE  12  -6.831   2.395   3.757
   97   1HD1  ILE  12          HD11      ILE  12  -8.634   4.887   2.049
   98   2HD1  ILE  12          HD12      ILE  12  -8.192   3.722   3.297
   99   3HD1  ILE  12          HD13      ILE  12  -9.238   3.233   1.965
  100    H    CYS  13           HN       CYS  13  -6.650  -0.957   0.575
  101    HA   CYS  13           HA       CYS  13  -4.650  -2.122   2.327
  102   1HB   CYS  13          HB2       CYS  13  -7.028  -2.904   1.849
  103   2HB   CYS  13          HB1       CYS  13  -6.446  -3.474   0.286
  104    HG   CYS  13           HG       CYS  13  -6.269  -5.437   2.057
  105    H    GLU  14           HN       GLU  14  -5.085  -1.928  -1.213
  106    HA   GLU  14           HA       GLU  14  -2.938  -3.632  -2.006
  107   1HB   GLU  14          HB2       GLU  14  -4.624  -1.457  -3.126
  108   2HB   GLU  14          HB1       GLU  14  -3.109  -1.758  -3.971
  109   1HG   GLU  14          HG2       GLU  14  -3.780  -3.806  -4.727
  110   2HG   GLU  14          HG1       GLU  14  -4.649  -4.180  -3.239
  111    H    VAL  15           HN       VAL  15  -3.046  -0.137  -1.354
  112    HA   VAL  15           HA       VAL  15  -0.276   0.409  -1.954
  113    HB   VAL  15           HB       VAL  15  -2.334   1.791  -0.193
  114   1HG1  VAL  15          HG11      VAL  15  -0.729   3.795  -0.896
  115   2HG1  VAL  15          HG12      VAL  15   0.468   2.502  -0.979
  116   3HG1  VAL  15          HG13      VAL  15  -0.386   2.817   0.531
  117   1HG2  VAL  15          HG21      VAL  15  -1.845   3.274  -2.514
  118   2HG2  VAL  15          HG22      VAL  15  -3.265   2.278  -2.195
  119   3HG2  VAL  15          HG23      VAL  15  -1.892   1.602  -3.071
  120    H    LEU  16           HN       LEU  16  -1.992  -0.584   1.003
  121    HA   LEU  16           HA       LEU  16   0.086  -0.180   2.911
  122   1HB   LEU  16          HB2       LEU  16  -2.350  -0.788   3.274
  123   2HB   LEU  16          HB1       LEU  16  -1.943  -2.437   2.800
  124    HG   LEU  16           HG       LEU  16  -0.142  -2.351   4.628
  125   1HD1  LEU  16          HD11      LEU  16  -1.788   0.095   5.336
  126   2HD1  LEU  16          HD12      LEU  16  -0.055   0.034   5.009
  127   3HD1  LEU  16          HD13      LEU  16  -0.703  -0.715   6.468
  128   1HD2  LEU  16          HD21      LEU  16  -3.111  -2.275   5.210
  129   2HD2  LEU  16          HD22      LEU  16  -1.923  -2.674   6.449
  130   3HD2  LEU  16          HD23      LEU  16  -2.078  -3.691   5.018
  131    H    SER  17           HN       SER  17  -0.652  -3.008   0.842
  132    HA   SER  17           HA       SER  17   1.525  -4.660   1.775
  133   1HB   SER  17          HB2       SER  17  -0.585  -5.316   0.494
  134   2HB   SER  17          HB1       SER  17   0.180  -4.649  -0.947
  135    HG   SER  17           HG       SER  17   1.867  -6.135  -0.664
  136    H    ASP  18           HN       ASP  18   1.178  -2.261  -0.823
  137    HA   ASP  18           HA       ASP  18   3.771  -2.724  -2.033
  138   1HB   ASP  18          HB2       ASP  18   1.837  -1.674  -3.167
  139   2HB   ASP  18          HB1       ASP  18   1.903  -0.326  -2.033
  140    H    PHE  19           HN       PHE  19   2.538  -0.413   0.404
  141    HA   PHE  19           HA       PHE  19   4.729   1.297   0.727
  142   1HB   PHE  19          HB2       PHE  19   2.357   0.667   2.051
  143   2HB   PHE  19          HB1       PHE  19   3.598   0.356   3.262
  144    HD1  PHE  19           HD1      PHE  19   5.529   2.211   3.345
  145    HD2  PHE  19           HD2      PHE  19   1.547   2.847   1.863
  146    HE1  PHE  19           HE1      PHE  19   5.779   4.648   3.721
  147    HE2  PHE  19           HE2      PHE  19   1.797   5.285   2.242
  148    HZ   PHE  19           HZ       PHE  19   3.913   6.186   3.171
  149    H    LYS  20           HN       LYS  20   4.257  -1.912   2.245
  150    HA   LYS  20           HA       LYS  20   6.686  -1.997   3.747
  151   1HB   LYS  20          HB2       LYS  20   4.737  -3.527   3.970
  152   2HB   LYS  20          HB1       LYS  20   5.114  -4.222   2.393
  153   1HG   LYS  20          HG2       LYS  20   7.494  -4.248   4.002
  154   2HG   LYS  20          HG1       LYS  20   6.177  -4.970   4.928
  155   1HD   LYS  20          HD2       LYS  20   6.455  -5.766   2.060
  156   2HD   LYS  20          HD1       LYS  20   7.628  -6.414   3.207
  157   1HE   LYS  20          HE2       LYS  20   6.011  -7.611   4.394
  158   2HE   LYS  20          HE1       LYS  20   4.698  -6.526   3.898
  159   1HZ   LYS  20          HZ1       LYS  20   4.772  -7.352   1.699
  160   2HZ   LYS  20          HZ2       LYS  20   4.780  -8.724   2.702
  161   3HZ   LYS  20          HZ3       LYS  20   6.220  -8.196   1.971
  162    H    THR  21           HN       THR  21   5.955  -3.154   0.428
  163    HA   THR  21           HA       THR  21   8.665  -4.044  -0.122
  164    HB   THR  21           HB       THR  21   6.521  -3.231  -2.107
  165    HG1  THR  21           HG1      THR  21   5.340  -4.782  -1.365
  166   1HG2  THR  21          HG21      THR  21   8.870  -3.958  -2.828
  167   2HG2  THR  21          HG22      THR  21   7.523  -4.850  -3.532
  168   3HG2  THR  21          HG23      THR  21   8.449  -5.555  -2.207
  169    H    TRP  22           HN       TRP  22   6.864  -1.029  -0.681
  170    HA   TRP  22           HA       TRP  22   8.675   0.329  -2.401
  171   1HB   TRP  22          HB2       TRP  22   6.319   0.932  -1.521
  172   2HB   TRP  22          HB1       TRP  22   7.143   1.573  -0.105
  173    HD1  TRP  22           HD1      TRP  22   6.914   2.089  -3.906
  174    HE1  TRP  22           HE1      TRP  22   7.678   4.492  -4.446
  175    HE3  TRP  22           HE3      TRP  22   8.465   3.584   0.724
  176    HZ2  TRP  22           HZ2      TRP  22   8.797   6.751  -3.092
  177    HZ3  TRP  22           HZ3      TRP  22   9.372   5.865   1.071
  178    HH2  TRP  22           HH2      TRP  22   9.540   7.448  -0.830
  179    H    LEU  23           HN       LEU  23   8.511   0.253   1.162
  180    HA   LEU  23           HA       LEU  23  10.774   1.910   1.704
  181   1HB   LEU  23          HB2       LEU  23   8.982   0.048   3.083
  182   2HB   LEU  23          HB1       LEU  23  10.612   0.019   3.754
  183    HG   LEU  23           HG       LEU  23  10.404   2.642   3.623
  184   1HD1  LEU  23          HD11      LEU  23   7.495   1.841   3.903
  185   2HD1  LEU  23          HD12      LEU  23   8.189   2.466   2.406
  186   3HD1  LEU  23          HD13      LEU  23   8.154   3.475   3.851
  187   1HD2  LEU  23          HD21      LEU  23   8.927   0.959   5.676
  188   2HD2  LEU  23          HD22      LEU  23   9.436   2.631   5.913
  189   3HD2  LEU  23          HD23      LEU  23  10.644   1.363   5.708
  190    H    LYS  24           HN       LYS  24  10.539  -1.635   1.206
  191    HA   LYS  24           HA       LYS  24  13.370  -2.118   1.710
  192   1HB   LYS  24          HB2       LYS  24  11.258  -3.673   1.809
  193   2HB   LYS  24          HB1       LYS  24  11.546  -3.880   0.082
  194   1HG   LYS  24          HG2       LYS  24  12.935  -5.554   0.767
  195   2HG   LYS  24          HG1       LYS  24  14.068  -4.234   1.051
  196   1HD   LYS  24          HD2       LYS  24  14.040  -4.616   3.269
  197   2HD   LYS  24          HD1       LYS  24  12.282  -4.489   3.307
  198   1HE   LYS  24          HE2       LYS  24  13.587  -7.008   2.274
  199   2HE   LYS  24          HE1       LYS  24  13.358  -6.761   4.016
  200   1HZ   LYS  24          HZ1       LYS  24  11.210  -6.445   1.982
  201   2HZ   LYS  24          HZ2       LYS  24  11.032  -6.354   3.670
  202   3HZ   LYS  24          HZ3       LYS  24  11.424  -7.833   2.932
  203    H    ALA  25           HN       ALA  25  11.362  -1.704  -1.212
  204    HA   ALA  25           HA       ALA  25  13.406  -2.240  -3.158
  205   1HB   ALA  25          HB1       ALA  25  11.808  -0.969  -4.635
  206   2HB   ALA  25          HB2       ALA  25  10.896  -0.530  -3.191
  207   3HB   ALA  25          HB3       ALA  25  11.023  -2.221  -3.672
  208    H    LYS  26           HN       LYS  26  12.370   0.763  -1.523
  209    HA   LYS  26           HA       LYS  26  14.447   2.336  -2.947
  210   1HB   LYS  26          HB2       LYS  26  11.953   2.938  -2.289
  211   2HB   LYS  26          HB1       LYS  26  12.681   3.349  -0.736
  212   1HG   LYS  26          HG2       LYS  26  14.226   4.898  -1.833
  213   2HG   LYS  26          HG1       LYS  26  13.589   4.446  -3.415
  214   1HD   LYS  26          HD2       LYS  26  11.742   5.747  -3.179
  215   2HD   LYS  26          HD1       LYS  26  11.525   5.294  -1.489
  216   1HE   LYS  26          HE2       LYS  26  13.893   7.005  -2.073
  217   2HE   LYS  26          HE1       LYS  26  12.303   7.781  -2.229
  218   1HZ   LYS  26          HZ1       LYS  26  11.704   7.068  -0.052
  219   2HZ   LYS  26          HZ2       LYS  26  13.230   7.805   0.075
  220   3HZ   LYS  26          HZ3       LYS  26  13.097   6.113   0.099
  221    H    LEU  27           HN       LEU  27  15.239   0.189  -1.025
  222    HA   LEU  27           HA       LEU  27  16.483   1.822   1.156
  223   1HB   LEU  27          HB2       LEU  27  14.959  -0.516   1.171
  224   2HB   LEU  27          HB1       LEU  27  16.612  -1.099   1.361
  225    HG   LEU  27           HG       LEU  27  15.513   1.179   3.017
  226   1HD1  LEU  27          HD11      LEU  27  15.446  -1.802   3.558
  227   2HD1  LEU  27          HD12      LEU  27  14.072  -0.698   3.489
  228   3HD1  LEU  27          HD13      LEU  27  15.232  -0.579   4.811
  229   1HD2  LEU  27          HD21      LEU  27  17.405   0.769   4.407
  230   2HD2  LEU  27          HD22      LEU  27  18.028   0.694   2.760
  231   3HD2  LEU  27          HD23      LEU  27  17.717  -0.794   3.653
  232    H    MET  28           HN       MET  28  17.181  -1.008  -0.942
  233    HA   MET  28           HA       MET  28  20.003  -1.055  -0.523
  234   1HB   MET  28          HB2       MET  28  17.980  -2.277  -2.231
  235   2HB   MET  28          HB1       MET  28  19.491  -2.025  -3.105
  236   1HG   MET  28          HG2       MET  28  20.725  -3.356  -1.611
  237   2HG   MET  28          HG1       MET  28  19.507  -3.225  -0.342
  238   1HE   MET  28          HE1       MET  28  17.550  -4.204  -0.111
  239   2HE   MET  28          HE2       MET  28  18.404  -5.716   0.187
  240   3HE   MET  28          HE3       MET  28  16.972  -5.709  -0.840
  241    HA   PRO  29           HA       PRO  29  20.510   1.540  -4.501
  242   1HB   PRO  29          HB2       PRO  29  18.287   2.645  -5.664
  243   2HB   PRO  29          HB1       PRO  29  18.914   1.044  -6.085
  244   1HG   PRO  29          HG2       PRO  29  16.609   1.774  -4.369
  245   2HG   PRO  29          HG1       PRO  29  16.813   0.401  -5.464
  246   1HD   PRO  29          HD2       PRO  29  17.057   0.258  -2.731
  247   2HD   PRO  29          HD1       PRO  29  17.806  -0.882  -3.871
  248    H    GLN  30           HN       GLN  30  17.499   3.268  -3.712
  249    HA   GLN  30           HA       GLN  30  17.118   5.340  -2.659
  250   1HB   GLN  30          HB2       GLN  30  18.794   3.796  -1.060
  251   2HB   GLN  30          HB1       GLN  30  19.637   5.341  -1.155
  252   1HG   GLN  30          HG2       GLN  30  17.536   6.499  -0.493
  253   2HG   GLN  30          HG1       GLN  30  16.751   4.928  -0.322
  254   1HE2  GLN  30          HE21      GLN  30  17.680   3.435   1.371
  255   2HE2  GLN  30          HE22      GLN  30  18.493   4.103   2.702
  256    H    LEU  31           HN       LEU  31  18.052   5.717  -5.161
  257    HA   LEU  31           HA       LEU  31  20.129   7.869  -4.873
  258   1HB   LEU  31          HB2       LEU  31  19.858   5.530  -6.699
  259   2HB   LEU  31          HB1       LEU  31  20.449   7.026  -7.422
  260    HG   LEU  31           HG       LEU  31  21.623   6.014  -4.838
  261   1HD1  LEU  31          HD11      LEU  31  23.272   4.743  -6.053
  262   2HD1  LEU  31          HD12      LEU  31  22.636   5.296  -7.602
  263   3HD1  LEU  31          HD13      LEU  31  21.687   4.196  -6.602
  264   1HD2  LEU  31          HD21      LEU  31  23.577   7.287  -5.661
  265   2HD2  LEU  31          HD22      LEU  31  22.142   8.310  -5.599
  266   3HD2  LEU  31          HD23      LEU  31  22.704   7.671  -7.143
  Start of MODEL   39
    1   1H    SER   1           HT1      SER   1 -21.543  -2.794 -10.015
    2   2H    SER   1           HT2      SER   1 -21.556  -2.600  -8.328
    3   3H    SER   1           HT3      SER   1 -20.304  -1.923  -9.254
    4    HA   SER   1           HA       SER   1 -21.893  -0.424 -10.338
    5   1HB   SER   1          HB2       SER   1 -23.725  -2.164  -9.995
    6   2HB   SER   1          HB1       SER   1 -23.839  -1.601  -8.330
    7    HG   SER   1           HG       SER   1 -25.316  -0.510  -9.672
    8    H    GLY   2           HN       GLY   2 -22.473  -1.179  -6.862
    9   1HA   GLY   2          HA2       GLY   2 -21.781   1.627  -6.194
   10   2HA   GLY   2          HA1       GLY   2 -22.544   0.468  -5.104
   11    H    SER   3           HN       SER   3 -21.244  -0.837  -3.822
   12    HA   SER   3           HA       SER   3 -19.299  -1.414  -2.614
   13   1HB   SER   3          HB2       SER   3 -19.125  -2.762  -4.660
   14   2HB   SER   3          HB1       SER   3 -18.344  -1.425  -5.494
   15    HG   SER   3           HG       SER   3 -16.583  -1.641  -4.161
   16    H    TRP   4           HN       TRP   4 -19.734   1.459  -2.808
   17    HA   TRP   4           HA       TRP   4 -17.364   2.880  -3.611
   18   1HB   TRP   4          HB2       TRP   4 -19.749   3.716  -3.130
   19   2HB   TRP   4          HB1       TRP   4 -19.306   3.663  -1.423
   20    HD1  TRP   4           HD1      TRP   4 -18.875   5.689  -4.551
   21    HE1  TRP   4           HE1      TRP   4 -17.445   7.774  -4.049
   22    HE3  TRP   4           HE3      TRP   4 -17.236   4.530   0.146
   23    HZ2  TRP   4           HZ2      TRP   4 -15.822   8.812  -1.938
   24    HZ3  TRP   4           HZ3      TRP   4 -15.752   6.084   1.379
   25    HH2  TRP   4           HH2      TRP   4 -15.042   8.222   0.343
   26    H    LEU   5           HN       LEU   5 -18.489   1.983  -0.310
   27    HA   LEU   5           HA       LEU   5 -16.126   2.778   1.073
   28   1HB   LEU   5          HB2       LEU   5 -18.620   1.719   1.663
   29   2HB   LEU   5          HB1       LEU   5 -17.532   0.414   2.130
   30    HG   LEU   5           HG       LEU   5 -17.904   1.918   4.031
   31   1HD1  LEU   5          HD11      LEU   5 -15.631   0.865   3.591
   32   2HD1  LEU   5          HD12      LEU   5 -15.613   2.291   4.628
   33   3HD1  LEU   5          HD13      LEU   5 -15.126   2.424   2.938
   34   1HD2  LEU   5          HD21      LEU   5 -17.364   4.253   3.957
   35   2HD2  LEU   5          HD22      LEU   5 -18.363   3.934   2.539
   36   3HD2  LEU   5          HD23      LEU   5 -16.615   4.097   2.368
   37    H    ARG   6           HN       ARG   6 -17.042  -0.396  -0.301
   38    HA   ARG   6           HA       ARG   6 -14.719  -1.852   0.537
   39   1HB   ARG   6          HB2       ARG   6 -16.893  -2.767  -0.305
   40   2HB   ARG   6          HB1       ARG   6 -16.476  -2.190  -1.918
   41   1HG   ARG   6          HG2       ARG   6 -14.296  -3.573  -1.615
   42   2HG   ARG   6          HG1       ARG   6 -15.170  -4.379  -0.310
   43   1HD   ARG   6          HD2       ARG   6 -17.053  -4.795  -1.988
   44   2HD   ARG   6          HD1       ARG   6 -15.917  -4.273  -3.248
   45    HE   ARG   6           HE       ARG   6 -14.628  -6.196  -1.551
   46   1HH1  ARG   6          HH21      ARG   6 -17.321  -7.489  -2.020
   47   2HH1  ARG   6          HH22      ARG   6 -17.032  -8.387  -3.472
   48   1HH2  ARG   6          HH11      ARG   6 -14.123  -6.662  -4.271
   49   2HH2  ARG   6          HH12      ARG   6 -15.212  -7.920  -4.750
   50    H    ASP   7           HN       ASP   7 -15.389   0.118  -2.353
   51    HA   ASP   7           HA       ASP   7 -13.031  -0.542  -3.848
   52   1HB   ASP   7          HB2       ASP   7 -15.073   0.560  -4.725
   53   2HB   ASP   7          HB1       ASP   7 -14.714   1.988  -3.754
   54    H    ILE   8           HN       ILE   8 -13.721   2.165  -1.597
   55    HA   ILE   8           HA       ILE   8 -11.163   3.439  -1.786
   56    HB   ILE   8           HB       ILE   8 -13.540   3.424   0.015
   57   1HG1  ILE   8          HG12      ILE   8 -13.189   5.926  -0.330
   58   2HG1  ILE   8          HG11      ILE   8 -11.850   5.506  -1.399
   59   1HG2  ILE   8          HG21      ILE   8 -12.377   4.972   1.623
   60   2HG2  ILE   8          HG22      ILE   8 -10.844   4.519   0.878
   61   3HG2  ILE   8          HG23      ILE   8 -11.810   3.305   1.717
   62   1HD1  ILE   8          HD11      ILE   8 -13.360   4.226  -2.838
   63   2HD1  ILE   8          HD12      ILE   8 -13.973   5.869  -2.647
   64   3HD1  ILE   8          HD13      ILE   8 -14.706   4.545  -1.743
   65    H    TRP   9           HN       TRP   9 -12.379   0.944   0.488
   66    HA   TRP   9           HA       TRP   9  -9.974   0.751   2.059
   67   1HB   TRP   9          HB2       TRP   9 -12.515  -0.695   1.655
   68   2HB   TRP   9          HB1       TRP   9 -11.185  -1.727   2.178
   69    HD1  TRP   9           HD1      TRP   9 -13.817   0.222   3.624
   70    HE1  TRP   9           HE1      TRP   9 -13.264   0.986   6.024
   71    HE3  TRP   9           HE3      TRP   9  -8.787  -0.655   3.692
   72    HZ2  TRP   9           HZ2      TRP   9 -10.989   1.196   7.746
   73    HZ3  TRP   9           HZ3      TRP   9  -7.452  -0.163   5.721
   74    HH2  TRP   9           HH2      TRP   9  -8.546   0.760   7.746
   75    H    ASP  10           HN       ASP  10 -11.043  -0.851  -0.928
   76    HA   ASP  10           HA       ASP  10  -8.999  -2.844  -1.116
   77   1HB   ASP  10          HB2       ASP  10 -11.073  -2.724  -2.472
   78   2HB   ASP  10          HB1       ASP  10 -10.471  -1.266  -3.259
   79    H    TRP  11           HN       TRP  11  -9.130   0.535  -2.265
   80    HA   TRP  11           HA       TRP  11  -6.554   0.586  -3.549
   81   1HB   TRP  11          HB2       TRP  11  -8.390   2.209  -3.910
   82   2HB   TRP  11          HB1       TRP  11  -8.237   2.758  -2.242
   83    HD1  TRP  11           HD1      TRP  11  -6.521   2.931  -5.636
   84    HE1  TRP  11           HE1      TRP  11  -4.714   4.767  -5.564
   85    HE3  TRP  11           HE3      TRP  11  -6.597   4.050  -0.654
   86    HZ2  TRP  11           HZ2      TRP  11  -3.463   6.485  -3.646
   87    HZ3  TRP  11           HZ3      TRP  11  -5.089   5.786   0.267
   88    HH2  TRP  11           HH2      TRP  11  -3.524   7.004  -1.221
   89    H    ILE  12           HN       ILE  12  -7.621   1.347  -0.227
   90    HA   ILE  12           HA       ILE  12  -5.126   2.346   0.771
   91    HB   ILE  12           HB       ILE  12  -7.521   0.952   2.009
   92   1HG1  ILE  12          HG12      ILE  12  -6.639   3.819   2.345
   93   2HG1  ILE  12          HG11      ILE  12  -7.588   3.322   0.945
   94   1HG2  ILE  12          HG21      ILE  12  -5.895   0.504   3.637
   95   2HG2  ILE  12          HG22      ILE  12  -6.519   2.068   4.162
   96   3HG2  ILE  12          HG23      ILE  12  -4.992   1.976   3.283
   97   1HD1  ILE  12          HD11      ILE  12  -9.051   2.161   2.890
   98   2HD1  ILE  12          HD12      ILE  12  -9.336   3.814   2.348
   99   3HD1  ILE  12          HD13      ILE  12  -8.387   3.516   3.805
  100    H    CYS  13           HN       CYS  13  -6.452  -0.951   0.508
  101    HA   CYS  13           HA       CYS  13  -4.323  -2.293   1.930
  102   1HB   CYS  13          HB2       CYS  13  -6.694  -3.079   1.316
  103   2HB   CYS  13          HB1       CYS  13  -6.055  -3.401  -0.295
  104    HG   CYS  13           HG       CYS  13  -5.008  -4.836   2.284
  105    H    GLU  14           HN       GLU  14  -4.823  -1.372  -1.471
  106    HA   GLU  14           HA       GLU  14  -2.604  -2.828  -2.591
  107   1HB   GLU  14          HB2       GLU  14  -4.725  -1.261  -3.455
  108   2HB   GLU  14          HB1       GLU  14  -3.323  -0.265  -3.839
  109   1HG   GLU  14          HG2       GLU  14  -3.368  -3.191  -4.560
  110   2HG   GLU  14          HG1       GLU  14  -4.123  -1.993  -5.609
  111    H    VAL  15           HN       VAL  15  -2.968   0.486  -1.390
  112    HA   VAL  15           HA       VAL  15  -0.263   1.346  -1.950
  113    HB   VAL  15           HB       VAL  15  -2.383   2.315   0.005
  114   1HG1  VAL  15          HG11      VAL  15  -0.178   3.189   0.615
  115   2HG1  VAL  15          HG12      VAL  15  -1.146   4.474  -0.108
  116   3HG1  VAL  15          HG13      VAL  15   0.112   3.681  -1.055
  117   1HG2  VAL  15          HG21      VAL  15  -3.400   3.288  -1.763
  118   2HG2  VAL  15          HG22      VAL  15  -2.380   2.285  -2.794
  119   3HG2  VAL  15          HG23      VAL  15  -1.872   3.922  -2.376
  120    H    LEU  16           HN       LEU  16  -1.887   0.191   1.033
  121    HA   LEU  16           HA       LEU  16   0.375   0.375   2.774
  122   1HB   LEU  16          HB2       LEU  16  -2.112   0.022   3.283
  123   2HB   LEU  16          HB1       LEU  16  -1.852  -1.677   2.888
  124    HG   LEU  16           HG       LEU  16   0.227  -0.793   4.676
  125   1HD1  LEU  16          HD11      LEU  16  -1.716   0.851   5.226
  126   2HD1  LEU  16          HD12      LEU  16  -0.963  -0.027   6.558
  127   3HD1  LEU  16          HD13      LEU  16  -2.514  -0.564   5.912
  128   1HD2  LEU  16          HD21      LEU  16  -0.424  -3.117   4.417
  129   2HD2  LEU  16          HD22      LEU  16  -2.080  -2.752   4.900
  130   3HD2  LEU  16          HD23      LEU  16  -0.773  -2.634   6.076
  131    H    SER  17           HN       SER  17  -0.828  -2.370   0.792
  132    HA   SER  17           HA       SER  17   1.120  -4.298   1.607
  133   1HB   SER  17          HB2       SER  17  -1.043  -4.552   0.235
  134   2HB   SER  17          HB1       SER  17  -0.095  -4.032  -1.156
  135    HG   SER  17           HG       SER  17   0.161  -6.182  -1.166
  136    H    ASP  18           HN       ASP  18   1.144  -1.947  -1.098
  137    HA   ASP  18           HA       ASP  18   3.749  -2.709  -2.098
  138   1HB   ASP  18          HB2       ASP  18   2.222  -1.551  -3.536
  139   2HB   ASP  18          HB1       ASP  18   1.966  -0.273  -2.349
  140    H    PHE  19           HN       PHE  19   2.626  -0.206   0.195
  141    HA   PHE  19           HA       PHE  19   4.927   1.308   0.621
  142   1HB   PHE  19          HB2       PHE  19   2.476   0.954   1.816
  143   2HB   PHE  19          HB1       PHE  19   3.567   0.388   3.077
  144    HD1  PHE  19           HD1      PHE  19   5.302   1.879   4.014
  145    HD2  PHE  19           HD2      PHE  19   2.443   3.279   1.129
  146    HE1  PHE  19           HE1      PHE  19   5.881   4.222   4.579
  147    HE2  PHE  19           HE2      PHE  19   3.022   5.624   1.696
  148    HZ   PHE  19           HZ       PHE  19   4.741   6.095   3.421
  149    H    LYS  20           HN       LYS  20   4.181  -1.887   2.046
  150    HA   LYS  20           HA       LYS  20   6.519  -2.125   3.682
  151   1HB   LYS  20          HB2       LYS  20   4.386  -3.511   3.677
  152   2HB   LYS  20          HB1       LYS  20   5.013  -4.334   2.248
  153   1HG   LYS  20          HG2       LYS  20   7.170  -4.508   3.900
  154   2HG   LYS  20          HG1       LYS  20   5.860  -4.557   5.078
  155   1HD   LYS  20          HD2       LYS  20   5.404  -6.691   4.533
  156   2HD   LYS  20          HD1       LYS  20   5.166  -6.232   2.847
  157   1HE   LYS  20          HE2       LYS  20   6.967  -7.696   2.619
  158   2HE   LYS  20          HE1       LYS  20   7.847  -6.175   2.867
  159   1HZ   LYS  20          HZ1       LYS  20   7.074  -8.124   4.980
  160   2HZ   LYS  20          HZ2       LYS  20   7.816  -6.621   5.269
  161   3HZ   LYS  20          HZ3       LYS  20   8.646  -7.832   4.415
  162    H    THR  21           HN       THR  21   5.903  -3.157   0.300
  163    HA   THR  21           HA       THR  21   8.615  -4.208  -0.056
  164    HB   THR  21           HB       THR  21   6.741  -3.447  -2.289
  165    HG1  THR  21           HG1      THR  21   5.237  -4.621  -1.449
  166   1HG2  THR  21          HG21      THR  21   7.700  -5.279  -3.395
  167   2HG2  THR  21          HG22      THR  21   8.197  -6.048  -1.888
  168   3HG2  THR  21          HG23      THR  21   9.059  -4.626  -2.478
  169    H    TRP  22           HN       TRP  22   6.872  -1.247  -1.017
  170    HA   TRP  22           HA       TRP  22   8.863  -0.032  -2.638
  171   1HB   TRP  22          HB2       TRP  22   6.363   0.558  -1.851
  172   2HB   TRP  22          HB1       TRP  22   7.235   1.608  -0.739
  173    HD1  TRP  22           HD1      TRP  22   6.359   1.181  -4.393
  174    HE1  TRP  22           HE1      TRP  22   7.172   3.244  -5.708
  175    HE3  TRP  22           HE3      TRP  22   9.128   3.496  -0.779
  176    HZ2  TRP  22           HZ2      TRP  22   8.785   5.571  -5.282
  177    HZ3  TRP  22           HZ3      TRP  22  10.291   5.631  -1.259
  178    HH2  TRP  22           HH2      TRP  22  10.123   6.669  -3.505
  179    H    LEU  23           HN       LEU  23   8.396   0.068   0.894
  180    HA   LEU  23           HA       LEU  23  10.626   1.874   1.387
  181   1HB   LEU  23          HB2       LEU  23   8.634   0.273   2.911
  182   2HB   LEU  23          HB1       LEU  23  10.117   0.678   3.771
  183    HG   LEU  23           HG       LEU  23   8.338   2.391   4.090
  184   1HD1  LEU  23          HD11      LEU  23  10.594   3.521   2.425
  185   2HD1  LEU  23          HD12      LEU  23  10.838   2.908   4.060
  186   3HD1  LEU  23          HD13      LEU  23   9.763   4.278   3.783
  187   1HD2  LEU  23          HD21      LEU  23   7.371   2.077   1.764
  188   2HD2  LEU  23          HD22      LEU  23   8.736   3.007   1.149
  189   3HD2  LEU  23          HD23      LEU  23   7.585   3.756   2.255
  190    H    LYS  24           HN       LYS  24  10.383  -1.592   0.927
  191    HA   LYS  24           HA       LYS  24  13.037  -2.048   2.208
  192   1HB   LYS  24          HB2       LYS  24  10.961  -3.465   2.609
  193   2HB   LYS  24          HB1       LYS  24  11.120  -4.024   0.944
  194   1HG   LYS  24          HG2       LYS  24  13.692  -4.261   2.107
  195   2HG   LYS  24          HG1       LYS  24  12.553  -4.909   3.288
  196   1HD   LYS  24          HD2       LYS  24  12.115  -5.699   0.452
  197   2HD   LYS  24          HD1       LYS  24  13.530  -6.384   1.252
  198   1HE   LYS  24          HE2       LYS  24  11.833  -6.893   3.210
  199   2HE   LYS  24          HE1       LYS  24  10.621  -6.755   1.921
  200   1HZ   LYS  24          HZ1       LYS  24  11.398  -9.008   1.978
  201   2HZ   LYS  24          HZ2       LYS  24  13.023  -8.510   1.930
  202   3HZ   LYS  24          HZ3       LYS  24  12.019  -8.277   0.579
  203    H    ALA  25           HN       ALA  25  11.407  -2.294  -0.959
  204    HA   ALA  25           HA       ALA  25  13.712  -3.402  -2.344
  205   1HB   ALA  25          HB1       ALA  25  11.114  -2.089  -3.174
  206   2HB   ALA  25          HB2       ALA  25  11.504  -3.809  -3.178
  207   3HB   ALA  25          HB3       ALA  25  12.269  -2.729  -4.343
  208    H    LYS  26           HN       LYS  26  12.988  -0.209  -1.256
  209    HA   LYS  26           HA       LYS  26  14.440   1.152  -3.433
  210   1HB   LYS  26          HB2       LYS  26  12.391   1.940  -2.020
  211   2HB   LYS  26          HB1       LYS  26  13.594   2.347  -0.797
  212   1HG   LYS  26          HG2       LYS  26  13.940   4.288  -1.889
  213   2HG   LYS  26          HG1       LYS  26  14.632   3.348  -3.212
  214   1HD   LYS  26          HD2       LYS  26  11.706   3.302  -3.227
  215   2HD   LYS  26          HD1       LYS  26  12.355   4.936  -3.369
  216   1HE   LYS  26          HE2       LYS  26  13.352   4.512  -5.415
  217   2HE   LYS  26          HE1       LYS  26  13.626   2.798  -5.042
  218   1HZ   LYS  26          HZ1       LYS  26  11.266   2.390  -5.202
  219   2HZ   LYS  26          HZ2       LYS  26  11.805   3.114  -6.644
  220   3HZ   LYS  26          HZ3       LYS  26  10.958   4.034  -5.493
  221    H    LEU  27           HN       LEU  27  14.912   0.663   0.098
  222    HA   LEU  27           HA       LEU  27  17.822   1.274  -0.313
  223   1HB   LEU  27          HB2       LEU  27  17.758   1.951   2.079
  224   2HB   LEU  27          HB1       LEU  27  16.614   2.867   1.102
  225    HG   LEU  27           HG       LEU  27  15.351   0.459   2.093
  226   1HD1  LEU  27          HD11      LEU  27  16.372   2.334   4.241
  227   2HD1  LEU  27          HD12      LEU  27  17.118   0.774   3.887
  228   3HD1  LEU  27          HD13      LEU  27  15.453   0.845   4.465
  229   1HD2  LEU  27          HD21      LEU  27  14.916   3.422   2.590
  230   2HD2  LEU  27          HD22      LEU  27  13.772   2.151   3.025
  231   3HD2  LEU  27          HD23      LEU  27  14.152   2.452   1.330
  232    H    MET  28           HN       MET  28  15.537  -1.090   0.984
  233    HA   MET  28           HA       MET  28  15.862  -3.247   1.874
  234   1HB   MET  28          HB2       MET  28  16.930  -3.275  -0.436
  235   2HB   MET  28          HB1       MET  28  18.482  -3.038   0.364
  236   1HG   MET  28          HG2       MET  28  18.313  -5.387   0.114
  237   2HG   MET  28          HG1       MET  28  17.853  -5.096   1.792
  238   1HE   MET  28          HE1       MET  28  15.863  -7.965  -0.349
  239   2HE   MET  28          HE2       MET  28  16.604  -7.875   1.247
  240   3HE   MET  28          HE3       MET  28  17.532  -7.406  -0.175
  241    HA   PRO  29           HA       PRO  29  18.719  -1.633   5.148
  242   1HB   PRO  29          HB2       PRO  29  16.965  -1.940   7.226
  243   2HB   PRO  29          HB1       PRO  29  17.036  -0.479   6.223
  244   1HG   PRO  29          HG2       PRO  29  15.114  -2.740   6.140
  245   2HG   PRO  29          HG1       PRO  29  14.840  -1.013   5.866
  246   1HD   PRO  29          HD2       PRO  29  15.044  -2.884   3.867
  247   2HD   PRO  29          HD1       PRO  29  15.381  -1.153   3.656
  248    H    GLN  30           HN       GLN  30  19.013  -2.849   7.459
  249    HA   GLN  30           HA       GLN  30  18.632  -5.793   7.134
  250   1HB   GLN  30          HB2       GLN  30  21.013  -6.178   7.439
  251   2HB   GLN  30          HB1       GLN  30  20.808  -5.035   6.113
  252   1HG   GLN  30          HG2       GLN  30  20.937  -3.403   8.371
  253   2HG   GLN  30          HG1       GLN  30  22.130  -4.660   8.694
  254   1HE2  GLN  30          HE21      GLN  30  21.141  -2.351   6.110
  255   2HE2  GLN  30          HE22      GLN  30  22.702  -2.168   5.472
  256    H    LEU  31           HN       LEU  31  19.239  -6.956   9.190
  257    HA   LEU  31           HA       LEU  31  19.201  -7.248  11.517
  258   1HB   LEU  31          HB2       LEU  31  20.607  -5.796  12.520
  259   2HB   LEU  31          HB1       LEU  31  20.633  -4.900  11.008
  260    HG   LEU  31           HG       LEU  31  18.341  -3.918  12.095
  261   1HD1  LEU  31          HD11      LEU  31  20.191  -4.207  14.465
  262   2HD1  LEU  31          HD12      LEU  31  18.896  -5.364  14.163
  263   3HD1  LEU  31          HD13      LEU  31  18.512  -3.666  14.448
  264   1HD2  LEU  31          HD21      LEU  31  19.877  -2.051  12.980
  265   2HD2  LEU  31          HD22      LEU  31  20.023  -2.455  11.271
  266   3HD2  LEU  31          HD23      LEU  31  21.218  -3.051  12.422
  Start of MODEL   40
    1   1H    SER   1           HT1      SER   1 -22.402   9.303   0.256
    2   2H    SER   1           HT2      SER   1 -22.844  10.852   0.794
    3   3H    SER   1           HT3      SER   1 -21.208  10.479   0.520
    4    HA   SER   1           HA       SER   1 -23.336  10.651  -1.560
    5   1HB   SER   1          HB2       SER   1 -21.823  12.610  -2.221
    6   2HB   SER   1          HB1       SER   1 -22.739  12.820  -0.732
    7    HG   SER   1           HG       SER   1 -20.000  12.316  -1.118
    8    H    GLY   2           HN       GLY   2 -22.856   9.296  -3.246
    9   1HA   GLY   2          HA2       GLY   2 -21.510   8.376  -4.980
   10   2HA   GLY   2          HA1       GLY   2 -20.080   9.035  -4.186
   11    H    SER   3           HN       SER   3 -20.852   6.230  -5.183
   12    HA   SER   3           HA       SER   3 -20.571   4.701  -2.628
   13   1HB   SER   3          HB2       SER   3 -22.371   4.286  -4.426
   14   2HB   SER   3          HB1       SER   3 -21.065   3.645  -5.422
   15    HG   SER   3           HG       SER   3 -21.825   1.921  -4.312
   16    H    TRP   4           HN       TRP   4 -18.232   6.049  -3.337
   17    HA   TRP   4           HA       TRP   4 -16.517   3.949  -4.620
   18   1HB   TRP   4          HB2       TRP   4 -16.883   6.603  -5.228
   19   2HB   TRP   4          HB1       TRP   4 -15.456   6.672  -4.194
   20    HD1  TRP   4           HD1      TRP   4 -16.659   4.414  -7.115
   21    HE1  TRP   4           HE1      TRP   4 -14.640   3.974  -8.660
   22    HE3  TRP   4           HE3      TRP   4 -13.044   7.000  -4.603
   23    HZ2  TRP   4           HZ2      TRP   4 -11.862   4.632  -8.807
   24    HZ3  TRP   4           HZ3      TRP   4 -10.722   7.076  -5.467
   25    HH2  TRP   4           HH2      TRP   4 -10.129   5.897  -7.564
   26    H    LEU   5           HN       LEU   5 -17.360   5.068  -1.575
   27    HA   LEU   5           HA       LEU   5 -14.856   5.385  -0.229
   28   1HB   LEU   5          HB2       LEU   5 -17.701   4.861   0.411
   29   2HB   LEU   5          HB1       LEU   5 -16.560   4.316   1.639
   30    HG   LEU   5           HG       LEU   5 -17.286   6.647   2.049
   31   1HD1  LEU   5          HD11      LEU   5 -15.156   7.461   2.585
   32   2HD1  LEU   5          HD12      LEU   5 -14.426   6.796   1.125
   33   3HD1  LEU   5          HD13      LEU   5 -14.872   5.727   2.455
   34   1HD2  LEU   5          HD21      LEU   5 -15.943   7.214  -0.615
   35   2HD2  LEU   5          HD22      LEU   5 -16.620   8.420   0.478
   36   3HD2  LEU   5          HD23      LEU   5 -17.681   7.262  -0.322
   37    H    ARG   6           HN       ARG   6 -16.931   2.477  -0.593
   38    HA   ARG   6           HA       ARG   6 -15.179   0.634   0.720
   39   1HB   ARG   6          HB2       ARG   6 -17.654   0.453  -0.062
   40   2HB   ARG   6          HB1       ARG   6 -16.977  -0.024  -1.620
   41   1HG   ARG   6          HG2       ARG   6 -15.792  -1.423   0.691
   42   2HG   ARG   6          HG1       ARG   6 -17.505  -1.760   0.442
   43   1HD   ARG   6          HD2       ARG   6 -16.440  -1.862  -2.140
   44   2HD   ARG   6          HD1       ARG   6 -15.211  -2.653  -1.134
   45    HE   ARG   6           HE       ARG   6 -16.982  -4.156  -0.280
   46   1HH1  ARG   6          HH11      ARG   6 -19.275  -2.300  -1.107
   47   2HH1  ARG   6          HH12      ARG   6 -19.949  -3.177  -2.440
   48   1HH2  ARG   6          HH21      ARG   6 -17.178  -5.245  -2.813
   49   2HH2  ARG   6          HH22      ARG   6 -18.755  -4.854  -3.409
   50    H    ASP   7           HN       ASP   7 -15.365   1.770  -2.645
   51    HA   ASP   7           HA       ASP   7 -13.538  -0.037  -3.870
   52   1HB   ASP   7          HB2       ASP   7 -15.028   1.609  -5.006
   53   2HB   ASP   7          HB1       ASP   7 -14.017   2.919  -4.396
   54    H    ILE   8           HN       ILE   8 -12.969   3.023  -2.117
   55    HA   ILE   8           HA       ILE   8 -10.093   3.048  -2.542
   56    HB   ILE   8           HB       ILE   8 -11.905   4.393  -0.504
   57   1HG1  ILE   8          HG12      ILE   8 -10.652   5.802  -2.828
   58   2HG1  ILE   8          HG11      ILE   8 -12.036   4.757  -3.152
   59   1HG2  ILE   8          HG21      ILE   8  -8.982   4.709  -1.174
   60   2HG2  ILE   8          HG22      ILE   8  -9.746   4.595   0.412
   61   3HG2  ILE   8          HG23      ILE   8  -9.909   6.069  -0.542
   62   1HD1  ILE   8          HD11      ILE   8 -11.935   7.085  -1.217
   63   2HD1  ILE   8          HD12      ILE   8 -13.291   5.965  -1.342
   64   3HD1  ILE   8          HD13      ILE   8 -12.865   6.991  -2.712
   65    H    TRP   9           HN       TRP   9 -12.240   1.727  -0.033
   66    HA   TRP   9           HA       TRP   9 -10.385   1.211   2.035
   67   1HB   TRP   9          HB2       TRP   9 -12.953   0.896   1.868
   68   2HB   TRP   9          HB1       TRP   9 -12.580  -0.693   1.199
   69    HD1  TRP   9           HD1      TRP   9 -12.915  -2.384   3.068
   70    HE1  TRP   9           HE1      TRP   9 -12.180  -2.579   5.531
   71    HE3  TRP   9           HE3      TRP   9 -10.686   2.170   3.693
   72    HZ2  TRP   9           HZ2      TRP   9 -10.829  -1.013   7.504
   73    HZ3  TRP   9           HZ3      TRP   9  -9.684   2.790   5.871
   74    HH2  TRP   9           HH2      TRP   9  -9.752   1.206   7.777
   75    H    ASP  10           HN       ASP  10 -11.330  -1.016  -0.636
   76    HA   ASP  10           HA       ASP  10  -9.362  -3.026  -0.011
   77   1HB   ASP  10          HB2       ASP  10 -11.485  -3.139  -1.471
   78   2HB   ASP  10          HB1       ASP  10 -10.511  -2.401  -2.743
   79    H    TRP  11           HN       TRP  11  -9.329  -0.157  -2.119
   80    HA   TRP  11           HA       TRP  11  -6.848  -0.595  -3.458
   81   1HB   TRP  11          HB2       TRP  11  -8.563   1.126  -4.001
   82   2HB   TRP  11          HB1       TRP  11  -8.167   1.978  -2.510
   83    HD1  TRP  11           HD1      TRP  11  -6.892   1.307  -6.018
   84    HE1  TRP  11           HE1      TRP  11  -4.878   2.845  -6.492
   85    HE3  TRP  11           HE3      TRP  11  -6.144   3.247  -1.353
   86    HZ2  TRP  11           HZ2      TRP  11  -3.175   4.658  -5.080
   87    HZ3  TRP  11           HZ3      TRP  11  -4.321   4.875  -0.947
   88    HH2  TRP  11           HH2      TRP  11  -2.837   5.583  -2.802
   89    H    ILE  12           HN       ILE  12  -7.567   0.895  -0.289
   90    HA   ILE  12           HA       ILE  12  -4.916   1.781   0.343
   91    HB   ILE  12           HB       ILE  12  -7.315   0.891   1.975
   92   1HG1  ILE  12          HG12      ILE  12  -6.169   3.668   1.794
   93   2HG1  ILE  12          HG11      ILE  12  -7.181   3.054   0.487
   94   1HG2  ILE  12          HG21      ILE  12  -5.629   0.570   3.559
   95   2HG2  ILE  12          HG22      ILE  12  -6.016   2.273   3.802
   96   3HG2  ILE  12          HG23      ILE  12  -4.596   1.818   2.861
   97   1HD1  ILE  12          HD11      ILE  12  -8.982   2.566   2.088
   98   2HD1  ILE  12          HD12      ILE  12  -8.528   4.268   2.172
   99   3HD1  ILE  12          HD13      ILE  12  -7.973   3.146   3.413
  100    H    CYS  13           HN       CYS  13  -6.560  -1.349   0.776
  101    HA   CYS  13           HA       CYS  13  -4.466  -2.648   2.280
  102   1HB   CYS  13          HB2       CYS  13  -6.951  -3.266   1.917
  103   2HB   CYS  13          HB1       CYS  13  -6.430  -3.951   0.379
  104    HG   CYS  13           HG       CYS  13  -6.169  -5.356   2.973
  105    H    GLU  14           HN       GLU  14  -5.180  -2.377  -1.214
  106    HA   GLU  14           HA       GLU  14  -3.135  -4.171  -2.140
  107   1HB   GLU  14          HB2       GLU  14  -5.061  -2.239  -3.164
  108   2HB   GLU  14          HB1       GLU  14  -3.546  -2.160  -4.061
  109   1HG   GLU  14          HG2       GLU  14  -4.807  -4.827  -3.456
  110   2HG   GLU  14          HG1       GLU  14  -5.367  -3.869  -4.827
  111    H    VAL  15           HN       VAL  15  -3.156  -0.728  -1.347
  112    HA   VAL  15           HA       VAL  15  -0.391  -0.282  -2.238
  113    HB   VAL  15           HB       VAL  15  -2.330   1.386  -0.591
  114   1HG1  VAL  15          HG11      VAL  15  -0.147   2.272  -0.230
  115   2HG1  VAL  15          HG12      VAL  15  -0.841   3.268  -1.508
  116   3HG1  VAL  15          HG13      VAL  15   0.323   2.003  -1.908
  117   1HG2  VAL  15          HG21      VAL  15  -1.970   2.448  -3.183
  118   2HG2  VAL  15          HG22      VAL  15  -3.419   1.672  -2.546
  119   3HG2  VAL  15          HG23      VAL  15  -2.214   0.716  -3.407
  120    H    LEU  16           HN       LEU  16  -2.054  -1.202   0.717
  121    HA   LEU  16           HA       LEU  16  -0.175  -0.461   2.706
  122   1HB   LEU  16          HB2       LEU  16  -2.558  -1.835   2.540
  123   2HB   LEU  16          HB1       LEU  16  -1.438  -3.124   2.969
  124    HG   LEU  16           HG       LEU  16  -2.349  -2.120   5.001
  125   1HD1  LEU  16          HD11      LEU  16   0.479  -1.095   4.690
  126   2HD1  LEU  16          HD12      LEU  16   0.108  -2.814   4.831
  127   3HD1  LEU  16          HD13      LEU  16  -0.300  -1.713   6.146
  128   1HD2  LEU  16          HD21      LEU  16  -2.158   0.209   5.507
  129   2HD2  LEU  16          HD22      LEU  16  -2.775   0.128   3.857
  130   3HD2  LEU  16          HD23      LEU  16  -1.073   0.489   4.144
  131    H    SER  17           HN       SER  17  -0.389  -3.559   0.893
  132    HA   SER  17           HA       SER  17   2.072  -4.656   1.927
  133   1HB   SER  17          HB2       SER  17   1.777  -6.130  -0.161
  134   2HB   SER  17          HB1       SER  17   0.426  -6.109   0.969
  135    HG   SER  17           HG       SER  17  -0.119  -5.799  -1.303
  136    H    ASP  18           HN       ASP  18   1.261  -2.715  -0.942
  137    HA   ASP  18           HA       ASP  18   3.817  -2.805  -2.243
  138   1HB   ASP  18          HB2       ASP  18   1.410  -1.923  -2.920
  139   2HB   ASP  18          HB1       ASP  18   2.014  -0.395  -2.277
  140    H    PHE  19           HN       PHE  19   2.471  -0.676   0.276
  141    HA   PHE  19           HA       PHE  19   4.538   1.276   0.421
  142   1HB   PHE  19          HB2       PHE  19   2.187   0.665   1.728
  143   2HB   PHE  19          HB1       PHE  19   3.386   0.334   2.975
  144    HD1  PHE  19           HD1      PHE  19   5.163   2.134   3.447
  145    HD2  PHE  19           HD2      PHE  19   1.566   2.886   1.223
  146    HE1  PHE  19           HE1      PHE  19   5.419   4.565   3.857
  147    HE2  PHE  19           HE2      PHE  19   1.822   5.319   1.634
  148    HZ   PHE  19           HZ       PHE  19   3.748   6.158   2.950
  149    H    LYS  20           HN       LYS  20   4.221  -1.899   2.023
  150    HA   LYS  20           HA       LYS  20   6.606  -1.818   3.590
  151   1HB   LYS  20          HB2       LYS  20   4.577  -3.471   3.490
  152   2HB   LYS  20          HB1       LYS  20   5.523  -4.300   2.253
  153   1HG   LYS  20          HG2       LYS  20   6.336  -5.398   4.109
  154   2HG   LYS  20          HG1       LYS  20   7.448  -4.029   4.098
  155   1HD   LYS  20          HD2       LYS  20   6.747  -3.790   6.259
  156   2HD   LYS  20          HD1       LYS  20   5.392  -2.951   5.503
  157   1HE   LYS  20          HE2       LYS  20   3.982  -4.508   6.351
  158   2HE   LYS  20          HE1       LYS  20   4.830  -5.762   5.425
  159   1HZ   LYS  20          HZ1       LYS  20   5.695  -4.676   8.058
  160   2HZ   LYS  20          HZ2       LYS  20   6.511  -5.868   7.161
  161   3HZ   LYS  20          HZ3       LYS  20   4.974  -6.192   7.809
  162    H    THR  21           HN       THR  21   6.027  -3.001   0.252
  163    HA   THR  21           HA       THR  21   8.762  -3.813  -0.236
  164    HB   THR  21           HB       THR  21   6.562  -2.963  -2.155
  165    HG1  THR  21           HG1      THR  21   5.619  -4.685  -1.450
  166   1HG2  THR  21          HG21      THR  21   8.761  -3.169  -3.226
  167   2HG2  THR  21          HG22      THR  21   7.713  -4.499  -3.720
  168   3HG2  THR  21          HG23      THR  21   8.971  -4.770  -2.514
  169    H    TRP  22           HN       TRP  22   6.966  -0.776  -0.702
  170    HA   TRP  22           HA       TRP  22   8.830   0.680  -2.281
  171   1HB   TRP  22          HB2       TRP  22   6.452   1.246  -1.442
  172   2HB   TRP  22          HB1       TRP  22   7.232   1.792   0.038
  173    HD1  TRP  22           HD1      TRP  22   6.750   2.707  -3.609
  174    HE1  TRP  22           HE1      TRP  22   7.698   5.070  -4.019
  175    HE3  TRP  22           HE3      TRP  22   9.073   3.515   0.866
  176    HZ2  TRP  22           HZ2      TRP  22   9.238   7.042  -2.630
  177    HZ3  TRP  22           HZ3      TRP  22  10.270   5.642   1.296
  178    HH2  TRP  22           HH2      TRP  22  10.357   7.404  -0.445
  179    H    LEU  23           HN       LEU  23   8.564   0.389   1.266
  180    HA   LEU  23           HA       LEU  23  10.836   1.991   1.957
  181   1HB   LEU  23          HB2       LEU  23   9.038  -0.011   3.191
  182   2HB   LEU  23          HB1       LEU  23  10.627   0.100   3.946
  183    HG   LEU  23           HG       LEU  23  10.211   2.684   3.851
  184   1HD1  LEU  23          HD11      LEU  23   8.159   2.478   2.447
  185   2HD1  LEU  23          HD12      LEU  23   7.850   3.309   3.971
  186   3HD1  LEU  23          HD13      LEU  23   7.368   1.624   3.773
  187   1HD2  LEU  23          HD21      LEU  23   9.059   2.564   6.047
  188   2HD2  LEU  23          HD22      LEU  23  10.353   1.373   5.931
  189   3HD2  LEU  23          HD23      LEU  23   8.673   0.871   5.741
  190    H    LYS  24           HN       LYS  24  10.521  -1.524   1.330
  191    HA   LYS  24           HA       LYS  24  13.276  -2.199   1.862
  192   1HB   LYS  24          HB2       LYS  24  10.916  -3.398   0.443
  193   2HB   LYS  24          HB1       LYS  24  12.499  -4.144   0.224
  194   1HG   LYS  24          HG2       LYS  24  12.317  -3.653   2.981
  195   2HG   LYS  24          HG1       LYS  24  10.725  -4.258   2.524
  196   1HD   LYS  24          HD2       LYS  24  13.193  -5.645   1.510
  197   2HD   LYS  24          HD1       LYS  24  12.619  -5.967   3.145
  198   1HE   LYS  24          HE2       LYS  24  10.727  -7.064   2.411
  199   2HE   LYS  24          HE1       LYS  24  10.572  -6.042   0.968
  200   1HZ   LYS  24          HZ1       LYS  24  11.333  -8.236   0.336
  201   2HZ   LYS  24          HZ2       LYS  24  12.639  -8.136   1.421
  202   3HZ   LYS  24          HZ3       LYS  24  12.571  -7.108   0.068
  203    H    ALA  25           HN       ALA  25  11.528  -1.179  -1.066
  204    HA   ALA  25           HA       ALA  25  13.751  -1.552  -2.894
  205   1HB   ALA  25          HB1       ALA  25  11.329  -1.477  -3.493
  206   2HB   ALA  25          HB2       ALA  25  12.274  -0.306  -4.412
  207   3HB   ALA  25          HB3       ALA  25  11.295   0.229  -3.047
  208    H    LYS  26           HN       LYS  26  12.676   1.086  -0.792
  209    HA   LYS  26           HA       LYS  26  14.167   3.233  -1.963
  210   1HB   LYS  26          HB2       LYS  26  12.309   3.322  -0.250
  211   2HB   LYS  26          HB1       LYS  26  13.471   2.764   0.954
  212   1HG   LYS  26          HG2       LYS  26  13.678   5.052   1.239
  213   2HG   LYS  26          HG1       LYS  26  14.908   4.788   0.004
  214   1HD   LYS  26          HD2       LYS  26  12.418   5.107  -1.342
  215   2HD   LYS  26          HD1       LYS  26  12.545   6.407  -0.156
  216   1HE   LYS  26          HE2       LYS  26  15.003   6.645  -1.083
  217   2HE   LYS  26          HE1       LYS  26  14.336   5.809  -2.499
  218   1HZ   LYS  26          HZ1       LYS  26  12.552   7.425  -2.593
  219   2HZ   LYS  26          HZ2       LYS  26  14.049   8.225  -2.659
  220   3HZ   LYS  26          HZ3       LYS  26  13.150   8.219  -1.218
  221    H    LEU  27           HN       LEU  27  15.045   0.836   0.547
  222    HA   LEU  27           HA       LEU  27  17.760   1.991   0.792
  223   1HB   LEU  27          HB2       LEU  27  17.976   0.349   2.593
  224   2HB   LEU  27          HB1       LEU  27  16.435   1.190   2.742
  225    HG   LEU  27           HG       LEU  27  15.738  -0.923   1.141
  226   1HD1  LEU  27          HD11      LEU  27  16.833  -2.801   2.764
  227   2HD1  LEU  27          HD12      LEU  27  18.164  -1.647   2.688
  228   3HD1  LEU  27          HD13      LEU  27  17.522  -2.352   1.204
  229   1HD2  LEU  27          HD21      LEU  27  14.581  -1.745   3.063
  230   2HD2  LEU  27          HD22      LEU  27  14.715  -0.003   3.305
  231   3HD2  LEU  27          HD23      LEU  27  15.800  -1.099   4.162
  232    H    MET  28           HN       MET  28  16.355  -0.035  -1.443
  233    HA   MET  28           HA       MET  28  18.505  -2.037  -1.634
  234   1HB   MET  28          HB2       MET  28  15.845  -1.487  -2.758
  235   2HB   MET  28          HB1       MET  28  16.975  -2.137  -3.946
  236   1HG   MET  28          HG2       MET  28  17.556  -3.890  -2.124
  237   2HG   MET  28          HG1       MET  28  16.055  -3.376  -1.354
  238   1HE   MET  28          HE1       MET  28  16.682  -5.570  -5.305
  239   2HE   MET  28          HE2       MET  28  17.607  -5.800  -3.823
  240   3HE   MET  28          HE3       MET  28  17.685  -4.258  -4.672
  241    HA   PRO  29           HA       PRO  29  20.857   0.863  -4.137
  242   1HB   PRO  29          HB2       PRO  29  23.097  -0.694  -4.339
  243   2HB   PRO  29          HB1       PRO  29  22.713   0.272  -2.903
  244   1HG   PRO  29          HG2       PRO  29  22.395  -2.643  -3.366
  245   2HG   PRO  29          HG1       PRO  29  22.839  -1.775  -1.888
  246   1HD   PRO  29          HD2       PRO  29  20.338  -2.800  -2.399
  247   2HD   PRO  29          HD1       PRO  29  20.670  -1.469  -1.269
  248    H    GLN  30           HN       GLN  30  22.392   0.321  -6.205
  249    HA   GLN  30           HA       GLN  30  21.048  -1.753  -7.900
  250   1HB   GLN  30          HB2       GLN  30  20.931   1.156  -8.056
  251   2HB   GLN  30          HB1       GLN  30  21.565   0.461  -9.547
  252   1HG   GLN  30          HG2       GLN  30  19.024  -0.486  -8.189
  253   2HG   GLN  30          HG1       GLN  30  19.057   0.672  -9.518
  254   1HE2  GLN  30          HE21      GLN  30  20.594  -0.251 -11.454
  255   2HE2  GLN  30          HE22      GLN  30  20.266  -1.861 -11.878
  256    H    LEU  31           HN       LEU  31  22.412  -2.627  -9.536
  257    HA   LEU  31           HA       LEU  31  25.208  -1.597  -9.715
  258   1HB   LEU  31          HB2       LEU  31  24.611  -3.564  -7.986
  259   2HB   LEU  31          HB1       LEU  31  24.780  -4.543  -9.442
  260    HG   LEU  31           HG       LEU  31  26.893  -2.503  -8.940
  261   1HD1  LEU  31          HD11      LEU  31  28.090  -4.074  -7.424
  262   2HD1  LEU  31          HD12      LEU  31  26.647  -5.087  -7.368
  263   3HD1  LEU  31          HD13      LEU  31  26.604  -3.454  -6.703
  264   1HD2  LEU  31          HD21      LEU  31  28.298  -4.331  -9.857
  265   2HD2  LEU  31          HD22      LEU  31  26.938  -3.969 -10.920
  266   3HD2  LEU  31          HD23      LEU  31  26.889  -5.392  -9.879
  Start of MODEL   41
    1   1H    SER   1           HT1      SER   1 -18.842   9.730  -7.041
    2   2H    SER   1           HT2      SER   1 -18.061   8.459  -7.852
    3   3H    SER   1           HT3      SER   1 -17.599   8.871  -6.269
    4    HA   SER   1           HA       SER   1 -20.274   7.791  -7.024
    5   1HB   SER   1          HB2       SER   1 -18.493   6.169  -7.390
    6   2HB   SER   1          HB1       SER   1 -17.765   6.561  -5.835
    7    HG   SER   1           HG       SER   1 -19.860   4.911  -6.439
    8    H    GLY   2           HN       GLY   2 -21.474   7.141  -5.052
    9   1HA   GLY   2          HA2       GLY   2 -21.023   9.053  -2.837
   10   2HA   GLY   2          HA1       GLY   2 -22.476   8.084  -3.084
   11    H    SER   3           HN       SER   3 -21.526   5.528  -3.259
   12    HA   SER   3           HA       SER   3 -20.549   5.040  -0.497
   13   1HB   SER   3          HB2       SER   3 -21.253   2.692  -1.108
   14   2HB   SER   3          HB1       SER   3 -22.545   3.880  -1.252
   15    HG   SER   3           HG       SER   3 -22.320   2.450  -3.086
   16    H    TRP   4           HN       TRP   4 -18.456   6.072  -1.892
   17    HA   TRP   4           HA       TRP   4 -16.889   3.852  -3.094
   18   1HB   TRP   4          HB2       TRP   4 -17.200   6.549  -3.627
   19   2HB   TRP   4          HB1       TRP   4 -15.650   6.503  -2.787
   20    HD1  TRP   4           HD1      TRP   4 -17.288   4.165  -5.418
   21    HE1  TRP   4           HE1      TRP   4 -15.555   3.720  -7.274
   22    HE3  TRP   4           HE3      TRP   4 -13.403   7.003  -3.699
   23    HZ2  TRP   4           HZ2      TRP   4 -12.875   4.465  -7.939
   24    HZ3  TRP   4           HZ3      TRP   4 -11.275   7.116  -4.963
   25    HH2  TRP   4           HH2      TRP   4 -11.006   5.853  -7.079
   26    H    LEU   5           HN       LEU   5 -17.263   5.387  -0.030
   27    HA   LEU   5           HA       LEU   5 -14.621   5.345   1.025
   28   1HB   LEU   5          HB2       LEU   5 -17.399   5.010   2.173
   29   2HB   LEU   5          HB1       LEU   5 -15.976   4.982   3.215
   30    HG   LEU   5           HG       LEU   5 -16.243   7.215   1.237
   31   1HD1  LEU   5          HD11      LEU   5 -17.788   6.950   3.828
   32   2HD1  LEU   5          HD12      LEU   5 -18.437   7.251   2.216
   33   3HD1  LEU   5          HD13      LEU   5 -17.493   8.496   3.035
   34   1HD2  LEU   5          HD21      LEU   5 -14.210   6.962   2.620
   35   2HD2  LEU   5          HD22      LEU   5 -15.198   7.006   4.081
   36   3HD2  LEU   5          HD23      LEU   5 -15.082   8.433   3.050
   37    H    ARG   6           HN       ARG   6 -17.009   2.734   0.655
   38    HA   ARG   6           HA       ARG   6 -15.430   0.768   2.146
   39   1HB   ARG   6          HB2       ARG   6 -18.050   1.054   1.272
   40   2HB   ARG   6          HB1       ARG   6 -17.417  -0.187   0.191
   41   1HG   ARG   6          HG2       ARG   6 -18.181  -1.444   2.020
   42   2HG   ARG   6          HG1       ARG   6 -16.462  -1.259   2.373
   43   1HD   ARG   6          HD2       ARG   6 -16.848   0.362   4.040
   44   2HD   ARG   6          HD1       ARG   6 -18.461   0.755   3.413
   45    HE   ARG   6           HE       ARG   6 -17.774  -1.784   4.840
   46   1HH1  ARG   6          HH11      ARG   6 -19.528   0.199   6.189
   47   2HH1  ARG   6          HH12      ARG   6 -21.116  -0.371   5.800
   48   1HH2  ARG   6          HH21      ARG   6 -20.034  -2.403   3.196
   49   2HH2  ARG   6          HH22      ARG   6 -21.404  -1.851   4.100
   50    H    ASP   7           HN       ASP   7 -15.896   1.701  -1.244
   51    HA   ASP   7           HA       ASP   7 -14.421  -0.484  -2.433
   52   1HB   ASP   7          HB2       ASP   7 -16.086   0.913  -3.601
   53   2HB   ASP   7          HB1       ASP   7 -15.065   2.332  -3.380
   54    H    ILE   8           HN       ILE   8 -13.507   2.792  -1.333
   55    HA   ILE   8           HA       ILE   8 -10.873   2.866  -2.423
   56    HB   ILE   8           HB       ILE   8 -12.395   4.655  -1.243
   57   1HG1  ILE   8          HG12      ILE   8 -10.159   5.805  -0.435
   58   2HG1  ILE   8          HG11      ILE   8  -9.401   4.406  -1.194
   59   1HG2  ILE   8          HG21      ILE   8 -12.142   3.164   0.945
   60   2HG2  ILE   8          HG22      ILE   8 -12.219   4.922   1.051
   61   3HG2  ILE   8          HG23      ILE   8 -10.661   4.100   1.134
   62   1HD1  ILE   8          HD11      ILE   8 -10.621   4.908  -3.297
   63   2HD1  ILE   8          HD12      ILE   8  -9.581   6.246  -2.809
   64   3HD1  ILE   8          HD13      ILE   8 -11.321   6.335  -2.534
   65    H    TRP   9           HN       TRP   9 -12.139   1.166   0.395
   66    HA   TRP   9           HA       TRP   9  -9.762   0.785   1.897
   67   1HB   TRP   9          HB2       TRP   9 -12.119   0.201   2.539
   68   2HB   TRP   9          HB1       TRP   9 -12.032  -1.176   1.440
   69    HD1  TRP   9           HD1      TRP   9 -11.784  -3.239   2.925
   70    HE1  TRP   9           HE1      TRP   9 -10.223  -3.934   4.854
   71    HE3  TRP   9           HE3      TRP   9  -9.270   1.148   3.656
   72    HZ2  TRP   9           HZ2      TRP   9  -8.179  -2.783   6.491
   73    HZ3  TRP   9           HZ3      TRP   9  -7.523   1.320   5.402
   74    HH2  TRP   9           HH2      TRP   9  -6.974  -0.638   6.820
   75    H    ASP  10           HN       ASP  10 -11.040  -1.100  -0.868
   76    HA   ASP  10           HA       ASP  10  -9.032  -3.148  -0.866
   77   1HB   ASP  10          HB2       ASP  10 -11.056  -3.414  -2.134
   78   2HB   ASP  10          HB1       ASP  10 -10.799  -1.894  -2.987
   79    H    TRP  11           HN       TRP  11  -9.222  -0.032  -2.634
   80    HA   TRP  11           HA       TRP  11  -6.733  -0.206  -4.017
   81   1HB   TRP  11          HB2       TRP  11  -8.521   1.440  -4.464
   82   2HB   TRP  11          HB1       TRP  11  -8.251   2.177  -2.886
   83    HD1  TRP  11           HD1      TRP  11  -6.768   1.908  -6.374
   84    HE1  TRP  11           HE1      TRP  11  -4.886   3.652  -6.624
   85    HE3  TRP  11           HE3      TRP  11  -6.428   3.538  -1.547
   86    HZ2  TRP  11           HZ2      TRP  11  -3.428   5.493  -4.991
   87    HZ3  TRP  11           HZ3      TRP  11  -4.787   5.285  -0.922
   88    HH2  TRP  11           HH2      TRP  11  -3.287   6.264  -2.636
   89    H    ILE  12           HN       ILE  12  -7.525   1.023  -0.759
   90    HA   ILE  12           HA       ILE  12  -4.920   2.006  -0.069
   91    HB   ILE  12           HB       ILE  12  -7.285   0.923   1.495
   92   1HG1  ILE  12          HG12      ILE  12  -6.265   3.756   1.449
   93   2HG1  ILE  12          HG11      ILE  12  -7.256   3.155   0.119
   94   1HG2  ILE  12          HG21      ILE  12  -6.051   2.289   3.393
   95   2HG2  ILE  12          HG22      ILE  12  -4.612   1.908   2.448
   96   3HG2  ILE  12          HG23      ILE  12  -5.614   0.606   3.090
   97   1HD1  ILE  12          HD11      ILE  12  -8.029   3.121   3.052
   98   2HD1  ILE  12          HD12      ILE  12  -9.012   2.496   1.728
   99   3HD1  ILE  12          HD13      ILE  12  -8.666   4.223   1.831
  100    H    CYS  13           HN       CYS  13  -6.401  -1.224   0.121
  101    HA   CYS  13           HA       CYS  13  -4.269  -2.501   1.600
  102   1HB   CYS  13          HB2       CYS  13  -6.759  -3.171   1.044
  103   2HB   CYS  13          HB1       CYS  13  -6.043  -3.891  -0.397
  104    HG   CYS  13           HG       CYS  13  -5.003  -4.692   2.442
  105    H    GLU  14           HN       GLU  14  -4.955  -2.095  -1.890
  106    HA   GLU  14           HA       GLU  14  -2.838  -3.735  -2.900
  107   1HB   GLU  14          HB2       GLU  14  -4.725  -1.672  -3.814
  108   2HB   GLU  14          HB1       GLU  14  -3.217  -1.689  -4.724
  109   1HG   GLU  14          HG2       GLU  14  -4.577  -4.298  -4.154
  110   2HG   GLU  14          HG1       GLU  14  -5.226  -3.267  -5.428
  111    H    VAL  15           HN       VAL  15  -2.957  -0.344  -1.908
  112    HA   VAL  15           HA       VAL  15  -0.191   0.229  -2.696
  113    HB   VAL  15           HB       VAL  15  -2.170   1.701  -0.911
  114   1HG1  VAL  15          HG11      VAL  15  -0.217   2.827  -0.449
  115   2HG1  VAL  15          HG12      VAL  15  -0.630   3.637  -1.961
  116   3HG1  VAL  15          HG13      VAL  15   0.553   2.328  -1.956
  117   1HG2  VAL  15          HG21      VAL  15  -3.256   2.294  -2.796
  118   2HG2  VAL  15          HG22      VAL  15  -2.220   1.200  -3.712
  119   3HG2  VAL  15          HG23      VAL  15  -1.754   2.888  -3.503
  120    H    LEU  16           HN       LEU  16  -1.919  -0.781   0.225
  121    HA   LEU  16           HA       LEU  16   0.066  -0.272   2.201
  122   1HB   LEU  16          HB2       LEU  16  -2.461  -1.401   2.036
  123   2HB   LEU  16          HB1       LEU  16  -1.459  -2.774   2.493
  124    HG   LEU  16           HG       LEU  16  -2.253  -1.668   4.510
  125   1HD1  LEU  16          HD11      LEU  16   0.158  -2.519   4.320
  126   2HD1  LEU  16          HD12      LEU  16  -0.168  -1.375   5.623
  127   3HD1  LEU  16          HD13      LEU  16   0.630  -0.827   4.149
  128   1HD2  LEU  16          HD21      LEU  16  -0.812   0.837   3.619
  129   2HD2  LEU  16          HD22      LEU  16  -1.954   0.650   4.950
  130   3HD2  LEU  16          HD23      LEU  16  -2.524   0.580   3.283
  131    H    SER  17           HN       SER  17  -0.452  -3.184   0.163
  132    HA   SER  17           HA       SER  17   1.747  -4.701   1.247
  133   1HB   SER  17          HB2       SER  17   1.436  -5.971  -0.932
  134   2HB   SER  17          HB1       SER  17  -0.038  -5.764   0.007
  135    HG   SER  17           HG       SER  17   0.651  -4.774  -2.458
  136    H    ASP  18           HN       ASP  18   1.453  -2.486  -1.534
  137    HA   ASP  18           HA       ASP  18   4.143  -2.807  -2.515
  138   1HB   ASP  18          HB2       ASP  18   2.271  -1.846  -3.809
  139   2HB   ASP  18          HB1       ASP  18   2.172  -0.497  -2.676
  140    H    PHE  19           HN       PHE  19   2.649  -0.428  -0.287
  141    HA   PHE  19           HA       PHE  19   4.870   1.245   0.191
  142   1HB   PHE  19          HB2       PHE  19   2.299   0.632   1.322
  143   2HB   PHE  19          HB1       PHE  19   3.464   0.778   2.634
  144    HD1  PHE  19           HD1      PHE  19   2.548   2.500  -0.577
  145    HD2  PHE  19           HD2      PHE  19   3.911   2.904   3.478
  146    HE1  PHE  19           HE1      PHE  19   2.504   4.969  -0.806
  147    HE2  PHE  19           HE2      PHE  19   3.866   5.372   3.247
  148    HZ   PHE  19           HZ       PHE  19   3.162   6.404   1.105
  149    H    LYS  20           HN       LYS  20   4.065  -1.915   1.634
  150    HA   LYS  20           HA       LYS  20   6.147  -1.991   3.605
  151   1HB   LYS  20          HB2       LYS  20   4.048  -3.609   2.646
  152   2HB   LYS  20          HB1       LYS  20   5.508  -4.572   2.421
  153   1HG   LYS  20          HG2       LYS  20   5.000  -5.115   4.617
  154   2HG   LYS  20          HG1       LYS  20   6.048  -3.720   4.876
  155   1HD   LYS  20          HD2       LYS  20   4.317  -2.899   6.097
  156   2HD   LYS  20          HD1       LYS  20   3.601  -2.517   4.532
  157   1HE   LYS  20          HE2       LYS  20   3.192  -5.188   5.923
  158   2HE   LYS  20          HE1       LYS  20   2.068  -3.824   6.077
  159   1HZ   LYS  20          HZ1       LYS  20   1.258  -4.976   4.239
  160   2HZ   LYS  20          HZ2       LYS  20   2.810  -5.337   3.646
  161   3HZ   LYS  20          HZ3       LYS  20   2.197  -3.755   3.529
  162    H    THR  21           HN       THR  21   6.060  -3.012   0.175
  163    HA   THR  21           HA       THR  21   8.834  -3.985   0.232
  164    HB   THR  21           HB       THR  21   7.147  -3.355  -2.199
  165    HG1  THR  21           HG1      THR  21   6.963  -5.584  -0.453
  166   1HG2  THR  21          HG21      THR  21   8.980  -5.697  -1.673
  167   2HG2  THR  21          HG22      THR  21   9.571  -4.169  -2.327
  168   3HG2  THR  21          HG23      THR  21   8.381  -5.111  -3.224
  169    H    TRP  22           HN       TRP  22   7.094  -1.078  -0.858
  170    HA   TRP  22           HA       TRP  22   9.160   0.244  -2.292
  171   1HB   TRP  22          HB2       TRP  22   6.665   0.823  -1.876
  172   2HB   TRP  22          HB1       TRP  22   7.222   1.584  -0.391
  173    HD1  TRP  22           HD1      TRP  22   7.091   2.064  -4.120
  174    HE1  TRP  22           HE1      TRP  22   8.106   4.355  -4.730
  175    HE3  TRP  22           HE3      TRP  22   9.109   3.367   0.388
  176    HZ2  TRP  22           HZ2      TRP  22   9.578   6.461  -3.473
  177    HZ3  TRP  22           HZ3      TRP  22  10.308   5.518   0.653
  178    HH2  TRP  22           HH2      TRP  22  10.545   7.066  -1.269
  179    H    LEU  23           HN       LEU  23   8.326   0.435   1.178
  180    HA   LEU  23           HA       LEU  23  10.509   2.122   1.975
  181   1HB   LEU  23          HB2       LEU  23   8.628   0.178   3.296
  182   2HB   LEU  23          HB1       LEU  23   9.945   0.879   4.235
  183    HG   LEU  23           HG       LEU  23   8.101   2.616   2.594
  184   1HD1  LEU  23          HD11      LEU  23   7.733   1.760   5.483
  185   2HD1  LEU  23          HD12      LEU  23   6.698   1.293   4.135
  186   3HD1  LEU  23          HD13      LEU  23   6.774   2.979   4.644
  187   1HD2  LEU  23          HD21      LEU  23   8.836   4.318   4.230
  188   2HD2  LEU  23          HD22      LEU  23  10.219   3.585   3.420
  189   3HD2  LEU  23          HD23      LEU  23   9.802   3.100   5.063
  190    H    LYS  24           HN       LYS  24  10.190  -1.434   1.782
  191    HA   LYS  24           HA       LYS  24  12.737  -2.080   2.965
  192   1HB   LYS  24          HB2       LYS  24  10.609  -3.383   1.342
  193   2HB   LYS  24          HB1       LYS  24  12.195  -4.151   1.286
  194   1HG   LYS  24          HG2       LYS  24  11.435  -3.362   4.001
  195   2HG   LYS  24          HG1       LYS  24  10.293  -4.500   3.285
  196   1HD   LYS  24          HD2       LYS  24  11.743  -6.190   3.599
  197   2HD   LYS  24          HD1       LYS  24  12.953  -5.352   2.627
  198   1HE   LYS  24          HE2       LYS  24  14.173  -5.035   4.510
  199   2HE   LYS  24          HE1       LYS  24  12.864  -4.020   5.148
  200   1HZ   LYS  24          HZ1       LYS  24  13.235  -5.909   6.602
  201   2HZ   LYS  24          HZ2       LYS  24  13.012  -6.989   5.310
  202   3HZ   LYS  24          HZ3       LYS  24  11.714  -6.041   5.864
  203    H    ALA  25           HN       ALA  25  11.707  -1.441  -0.390
  204    HA   ALA  25           HA       ALA  25  14.207  -2.090  -1.664
  205   1HB   ALA  25          HB1       ALA  25  13.179  -1.046  -3.566
  206   2HB   ALA  25          HB2       ALA  25  12.150  -0.046  -2.540
  207   3HB   ALA  25          HB3       ALA  25  11.864  -1.783  -2.651
  208    H    LYS  26           HN       LYS  26  12.904   0.942  -0.298
  209    HA   LYS  26           HA       LYS  26  15.106   2.617  -1.177
  210   1HB   LYS  26          HB2       LYS  26  12.604   3.035  -0.267
  211   2HB   LYS  26          HB1       LYS  26  13.482   3.272   1.243
  212   1HG   LYS  26          HG2       LYS  26  14.660   4.612  -1.124
  213   2HG   LYS  26          HG1       LYS  26  13.094   5.239  -0.604
  214   1HD   LYS  26          HD2       LYS  26  14.071   5.300   1.764
  215   2HD   LYS  26          HD1       LYS  26  15.643   5.037   1.009
  216   1HE   LYS  26          HE2       LYS  26  14.793   7.071  -0.540
  217   2HE   LYS  26          HE1       LYS  26  13.896   7.456   0.941
  218   1HZ   LYS  26          HZ1       LYS  26  16.047   8.435   1.138
  219   2HZ   LYS  26          HZ2       LYS  26  16.821   6.993   0.681
  220   3HZ   LYS  26          HZ3       LYS  26  16.016   7.093   2.175
  221    H    LEU  27           HN       LEU  27  14.457   0.701   1.748
  222    HA   LEU  27           HA       LEU  27  16.831   1.765   3.144
  223   1HB   LEU  27          HB2       LEU  27  14.541   1.071   4.115
  224   2HB   LEU  27          HB1       LEU  27  15.102  -0.589   3.923
  225    HG   LEU  27           HG       LEU  27  17.212   0.190   5.210
  226   1HD1  LEU  27          HD11      LEU  27  16.149   2.660   4.947
  227   2HD1  LEU  27          HD12      LEU  27  17.210   2.218   6.282
  228   3HD1  LEU  27          HD13      LEU  27  15.462   2.215   6.508
  229   1HD2  LEU  27          HD21      LEU  27  15.657   0.203   7.415
  230   2HD2  LEU  27          HD22      LEU  27  15.972  -1.264   6.488
  231   3HD2  LEU  27          HD23      LEU  27  14.473  -0.368   6.240
  232    H    MET  28           HN       MET  28  18.659   1.069   2.010
  233    HA   MET  28           HA       MET  28  19.339  -1.796   2.231
  234   1HB   MET  28          HB2       MET  28  18.125  -0.780  -0.077
  235   2HB   MET  28          HB1       MET  28  19.840  -0.832  -0.483
  236   1HG   MET  28          HG2       MET  28  19.817  -3.082  -0.624
  237   2HG   MET  28          HG1       MET  28  19.024  -3.232   0.944
  238   1HE   MET  28          HE1       MET  28  19.015  -4.513  -2.028
  239   2HE   MET  28          HE2       MET  28  18.450  -3.167  -3.013
  240   3HE   MET  28          HE3       MET  28  17.416  -4.574  -2.779
  241    HA   PRO  29           HA       PRO  29  23.325   0.058   2.667
  242   1HB   PRO  29          HB2       PRO  29  24.901  -2.144   2.268
  243   2HB   PRO  29          HB1       PRO  29  23.952  -1.892   3.742
  244   1HG   PRO  29          HG2       PRO  29  23.429  -3.672   1.437
  245   2HG   PRO  29          HG1       PRO  29  23.033  -3.888   3.147
  246   1HD   PRO  29          HD2       PRO  29  21.252  -3.113   1.165
  247   2HD   PRO  29          HD1       PRO  29  21.010  -2.898   2.912
  248    H    GLN  30           HN       GLN  30  25.680  -0.649   1.309
  249    HA   GLN  30           HA       GLN  30  25.387   0.696  -1.223
  250   1HB   GLN  30          HB2       GLN  30  27.563  -0.942   0.104
  251   2HB   GLN  30          HB1       GLN  30  27.799  -0.164  -1.461
  252   1HG   GLN  30          HG2       GLN  30  26.706   1.870   0.059
  253   2HG   GLN  30          HG1       GLN  30  27.728   1.027   1.223
  254   1HE2  GLN  30          HE21      GLN  30  29.932   1.550   1.154
  255   2HE2  GLN  30          HE22      GLN  30  30.698   2.322  -0.149
  256    H    LEU  31           HN       LEU  31  25.749  -2.750  -0.347
  257    HA   LEU  31           HA       LEU  31  25.452  -3.533  -3.204
  258   1HB   LEU  31          HB2       LEU  31  26.205  -5.706  -2.409
  259   2HB   LEU  31          HB1       LEU  31  27.245  -4.467  -1.709
  260    HG   LEU  31           HG       LEU  31  25.116  -4.735   0.108
  261   1HD1  LEU  31          HD11      LEU  31  26.121  -7.437  -0.839
  262   2HD1  LEU  31          HD12      LEU  31  24.468  -6.838  -0.978
  263   3HD1  LEU  31          HD13      LEU  31  25.156  -7.167   0.612
  264   1HD2  LEU  31          HD21      LEU  31  27.986  -5.664   0.023
  265   2HD2  LEU  31          HD22      LEU  31  26.980  -5.957   1.441
  266   3HD2  LEU  31          HD23      LEU  31  27.296  -4.305   0.911
  Start of MODEL   42
    1   1H    SER   1           HT1      SER   1 -19.624   9.460  -8.639
    2   2H    SER   1           HT2      SER   1 -20.419   8.024  -9.079
    3   3H    SER   1           HT3      SER   1 -18.901   8.396  -9.745
    4    HA   SER   1           HA       SER   1 -18.482   6.770  -8.093
    5   1HB   SER   1          HB2       SER   1 -17.180   9.029  -8.272
    6   2HB   SER   1          HB1       SER   1 -17.950   9.412  -6.735
    7    HG   SER   1           HG       SER   1 -15.795   7.997  -7.099
    8    H    GLY   2           HN       GLY   2 -20.128   9.551  -6.491
    9   1HA   GLY   2          HA2       GLY   2 -21.773   9.555  -4.813
   10   2HA   GLY   2          HA1       GLY   2 -22.024   7.840  -5.135
   11    H    SER   3           HN       SER   3 -21.624   6.621  -3.362
   12    HA   SER   3           HA       SER   3 -19.722   7.615  -1.297
   13   1HB   SER   3          HB2       SER   3 -22.236   6.553  -1.178
   14   2HB   SER   3          HB1       SER   3 -21.264   5.110  -0.910
   15    HG   SER   3           HG       SER   3 -21.540   6.040   1.066
   16    H    TRP   4           HN       TRP   4 -17.941   7.036  -2.960
   17    HA   TRP   4           HA       TRP   4 -17.362   4.118  -3.113
   18   1HB   TRP   4          HB2       TRP   4 -17.163   6.239  -4.873
   19   2HB   TRP   4          HB1       TRP   4 -15.500   6.059  -4.319
   20    HD1  TRP   4           HD1      TRP   4 -18.299   3.562  -5.322
   21    HE1  TRP   4           HE1      TRP   4 -17.253   1.778  -6.860
   22    HE3  TRP   4           HE3      TRP   4 -13.481   5.248  -5.480
   23    HZ2  TRP   4           HZ2      TRP   4 -14.709   1.150  -8.009
   24    HZ3  TRP   4           HZ3      TRP   4 -11.770   4.040  -6.803
   25    HH2  TRP   4           HH2      TRP   4 -12.376   1.996  -8.067
   26    H    LEU   5           HN       LEU   5 -17.044   5.865  -0.591
   27    HA   LEU   5           HA       LEU   5 -14.231   6.243  -0.076
   28   1HB   LEU   5          HB2       LEU   5 -16.358   7.172   1.092
   29   2HB   LEU   5          HB1       LEU   5 -16.372   5.645   1.975
   30    HG   LEU   5           HG       LEU   5 -13.923   6.143   2.565
   31   1HD1  LEU   5          HD11      LEU   5 -13.358   8.580   2.528
   32   2HD1  LEU   5          HD12      LEU   5 -14.813   8.870   1.576
   33   3HD1  LEU   5          HD13      LEU   5 -13.507   7.889   0.913
   34   1HD2  LEU   5          HD21      LEU   5 -14.569   7.438   4.484
   35   2HD2  LEU   5          HD22      LEU   5 -15.951   6.423   4.077
   36   3HD2  LEU   5          HD23      LEU   5 -15.950   8.129   3.630
   37    H    ARG   6           HN       ARG   6 -16.505   3.602   0.751
   38    HA   ARG   6           HA       ARG   6 -14.592   1.926   2.094
   39   1HB   ARG   6          HB2       ARG   6 -17.355   1.896   1.181
   40   2HB   ARG   6          HB1       ARG   6 -16.592   0.333   0.906
   41   1HG   ARG   6          HG2       ARG   6 -16.446  -0.126   3.126
   42   2HG   ARG   6          HG1       ARG   6 -15.969   1.523   3.530
   43   1HD   ARG   6          HD2       ARG   6 -18.737   1.418   2.598
   44   2HD   ARG   6          HD1       ARG   6 -18.478   0.390   4.021
   45    HE   ARG   6           HE       ARG   6 -17.505   3.224   3.973
   46   1HH1  ARG   6          HH11      ARG   6 -17.032   1.324   6.313
   47   2HH1  ARG   6          HH12      ARG   6 -18.288   1.809   7.401
   48   1HH2  ARG   6          HH21      ARG   6 -20.076   3.546   4.978
   49   2HH2  ARG   6          HH22      ARG   6 -20.020   3.071   6.643
   50    H    ASP   7           HN       ASP   7 -15.591   2.243  -1.305
   51    HA   ASP   7           HA       ASP   7 -14.307  -0.056  -2.391
   52   1HB   ASP   7          HB2       ASP   7 -15.217   2.644  -3.321
   53   2HB   ASP   7          HB1       ASP   7 -14.221   1.688  -4.411
   54    H    ILE   8           HN       ILE   8 -13.088   3.229  -1.718
   55    HA   ILE   8           HA       ILE   8 -10.485   2.868  -2.912
   56    HB   ILE   8           HB       ILE   8 -11.622   4.720  -0.794
   57   1HG1  ILE   8          HG12      ILE   8 -12.559   4.947  -3.071
   58   2HG1  ILE   8          HG11      ILE   8 -11.590   6.356  -2.648
   59   1HG2  ILE   8          HG21      ILE   8  -9.505   6.100  -1.621
   60   2HG2  ILE   8          HG22      ILE   8  -8.858   4.488  -1.928
   61   3HG2  ILE   8          HG23      ILE   8  -9.368   4.940  -0.300
   62   1HD1  ILE   8          HD11      ILE   8 -10.766   5.900  -4.771
   63   2HD1  ILE   8          HD12      ILE   8 -10.993   4.160  -4.599
   64   3HD1  ILE   8          HD13      ILE   8  -9.647   4.958  -3.788
   65    H    TRP   9           HN       TRP   9 -11.767   2.308   0.374
   66    HA   TRP   9           HA       TRP   9  -9.349   1.866   1.778
   67   1HB   TRP   9          HB2       TRP   9 -11.643   2.010   2.738
   68   2HB   TRP   9          HB1       TRP   9 -12.015   0.433   2.042
   69    HD1  TRP   9           HD1      TRP   9 -12.015  -1.245   3.954
   70    HE1  TRP   9           HE1      TRP   9 -10.435  -1.809   5.911
   71    HE3  TRP   9           HE3      TRP   9  -8.584   2.505   3.435
   72    HZ2  TRP   9           HZ2      TRP   9  -8.035  -0.805   7.099
   73    HZ3  TRP   9           HZ3      TRP   9  -6.664   2.676   4.990
   74    HH2  TRP   9           HH2      TRP   9  -6.385   1.027   6.820
   75    H    ASP  10           HN       ASP  10 -11.225  -0.387  -0.267
   76    HA   ASP  10           HA       ASP  10  -9.663  -2.742   0.268
   77   1HB   ASP  10          HB2       ASP  10 -11.937  -2.584  -0.816
   78   2HB   ASP  10          HB1       ASP  10 -11.151  -1.938  -2.257
   79    H    TRP  11           HN       TRP  11  -9.458  -0.268  -2.325
   80    HA   TRP  11           HA       TRP  11  -7.180  -1.372  -3.674
   81   1HB   TRP  11          HB2       TRP  11  -8.713   0.372  -4.568
   82   2HB   TRP  11          HB1       TRP  11  -8.100   1.511  -3.368
   83    HD1  TRP  11           HD1      TRP  11  -6.741  -0.694  -6.240
   84    HE1  TRP  11           HE1      TRP  11  -4.734   0.524  -7.306
   85    HE3  TRP  11           HE3      TRP  11  -6.454   3.380  -3.177
   86    HZ2  TRP  11           HZ2      TRP  11  -3.209   2.913  -6.911
   87    HZ3  TRP  11           HZ3      TRP  11  -4.717   5.109  -3.543
   88    HH2  TRP  11           HH2      TRP  11  -3.095   4.881  -5.404
   89    H    ILE  12           HN       ILE  12  -7.498   0.841  -0.897
   90    HA   ILE  12           HA       ILE  12  -4.763   1.618  -0.629
   91    HB   ILE  12           HB       ILE  12  -7.133   1.279   1.211
   92   1HG1  ILE  12          HG12      ILE  12  -5.469   3.719   0.529
   93   2HG1  ILE  12          HG11      ILE  12  -6.865   3.209  -0.421
   94   1HG2  ILE  12          HG21      ILE  12  -4.313   2.056   2.015
   95   2HG2  ILE  12          HG22      ILE  12  -5.281   0.732   2.664
   96   3HG2  ILE  12          HG23      ILE  12  -5.737   2.403   2.996
   97   1HD1  ILE  12          HD11      ILE  12  -8.318   3.416   1.531
   98   2HD1  ILE  12          HD12      ILE  12  -7.453   4.933   1.282
   99   3HD1  ILE  12          HD13      ILE  12  -6.935   3.819   2.549
  100    H    CYS  13           HN       CYS  13  -6.516  -1.300   0.385
  101    HA   CYS  13           HA       CYS  13  -4.441  -2.483   1.990
  102   1HB   CYS  13          HB2       CYS  13  -6.868  -3.114   1.911
  103   2HB   CYS  13          HB1       CYS  13  -6.609  -3.784   0.301
  104    HG   CYS  13           HG       CYS  13  -5.124  -5.633   1.311
  105    H    GLU  14           HN       GLU  14  -5.197  -2.605  -1.501
  106    HA   GLU  14           HA       GLU  14  -3.250  -4.575  -2.250
  107   1HB   GLU  14          HB2       GLU  14  -4.819  -2.372  -3.548
  108   2HB   GLU  14          HB1       GLU  14  -3.523  -3.129  -4.467
  109   1HG   GLU  14          HG2       GLU  14  -4.614  -5.149  -4.611
  110   2HG   GLU  14          HG1       GLU  14  -5.404  -4.949  -3.046
  111    H    VAL  15           HN       VAL  15  -3.149  -1.021  -2.162
  112    HA   VAL  15           HA       VAL  15  -0.446  -0.689  -3.070
  113    HB   VAL  15           HB       VAL  15  -2.217   0.986  -1.251
  114   1HG1  VAL  15          HG11      VAL  15   0.474   1.456  -2.477
  115   2HG1  VAL  15          HG12      VAL  15  -0.158   1.994  -0.921
  116   3HG1  VAL  15          HG13      VAL  15  -0.655   2.809  -2.404
  117   1HG2  VAL  15          HG21      VAL  15  -2.677   2.242  -3.347
  118   2HG2  VAL  15          HG22      VAL  15  -3.195   0.562  -3.471
  119   3HG2  VAL  15          HG23      VAL  15  -1.697   1.082  -4.243
  120    H    LEU  16           HN       LEU  16  -1.833  -1.449   0.089
  121    HA   LEU  16           HA       LEU  16   0.384  -0.855   1.779
  122   1HB   LEU  16          HB2       LEU  16  -2.103  -1.618   2.201
  123   2HB   LEU  16          HB1       LEU  16  -1.423  -3.241   2.153
  124    HG   LEU  16           HG       LEU  16  -1.573  -2.221   4.464
  125   1HD1  LEU  16          HD11      LEU  16   0.177  -3.974   3.550
  126   2HD1  LEU  16          HD12      LEU  16   0.366  -3.290   5.164
  127   3HD1  LEU  16          HD13      LEU  16   1.322  -2.661   3.823
  128   1HD2  LEU  16          HD21      LEU  16   0.842  -0.587   3.732
  129   2HD2  LEU  16          HD22      LEU  16  -0.279  -0.379   5.078
  130   3HD2  LEU  16          HD23      LEU  16  -0.769   0.073   3.446
  131    H    SER  17           HN       SER  17  -0.394  -3.784  -0.126
  132    HA   SER  17           HA       SER  17   1.726  -5.461   0.798
  133   1HB   SER  17          HB2       SER  17  -0.209  -5.314  -1.387
  134   2HB   SER  17          HB1       SER  17   1.315  -6.017  -1.920
  135    HG   SER  17           HG       SER  17  -0.609  -7.110  -0.424
  136    H    ASP  18           HN       ASP  18   1.597  -3.151  -1.935
  137    HA   ASP  18           HA       ASP  18   4.379  -3.528  -2.702
  138   1HB   ASP  18          HB2       ASP  18   2.598  -2.737  -4.231
  139   2HB   ASP  18          HB1       ASP  18   2.389  -1.293  -3.239
  140    H    PHE  19           HN       PHE  19   2.621  -1.317  -0.551
  141    HA   PHE  19           HA       PHE  19   4.610   0.648  -0.075
  142   1HB   PHE  19          HB2       PHE  19   2.132  -0.306   1.047
  143   2HB   PHE  19          HB1       PHE  19   3.266  -0.002   2.359
  144    HD1  PHE  19           HD1      PHE  19   3.126   2.126   3.278
  145    HD2  PHE  19           HD2      PHE  19   2.410   1.618  -0.929
  146    HE1  PHE  19           HE1      PHE  19   2.738   4.564   3.049
  147    HE2  PHE  19           HE2      PHE  19   2.021   4.057  -1.154
  148    HZ   PHE  19           HZ       PHE  19   2.185   5.529   0.833
  149    H    LYS  20           HN       LYS  20   4.225  -2.633   1.214
  150    HA   LYS  20           HA       LYS  20   6.186  -2.576   3.287
  151   1HB   LYS  20          HB2       LYS  20   4.469  -4.340   2.822
  152   2HB   LYS  20          HB1       LYS  20   5.394  -4.823   1.400
  153   1HG   LYS  20          HG2       LYS  20   7.256  -5.519   2.734
  154   2HG   LYS  20          HG1       LYS  20   6.589  -4.758   4.180
  155   1HD   LYS  20          HD2       LYS  20   6.210  -7.177   4.267
  156   2HD   LYS  20          HD1       LYS  20   4.671  -6.334   4.101
  157   1HE   LYS  20          HE2       LYS  20   4.239  -7.375   2.134
  158   2HE   LYS  20          HE1       LYS  20   5.827  -6.922   1.486
  159   1HZ   LYS  20          HZ1       LYS  20   6.826  -8.700   2.795
  160   2HZ   LYS  20          HZ2       LYS  20   5.656  -9.324   1.733
  161   3HZ   LYS  20          HZ3       LYS  20   5.300  -9.151   3.386
  162    H    THR  21           HN       THR  21   6.466  -3.321  -0.206
  163    HA   THR  21           HA       THR  21   9.370  -3.735  -0.054
  164    HB   THR  21           HB       THR  21   8.760  -3.431  -2.710
  165    HG1  THR  21           HG1      THR  21   6.613  -2.991  -2.417
  166   1HG2  THR  21          HG21      THR  21   9.571  -5.449  -1.175
  167   2HG2  THR  21          HG22      THR  21   8.967  -5.723  -2.809
  168   3HG2  THR  21          HG23      THR  21   7.910  -5.985  -1.423
  169    H    TRP  22           HN       TRP  22   7.144  -1.160  -1.092
  170    HA   TRP  22           HA       TRP  22   9.017   0.651  -2.240
  171   1HB   TRP  22          HB2       TRP  22   6.391   0.612  -1.996
  172   2HB   TRP  22          HB1       TRP  22   6.701   1.525  -0.524
  173    HD1  TRP  22           HD1      TRP  22   6.694   1.824  -4.278
  174    HE1  TRP  22           HE1      TRP  22   7.232   4.256  -4.947
  175    HE3  TRP  22           HE3      TRP  22   8.103   3.695   0.259
  176    HZ2  TRP  22           HZ2      TRP  22   8.136   6.675  -3.719
  177    HZ3  TRP  22           HZ3      TRP  22   8.797   6.064   0.482
  178    HH2  TRP  22           HH2      TRP  22   8.815   7.554  -1.500
  179    H    LEU  23           HN       LEU  23   7.809   0.439   1.121
  180    HA   LEU  23           HA       LEU  23   9.488   2.493   2.219
  181   1HB   LEU  23          HB2       LEU  23   7.772   0.255   3.167
  182   2HB   LEU  23          HB1       LEU  23   8.974   0.842   4.316
  183    HG   LEU  23           HG       LEU  23   7.603   3.032   2.948
  184   1HD1  LEU  23          HD11      LEU  23   6.011   0.862   4.258
  185   2HD1  LEU  23          HD12      LEU  23   5.583   1.901   2.899
  186   3HD1  LEU  23          HD13      LEU  23   5.531   2.535   4.543
  187   1HD2  LEU  23          HD21      LEU  23   9.011   3.206   5.000
  188   2HD2  LEU  23          HD22      LEU  23   7.818   2.245   5.873
  189   3HD2  LEU  23          HD23      LEU  23   7.383   3.838   5.252
  190    H    LYS  24           HN       LYS  24   9.989  -1.017   1.772
  191    HA   LYS  24           HA       LYS  24  12.409  -1.230   3.315
  192   1HB   LYS  24          HB2       LYS  24  10.969  -2.769   1.192
  193   2HB   LYS  24          HB1       LYS  24  12.648  -3.204   1.511
  194   1HG   LYS  24          HG2       LYS  24  12.076  -3.375   3.953
  195   2HG   LYS  24          HG1       LYS  24  10.383  -3.122   3.525
  196   1HD   LYS  24          HD2       LYS  24  10.267  -5.158   2.313
  197   2HD   LYS  24          HD1       LYS  24  12.024  -5.315   2.250
  198   1HE   LYS  24          HE2       LYS  24  12.084  -5.647   4.710
  199   2HE   LYS  24          HE1       LYS  24  10.314  -5.521   4.759
  200   1HZ   LYS  24          HZ1       LYS  24  11.261  -7.846   4.549
  201   2HZ   LYS  24          HZ2       LYS  24  11.716  -7.425   2.968
  202   3HZ   LYS  24          HZ3       LYS  24  10.076  -7.417   3.415
  203    H    ALA  25           HN       ALA  25  11.801  -0.456  -0.117
  204    HA   ALA  25           HA       ALA  25  14.553  -0.416  -0.969
  205   1HB   ALA  25          HB1       ALA  25  12.472  -0.530  -2.388
  206   2HB   ALA  25          HB2       ALA  25  13.615   0.704  -2.918
  207   3HB   ALA  25          HB3       ALA  25  12.178   1.168  -2.008
  208    H    LYS  26           HN       LYS  26  12.397   2.093   0.374
  209    HA   LYS  26           HA       LYS  26  14.308   4.267   0.059
  210   1HB   LYS  26          HB2       LYS  26  11.722   4.276   0.266
  211   2HB   LYS  26          HB1       LYS  26  11.995   4.122   2.003
  212   1HG   LYS  26          HG2       LYS  26  11.860   6.453   1.685
  213   2HG   LYS  26          HG1       LYS  26  13.596   6.146   1.713
  214   1HD   LYS  26          HD2       LYS  26  13.689   6.162  -0.720
  215   2HD   LYS  26          HD1       LYS  26  11.935   6.318  -0.818
  216   1HE   LYS  26          HE2       LYS  26  12.432   8.562  -0.983
  217   2HE   LYS  26          HE1       LYS  26  12.528   8.451   0.786
  218   1HZ   LYS  26          HZ1       LYS  26  14.806   7.962  -1.067
  219   2HZ   LYS  26          HZ2       LYS  26  14.869   7.965   0.632
  220   3HZ   LYS  26          HZ3       LYS  26  14.558   9.407  -0.214
  221    H    LEU  27           HN       LEU  27  13.728   1.801   2.486
  222    HA   LEU  27           HA       LEU  27  14.853   2.995   4.803
  223   1HB   LEU  27          HB2       LEU  27  13.739   0.602   4.088
  224   2HB   LEU  27          HB1       LEU  27  15.427   0.133   4.286
  225    HG   LEU  27           HG       LEU  27  14.289   1.884   6.403
  226   1HD1  LEU  27          HD11      LEU  27  13.079   0.132   7.497
  227   2HD1  LEU  27          HD12      LEU  27  13.647  -1.073   6.342
  228   3HD1  LEU  27          HD13      LEU  27  12.495   0.162   5.834
  229   1HD2  LEU  27          HD21      LEU  27  15.687   0.443   7.813
  230   2HD2  LEU  27          HD22      LEU  27  16.619   1.007   6.426
  231   3HD2  LEU  27          HD23      LEU  27  15.980  -0.637   6.451
  232    H    MET  28           HN       MET  28  16.450   1.271   2.104
  233    HA   MET  28           HA       MET  28  19.095   1.239   3.231
  234   1HB   MET  28          HB2       MET  28  18.235  -0.124   1.309
  235   2HB   MET  28          HB1       MET  28  18.206   1.342   0.328
  236   1HG   MET  28          HG2       MET  28  20.346   0.866  -0.222
  237   2HG   MET  28          HG1       MET  28  20.769   1.335   1.424
  238   1HE   MET  28          HE1       MET  28  20.119  -0.722   3.492
  239   2HE   MET  28          HE2       MET  28  21.632   0.076   3.069
  240   3HE   MET  28          HE3       MET  28  21.601  -1.670   3.303
  241    HA   PRO  29           HA       PRO  29  19.734   5.658   2.827
  242   1HB   PRO  29          HB2       PRO  29  22.275   5.678   3.852
  243   2HB   PRO  29          HB1       PRO  29  20.819   5.594   4.859
  244   1HG   PRO  29          HG2       PRO  29  22.672   3.419   4.022
  245   2HG   PRO  29          HG1       PRO  29  21.861   3.674   5.576
  246   1HD   PRO  29          HD2       PRO  29  21.009   1.872   3.721
  247   2HD   PRO  29          HD1       PRO  29  19.924   2.671   4.878
  248    H    GLN  30           HN       GLN  30  21.725   6.981   1.926
  249    HA   GLN  30           HA       GLN  30  23.257   5.538  -0.163
  250   1HB   GLN  30          HB2       GLN  30  22.313   7.109  -1.908
  251   2HB   GLN  30          HB1       GLN  30  21.134   5.975  -1.253
  252   1HG   GLN  30          HG2       GLN  30  21.066   8.240   0.447
  253   2HG   GLN  30          HG1       GLN  30  21.087   8.864  -1.202
  254   1HE2  GLN  30          HE21      GLN  30  19.452   7.671  -2.741
  255   2HE2  GLN  30          HE22      GLN  30  17.946   7.271  -2.068
  256    H    LEU  31           HN       LEU  31  24.918   6.376   1.434
  257    HA   LEU  31           HA       LEU  31  25.539   9.277   0.969
  258   1HB   LEU  31          HB2       LEU  31  25.393   7.556   3.325
  259   2HB   LEU  31          HB1       LEU  31  26.956   8.360   3.207
  260    HG   LEU  31           HG       LEU  31  25.382   9.749   4.478
  261   1HD1  LEU  31          HD11      LEU  31  25.611  11.093   1.796
  262   2HD1  LEU  31          HD12      LEU  31  27.067  10.687   2.704
  263   3HD1  LEU  31          HD13      LEU  31  25.866  11.771   3.404
  264   1HD2  LEU  31          HD21      LEU  31  23.348   8.793   3.255
  265   2HD2  LEU  31          HD22      LEU  31  23.716   9.925   1.955
  266   3HD2  LEU  31          HD23      LEU  31  23.314  10.529   3.562
  Start of MODEL   43
    1   1H    SER   1           HT1      SER   1 -24.221   0.104 -13.502
    2   2H    SER   1           HT2      SER   1 -24.476  -1.037 -12.270
    3   3H    SER   1           HT3      SER   1 -23.771  -1.515 -13.739
    4    HA   SER   1           HA       SER   1 -22.064  -1.341 -12.036
    5   1HB   SER   1          HB2       SER   1 -22.168   0.723 -14.251
    6   2HB   SER   1          HB1       SER   1 -20.701   0.382 -13.338
    7    HG   SER   1           HG       SER   1 -20.786  -0.895 -15.204
    8    H    GLY   2           HN       GLY   2 -20.636   0.484 -10.990
    9   1HA   GLY   2          HA2       GLY   2 -20.692   2.789 -10.029
   10   2HA   GLY   2          HA1       GLY   2 -22.421   2.558  -9.770
   11    H    SER   3           HN       SER   3 -19.485   0.635  -9.022
   12    HA   SER   3           HA       SER   3 -20.604   0.170  -6.284
   13   1HB   SER   3          HB2       SER   3 -18.880  -1.733  -6.387
   14   2HB   SER   3          HB1       SER   3 -20.242  -1.859  -7.495
   15    HG   SER   3           HG       SER   3 -18.871  -1.759  -9.079
   16    H    TRP   4           HN       TRP   4 -19.809   2.221  -5.436
   17    HA   TRP   4           HA       TRP   4 -16.880   2.687  -5.477
   18   1HB   TRP   4          HB2       TRP   4 -19.132   4.285  -5.548
   19   2HB   TRP   4          HB1       TRP   4 -18.634   4.424  -3.861
   20    HD1  TRP   4           HD1      TRP   4 -16.669   4.321  -7.206
   21    HE1  TRP   4           HE1      TRP   4 -14.952   6.242  -7.181
   22    HE3  TRP   4           HE3      TRP   4 -17.737   6.396  -2.664
   23    HZ2  TRP   4           HZ2      TRP   4 -14.140   8.380  -5.461
   24    HZ3  TRP   4           HZ3      TRP   4 -16.479   8.373  -1.857
   25    HH2  TRP   4           HH2      TRP   4 -14.683   9.366  -3.249
   26    H    LEU   5           HN       LEU   5 -16.618   3.885  -2.934
   27    HA   LEU   5           HA       LEU   5 -16.220   3.423  -0.666
   28   1HB   LEU   5          HB2       LEU   5 -18.317   1.273  -1.131
   29   2HB   LEU   5          HB1       LEU   5 -17.783   1.872   0.436
   30    HG   LEU   5           HG       LEU   5 -18.721   3.913  -1.522
   31   1HD1  LEU   5          HD11      LEU   5 -20.577   2.000  -0.074
   32   2HD1  LEU   5          HD12      LEU   5 -20.414   2.176  -1.821
   33   3HD1  LEU   5          HD13      LEU   5 -21.089   3.493  -0.861
   34   1HD2  LEU   5          HD21      LEU   5 -17.929   4.496   0.751
   35   2HD2  LEU   5          HD22      LEU   5 -19.174   3.456   1.446
   36   3HD2  LEU   5          HD23      LEU   5 -19.633   4.902   0.546
   37    H    ARG   6           HN       ARG   6 -16.792   0.178  -2.149
   38    HA   ARG   6           HA       ARG   6 -14.679  -1.127  -0.729
   39   1HB   ARG   6          HB2       ARG   6 -16.646  -2.122  -2.005
   40   2HB   ARG   6          HB1       ARG   6 -15.740  -1.808  -3.487
   41   1HG   ARG   6          HG2       ARG   6 -14.247  -3.491  -3.092
   42   2HG   ARG   6          HG1       ARG   6 -14.227  -3.199  -1.353
   43   1HD   ARG   6          HD2       ARG   6 -15.351  -5.240  -1.403
   44   2HD   ARG   6          HD1       ARG   6 -16.734  -4.138  -1.545
   45    HE   ARG   6           HE       ARG   6 -15.639  -4.635  -4.154
   46   1HH1  ARG   6          HH11      ARG   6 -18.566  -4.730  -3.398
   47   2HH1  ARG   6          HH12      ARG   6 -18.939  -6.404  -3.647
   48   1HH2  ARG   6          HH21      ARG   6 -15.610  -7.405  -3.706
   49   2HH2  ARG   6          HH22      ARG   6 -17.259  -7.924  -3.824
   50    H    ASP   7           HN       ASP   7 -14.725   0.512  -3.904
   51    HA   ASP   7           HA       ASP   7 -12.129  -0.188  -4.825
   52   1HB   ASP   7          HB2       ASP   7 -14.059   1.055  -5.979
   53   2HB   ASP   7          HB1       ASP   7 -13.485   2.504  -5.155
   54    H    ILE   8           HN       ILE   8 -13.179   2.271  -2.490
   55    HA   ILE   8           HA       ILE   8 -10.571   3.567  -2.268
   56    HB   ILE   8           HB       ILE   8 -13.062   3.560  -0.524
   57   1HG1  ILE   8          HG12      ILE   8 -12.258   5.884  -2.212
   58   2HG1  ILE   8          HG11      ILE   8 -12.907   4.478  -3.056
   59   1HG2  ILE   8          HG21      ILE   8 -12.125   5.693   0.376
   60   2HG2  ILE   8          HG22      ILE   8 -10.643   5.394  -0.532
   61   3HG2  ILE   8          HG23      ILE   8 -11.119   4.297   0.764
   62   1HD1  ILE   8          HD11      ILE   8 -14.652   4.726  -0.944
   63   2HD1  ILE   8          HD12      ILE   8 -14.936   5.365  -2.562
   64   3HD1  ILE   8          HD13      ILE   8 -14.274   6.409  -1.306
   65    H    TRP   9           HN       TRP   9 -12.447   1.317  -0.189
   66    HA   TRP   9           HA       TRP   9 -10.447   0.990   1.838
   67   1HB   TRP   9          HB2       TRP   9 -12.901   0.412   1.932
   68   2HB   TRP   9          HB1       TRP   9 -12.560  -0.977   0.900
   69    HD1  TRP   9           HD1      TRP   9 -12.479  -3.070   2.330
   70    HE1  TRP   9           HE1      TRP   9 -11.466  -3.715   4.610
   71    HE3  TRP   9           HE3      TRP   9 -10.622   1.460   3.786
   72    HZ2  TRP   9           HZ2      TRP   9 -10.055  -2.474   6.768
   73    HZ3  TRP   9           HZ3      TRP   9  -9.451   1.699   5.956
   74    HH2  TRP   9           HH2      TRP   9  -9.165  -0.261   7.447
   75    H    ASP  10           HN       ASP  10 -11.138  -0.904  -1.121
   76    HA   ASP  10           HA       ASP  10  -9.216  -2.976  -0.732
   77   1HB   ASP  10          HB2       ASP  10 -11.094  -2.799  -2.434
   78   2HB   ASP  10          HB1       ASP  10 -10.070  -1.691  -3.346
   79    H    TRP  11           HN       TRP  11  -8.910   0.216  -2.331
   80    HA   TRP  11           HA       TRP  11  -6.153  -0.101  -3.123
   81   1HB   TRP  11          HB2       TRP  11  -7.827   1.554  -4.011
   82   2HB   TRP  11          HB1       TRP  11  -7.728   2.417  -2.476
   83    HD1  TRP  11           HD1      TRP  11  -5.567   1.452  -5.501
   84    HE1  TRP  11           HE1      TRP  11  -3.586   3.094  -5.648
   85    HE3  TRP  11           HE3      TRP  11  -6.296   4.099  -1.197
   86    HZ2  TRP  11           HZ2      TRP  11  -2.462   5.252  -4.140
   87    HZ3  TRP  11           HZ3      TRP  11  -4.758   5.940  -0.576
   88    HH2  TRP  11           HH2      TRP  11  -2.844   6.519  -2.042
   89    H    ILE  12           HN       ILE  12  -7.720   1.192  -0.190
   90    HA   ILE  12           HA       ILE  12  -5.408   2.273   1.093
   91    HB   ILE  12           HB       ILE  12  -8.063   1.127   1.972
   92   1HG1  ILE  12          HG12      ILE  12  -6.908   3.900   2.343
   93   2HG1  ILE  12          HG11      ILE  12  -7.755   3.420   0.872
   94   1HG2  ILE  12          HG21      ILE  12  -5.778   2.051   3.727
   95   2HG2  ILE  12          HG22      ILE  12  -6.720   0.565   3.858
   96   3HG2  ILE  12          HG23      ILE  12  -7.455   2.113   4.270
   97   1HD1  ILE  12          HD11      ILE  12  -8.896   3.322   3.682
   98   2HD1  ILE  12          HD12      ILE  12  -9.741   2.812   2.219
   99   3HD1  ILE  12          HD13      ILE  12  -9.308   4.507   2.442
  100    H    CYS  13           HN       CYS  13  -6.714  -1.035   0.960
  101    HA   CYS  13           HA       CYS  13  -4.819  -2.174   2.854
  102   1HB   CYS  13          HB2       CYS  13  -7.106  -3.050   2.219
  103   2HB   CYS  13          HB1       CYS  13  -6.436  -3.502   0.652
  104    HG   CYS  13           HG       CYS  13  -5.327  -4.707   3.323
  105    H    GLU  14           HN       GLU  14  -4.969  -1.866  -0.705
  106    HA   GLU  14           HA       GLU  14  -2.695  -3.489  -1.335
  107   1HB   GLU  14          HB2       GLU  14  -4.597  -1.844  -2.635
  108   2HB   GLU  14          HB1       GLU  14  -3.017  -1.215  -3.098
  109   1HG   GLU  14          HG2       GLU  14  -3.639  -4.171  -3.199
  110   2HG   GLU  14          HG1       GLU  14  -3.989  -3.103  -4.557
  111    H    VAL  15           HN       VAL  15  -3.000  -0.009  -0.664
  112    HA   VAL  15           HA       VAL  15  -0.238   0.692  -1.043
  113    HB   VAL  15           HB       VAL  15  -2.427   1.872   0.709
  114   1HG1  VAL  15          HG11      VAL  15  -0.900   3.985   0.128
  115   2HG1  VAL  15          HG12      VAL  15   0.357   2.748   0.053
  116   3HG1  VAL  15          HG13      VAL  15  -0.571   2.975   1.537
  117   1HG2  VAL  15          HG21      VAL  15  -2.101   1.730  -2.120
  118   2HG2  VAL  15          HG22      VAL  15  -1.783   3.396  -1.641
  119   3HG2  VAL  15          HG23      VAL  15  -3.315   2.634  -1.217
  120    H    LEU  16           HN       LEU  16  -2.043  -0.592   1.735
  121    HA   LEU  16           HA       LEU  16  -0.061  -0.230   3.769
  122   1HB   LEU  16          HB2       LEU  16  -2.596  -1.056   3.720
  123   2HB   LEU  16          HB1       LEU  16  -1.846  -2.648   3.642
  124    HG   LEU  16           HG       LEU  16  -2.340  -1.935   5.979
  125   1HD1  LEU  16          HD11      LEU  16   0.646  -1.919   5.738
  126   2HD1  LEU  16          HD12      LEU  16  -0.244  -3.325   5.155
  127   3HD1  LEU  16          HD13      LEU  16  -0.383  -2.831   6.842
  128   1HD2  LEU  16          HD21      LEU  16  -1.797   0.539   5.362
  129   2HD2  LEU  16          HD22      LEU  16  -0.125   0.090   5.699
  130   3HD2  LEU  16          HD23      LEU  16  -1.347  -0.044   6.963
  131    H    SER  17           HN       SER  17  -0.671  -2.908   1.484
  132    HA   SER  17           HA       SER  17   1.529  -4.572   2.383
  133   1HB   SER  17          HB2       SER  17  -0.352  -5.518   1.197
  134   2HB   SER  17          HB1       SER  17  -0.157  -4.385  -0.136
  135    HG   SER  17           HG       SER  17   1.552  -5.491  -0.845
  136    H    ASP  18           HN       ASP  18   1.102  -2.122  -0.160
  137    HA   ASP  18           HA       ASP  18   3.680  -2.429  -1.408
  138   1HB   ASP  18          HB2       ASP  18   1.751  -1.360  -2.474
  139   2HB   ASP  18          HB1       ASP  18   1.727  -0.112  -1.229
  140    H    PHE  19           HN       PHE  19   2.555  -0.572   1.399
  141    HA   PHE  19           HA       PHE  19   4.592   1.328   1.734
  142   1HB   PHE  19          HB2       PHE  19   2.546   0.029   3.266
  143   2HB   PHE  19          HB1       PHE  19   4.001   0.110   4.254
  144    HD1  PHE  19           HD1      PHE  19   1.990   2.250   1.917
  145    HD2  PHE  19           HD2      PHE  19   4.443   2.073   5.440
  146    HE1  PHE  19           HE1      PHE  19   1.586   4.663   2.320
  147    HE2  PHE  19           HE2      PHE  19   4.038   4.487   5.842
  148    HZ   PHE  19           HZ       PHE  19   2.608   5.781   4.283
  149    H    LYS  20           HN       LYS  20   4.705  -2.162   2.340
  150    HA   LYS  20           HA       LYS  20   7.383  -2.048   3.566
  151   1HB   LYS  20          HB2       LYS  20   5.666  -3.669   4.275
  152   2HB   LYS  20          HB1       LYS  20   5.589  -4.321   2.638
  153   1HG   LYS  20          HG2       LYS  20   8.331  -4.281   3.575
  154   2HG   LYS  20          HG1       LYS  20   7.305  -5.153   4.714
  155   1HD   LYS  20          HD2       LYS  20   6.657  -5.811   1.945
  156   2HD   LYS  20          HD1       LYS  20   8.341  -6.166   2.327
  157   1HE   LYS  20          HE2       LYS  20   6.311  -6.987   4.361
  158   2HE   LYS  20          HE1       LYS  20   6.379  -7.931   2.859
  159   1HZ   LYS  20          HZ1       LYS  20   7.971  -8.806   4.435
  160   2HZ   LYS  20          HZ2       LYS  20   8.678  -7.274   4.634
  161   3HZ   LYS  20          HZ3       LYS  20   8.801  -8.084   3.144
  162    H    THR  21           HN       THR  21   5.932  -2.999   0.443
  163    HA   THR  21           HA       THR  21   8.419  -3.960  -0.719
  164    HB   THR  21           HB       THR  21   5.882  -3.003  -2.084
  165    HG1  THR  21           HG1      THR  21   6.469  -5.610  -1.143
  166   1HG2  THR  21          HG21      THR  21   8.319  -4.392  -2.933
  167   2HG2  THR  21          HG22      THR  21   7.088  -3.586  -3.905
  168   3HG2  THR  21          HG23      THR  21   6.845  -5.251  -3.377
  169    H    TRP  22           HN       TRP  22   6.585  -0.890  -0.966
  170    HA   TRP  22           HA       TRP  22   8.144   0.420  -2.936
  171   1HB   TRP  22          HB2       TRP  22   5.972   1.026  -1.514
  172   2HB   TRP  22          HB1       TRP  22   7.141   1.894  -0.524
  173    HD1  TRP  22           HD1      TRP  22   5.575   1.868  -3.995
  174    HE1  TRP  22           HE1      TRP  22   6.147   4.084  -5.185
  175    HE3  TRP  22           HE3      TRP  22   8.889   3.839  -0.648
  176    HZ2  TRP  22           HZ2      TRP  22   7.792   6.390  -4.768
  177    HZ3  TRP  22           HZ3      TRP  22   9.942   6.042  -1.065
  178    HH2  TRP  22           HH2      TRP  22   9.398   7.319  -3.121
  179    H    LEU  23           HN       LEU  23   8.552   0.472   0.619
  180    HA   LEU  23           HA       LEU  23  11.015   2.003   0.567
  181   1HB   LEU  23          HB2       LEU  23   9.335   0.499   2.520
  182   2HB   LEU  23          HB1       LEU  23  11.013   0.786   2.981
  183    HG   LEU  23           HG       LEU  23  10.580   3.240   2.270
  184   1HD1  LEU  23          HD11      LEU  23   8.468   2.920   1.118
  185   2HD1  LEU  23          HD12      LEU  23   8.172   3.898   2.556
  186   3HD1  LEU  23          HD13      LEU  23   7.751   2.186   2.552
  187   1HD2  LEU  23          HD21      LEU  23   9.825   3.796   4.488
  188   2HD2  LEU  23          HD22      LEU  23  10.803   2.336   4.634
  189   3HD2  LEU  23          HD23      LEU  23   9.044   2.227   4.678
  190    H    LYS  24           HN       LYS  24  10.255  -1.457   0.469
  191    HA   LYS  24           HA       LYS  24  12.958  -2.396   0.991
  192   1HB   LYS  24          HB2       LYS  24  10.885  -3.705   1.359
  193   2HB   LYS  24          HB1       LYS  24  10.558  -3.669  -0.374
  194   1HG   LYS  24          HG2       LYS  24  12.871  -4.762  -0.662
  195   2HG   LYS  24          HG1       LYS  24  12.805  -5.078   1.073
  196   1HD   LYS  24          HD2       LYS  24  10.806  -6.391   0.845
  197   2HD   LYS  24          HD1       LYS  24  10.604  -5.899  -0.837
  198   1HE   LYS  24          HE2       LYS  24  12.639  -7.097  -1.480
  199   2HE   LYS  24          HE1       LYS  24  12.947  -7.526   0.215
  200   1HZ   LYS  24          HZ1       LYS  24  10.579  -8.451   0.165
  201   2HZ   LYS  24          HZ2       LYS  24  11.786  -9.353  -0.619
  202   3HZ   LYS  24          HZ3       LYS  24  10.716  -8.394  -1.525
  203    H    ALA  25           HN       ALA  25  11.017  -1.838  -1.962
  204    HA   ALA  25           HA       ALA  25  12.974  -2.756  -3.857
  205   1HB   ALA  25          HB1       ALA  25  10.575  -2.443  -4.325
  206   2HB   ALA  25          HB2       ALA  25  11.543  -1.476  -5.439
  207   3HB   ALA  25          HB3       ALA  25  10.743  -0.706  -4.068
  208    H    LYS  26           HN       LYS  26  12.585   0.289  -2.122
  209    HA   LYS  26           HA       LYS  26  14.048   2.093  -3.723
  210   1HB   LYS  26          HB2       LYS  26  12.771   2.566  -1.628
  211   2HB   LYS  26          HB1       LYS  26  14.051   1.785  -0.701
  212   1HG   LYS  26          HG2       LYS  26  15.658   3.447  -1.359
  213   2HG   LYS  26          HG1       LYS  26  14.550   4.131  -2.549
  214   1HD   LYS  26          HD2       LYS  26  14.501   5.568  -0.610
  215   2HD   LYS  26          HD1       LYS  26  12.979   4.680  -0.650
  216   1HE   LYS  26          HE2       LYS  26  13.413   3.719   1.359
  217   2HE   LYS  26          HE1       LYS  26  15.018   3.192   0.815
  218   1HZ   LYS  26          HZ1       LYS  26  14.335   5.970   1.631
  219   2HZ   LYS  26          HZ2       LYS  26  15.874   5.395   1.193
  220   3HZ   LYS  26          HZ3       LYS  26  15.133   4.847   2.621
  221    H    LEU  27           HN       LEU  27  15.260  -0.298  -1.351
  222    HA   LEU  27           HA       LEU  27  18.070   0.357  -2.122
  223   1HB   LEU  27          HB2       LEU  27  16.713  -0.289   0.272
  224   2HB   LEU  27          HB1       LEU  27  17.721  -1.688  -0.092
  225    HG   LEU  27           HG       LEU  27  18.775   1.150  -0.145
  226   1HD1  LEU  27          HD11      LEU  27  18.622  -0.857   2.109
  227   2HD1  LEU  27          HD12      LEU  27  18.129   0.837   2.120
  228   3HD1  LEU  27          HD13      LEU  27  19.842   0.416   2.079
  229   1HD2  LEU  27          HD21      LEU  27  20.348  -0.113  -1.277
  230   2HD2  LEU  27          HD22      LEU  27  19.904  -1.604  -0.446
  231   3HD2  LEU  27          HD23      LEU  27  20.896  -0.399   0.374
  232    H    MET  28           HN       MET  28  16.273  -1.104  -3.972
  233    HA   MET  28           HA       MET  28  17.800  -3.678  -4.142
  234   1HB   MET  28          HB2       MET  28  14.983  -3.184  -3.719
  235   2HB   MET  28          HB1       MET  28  15.210  -4.019  -5.255
  236   1HG   MET  28          HG2       MET  28  16.315  -5.847  -4.229
  237   2HG   MET  28          HG1       MET  28  16.599  -4.946  -2.739
  238   1HE   MET  28          HE1       MET  28  14.130  -6.789  -5.017
  239   2HE   MET  28          HE2       MET  28  13.418  -5.178  -5.015
  240   3HE   MET  28          HE3       MET  28  12.552  -6.517  -4.266
  241    HA   PRO  29           HA       PRO  29  18.138  -1.310  -8.084
  242   1HB   PRO  29          HB2       PRO  29  20.769  -1.919  -8.522
  243   2HB   PRO  29          HB1       PRO  29  20.242  -0.548  -7.530
  244   1HG   PRO  29          HG2       PRO  29  21.234  -3.221  -6.691
  245   2HG   PRO  29          HG1       PRO  29  21.504  -1.634  -5.956
  246   1HD   PRO  29          HD2       PRO  29  19.721  -3.483  -5.001
  247   2HD   PRO  29          HD1       PRO  29  19.580  -1.732  -4.733
  248    H    GLN  30           HN       GLN  30  19.206  -2.243 -10.237
  249    HA   GLN  30           HA       GLN  30  18.983  -5.213 -10.382
  250   1HB   GLN  30          HB2       GLN  30  16.985  -3.277 -11.173
  251   2HB   GLN  30          HB1       GLN  30  17.554  -4.156 -12.592
  252   1HG   GLN  30          HG2       GLN  30  17.059  -6.287 -11.548
  253   2HG   GLN  30          HG1       GLN  30  16.668  -5.496 -10.021
  254   1HE2  GLN  30          HE21      GLN  30  15.549  -5.850 -13.407
  255   2HE2  GLN  30          HE22      GLN  30  13.942  -5.405 -13.087
  256    H    LEU  31           HN       LEU  31  19.390  -2.262 -12.403
  257    HA   LEU  31           HA       LEU  31  21.568  -3.694 -13.891
  258   1HB   LEU  31          HB2       LEU  31  19.242  -2.114 -14.643
  259   2HB   LEU  31          HB1       LEU  31  20.714  -1.418 -15.316
  260    HG   LEU  31           HG       LEU  31  19.763  -3.064 -16.870
  261   1HD1  LEU  31          HD11      LEU  31  22.320  -2.816 -16.388
  262   2HD1  LEU  31          HD12      LEU  31  21.765  -4.178 -17.360
  263   3HD1  LEU  31          HD13      LEU  31  22.164  -4.413 -15.658
  264   1HD2  LEU  31          HD21      LEU  31  18.655  -4.425 -15.042
  265   2HD2  LEU  31          HD22      LEU  31  20.238  -5.122 -14.694
  266   3HD2  LEU  31          HD23      LEU  31  19.486  -5.383 -16.268
  Start of MODEL   44
    1   1H    SER   1           HT1      SER   1 -22.441  12.268   0.989
    2   2H    SER   1           HT2      SER   1 -23.174  11.677  -0.424
    3   3H    SER   1           HT3      SER   1 -21.712  12.533  -0.519
    4    HA   SER   1           HA       SER   1 -21.286  10.167  -0.784
    5   1HB   SER   1          HB2       SER   1 -19.867  11.917   0.553
    6   2HB   SER   1          HB1       SER   1 -20.386  11.006   1.969
    7    HG   SER   1           HG       SER   1 -18.461  10.146   1.188
    8    H    GLY   2           HN       GLY   2 -21.098   8.074   0.519
    9   1HA   GLY   2          HA2       GLY   2 -22.890   7.705   2.795
   10   2HA   GLY   2          HA1       GLY   2 -23.522   7.005   1.305
   11    H    SER   3           HN       SER   3 -22.446   5.193   0.385
   12    HA   SER   3           HA       SER   3 -20.622   3.771   2.279
   13   1HB   SER   3          HB2       SER   3 -22.780   2.747   1.522
   14   2HB   SER   3          HB1       SER   3 -22.189   2.797  -0.137
   15    HG   SER   3           HG       SER   3 -20.744   1.260   0.318
   16    H    TRP   4           HN       TRP   4 -19.293   5.782   0.936
   17    HA   TRP   4           HA       TRP   4 -17.932   4.481  -1.394
   18   1HB   TRP   4          HB2       TRP   4 -18.966   7.047  -0.875
   19   2HB   TRP   4          HB1       TRP   4 -17.216   7.241  -0.805
   20    HD1  TRP   4           HD1      TRP   4 -20.058   6.497  -3.178
   21    HE1  TRP   4           HE1      TRP   4 -19.153   6.408  -5.590
   22    HE3  TRP   4           HE3      TRP   4 -15.042   6.636  -2.244
   23    HZ2  TRP   4           HZ2      TRP   4 -16.633   6.399  -6.945
   24    HZ3  TRP   4           HZ3      TRP   4 -13.411   6.586  -4.110
   25    HH2  TRP   4           HH2      TRP   4 -14.201   6.468  -6.457
   26    H    LEU   5           HN       LEU   5 -17.382   3.754   1.449
   27    HA   LEU   5           HA       LEU   5 -14.576   4.779   1.735
   28   1HB   LEU   5          HB2       LEU   5 -16.678   3.761   3.655
   29   2HB   LEU   5          HB1       LEU   5 -14.984   3.889   4.130
   30    HG   LEU   5           HG       LEU   5 -16.445   6.223   2.892
   31   1HD1  LEU   5          HD11      LEU   5 -16.633   6.992   5.351
   32   2HD1  LEU   5          HD12      LEU   5 -16.415   5.290   5.764
   33   3HD1  LEU   5          HD13      LEU   5 -17.796   5.792   4.788
   34   1HD2  LEU   5          HD21      LEU   5 -14.672   7.509   3.877
   35   2HD2  LEU   5          HD22      LEU   5 -13.906   6.126   3.098
   36   3HD2  LEU   5          HD23      LEU   5 -14.131   6.139   4.847
   37    H    ARG   6           HN       ARG   6 -16.594   1.847   1.680
   38    HA   ARG   6           HA       ARG   6 -14.572  -0.066   2.343
   39   1HB   ARG   6          HB2       ARG   6 -17.293   0.011   1.623
   40   2HB   ARG   6          HB1       ARG   6 -16.526  -1.008   0.405
   41   1HG   ARG   6          HG2       ARG   6 -16.934  -2.594   2.040
   42   2HG   ARG   6          HG1       ARG   6 -15.329  -2.058   2.538
   43   1HD   ARG   6          HD2       ARG   6 -16.259  -1.589   4.562
   44   2HD   ARG   6          HD1       ARG   6 -17.083  -0.236   3.764
   45    HE   ARG   6           HE       ARG   6 -18.255  -2.991   3.943
   46   1HH1  ARG   6          HH11      ARG   6 -19.214  -0.681   2.053
   47   2HH1  ARG   6          HH12      ARG   6 -20.608  -0.145   2.930
   48   1HH2  ARG   6          HH21      ARG   6 -19.742  -1.829   5.848
   49   2HH2  ARG   6          HH22      ARG   6 -20.910  -0.801   5.087
   50    H    ASP   7           HN       ASP   7 -15.628   1.224  -0.832
   51    HA   ASP   7           HA       ASP   7 -13.871  -0.388  -2.437
   52   1HB   ASP   7          HB2       ASP   7 -14.548   1.106  -4.194
   53   2HB   ASP   7          HB1       ASP   7 -15.929   0.979  -3.106
   54    H    ILE   8           HN       ILE   8 -13.460   2.795  -0.875
   55    HA   ILE   8           HA       ILE   8 -10.916   3.441  -2.068
   56    HB   ILE   8           HB       ILE   8 -12.364   4.251   0.475
   57   1HG1  ILE   8          HG12      ILE   8 -11.835   5.658  -2.167
   58   2HG1  ILE   8          HG11      ILE   8 -13.374   4.964  -1.660
   59   1HG2  ILE   8          HG21      ILE   8  -9.776   5.346  -0.677
   60   2HG2  ILE   8          HG22      ILE   8  -9.975   4.553   0.885
   61   3HG2  ILE   8          HG23      ILE   8 -10.713   6.128   0.597
   62   1HD1  ILE   8          HD11      ILE   8 -13.505   7.315  -1.197
   63   2HD1  ILE   8          HD12      ILE   8 -11.918   7.315  -0.428
   64   3HD1  ILE   8          HD13      ILE   8 -13.278   6.512   0.358
   65    H    TRP   9           HN       TRP   9 -11.795   1.910   1.055
   66    HA   TRP   9           HA       TRP   9  -9.150   1.473   2.036
   67   1HB   TRP   9          HB2       TRP   9 -11.279   1.271   3.316
   68   2HB   TRP   9          HB1       TRP   9 -11.682  -0.174   2.388
   69    HD1  TRP   9           HD1      TRP   9 -11.293  -2.204   3.859
   70    HE1  TRP   9           HE1      TRP   9  -9.441  -2.994   5.469
   71    HE3  TRP   9           HE3      TRP   9  -8.232   1.886   3.765
   72    HZ2  TRP   9           HZ2      TRP   9  -6.986  -2.022   6.569
   73    HZ3  TRP   9           HZ3      TRP   9  -6.146   1.925   5.101
   74    HH2  TRP   9           HH2      TRP   9  -5.519  -0.021   6.502
   75    H    ASP  10           HN       ASP  10 -11.180  -0.400  -0.196
   76    HA   ASP  10           HA       ASP  10  -9.616  -2.790  -0.341
   77   1HB   ASP  10          HB2       ASP  10 -11.964  -2.261  -1.216
   78   2HB   ASP  10          HB1       ASP  10 -11.177  -1.459  -2.576
   79    H    TRP  11           HN       TRP  11  -9.534   0.184  -2.349
   80    HA   TRP  11           HA       TRP  11  -7.340  -0.624  -4.027
   81   1HB   TRP  11          HB2       TRP  11  -8.873   1.191  -4.598
   82   2HB   TRP  11          HB1       TRP  11  -8.412   2.082  -3.147
   83    HD1  TRP  11           HD1      TRP  11  -6.901   0.845  -6.467
   84    HE1  TRP  11           HE1      TRP  11  -4.940   2.399  -7.091
   85    HE3  TRP  11           HE3      TRP  11  -6.768   3.810  -2.313
   86    HZ2  TRP  11           HZ2      TRP  11  -3.506   4.610  -5.977
   87    HZ3  TRP  11           HZ3      TRP  11  -5.097   5.631  -2.119
   88    HH2  TRP  11           HH2      TRP  11  -3.468   6.033  -3.943
   89    H    ILE  12           HN       ILE  12  -7.503   1.099  -0.910
   90    HA   ILE  12           HA       ILE  12  -4.738   1.814  -0.695
   91    HB   ILE  12           HB       ILE  12  -6.960   1.214   1.280
   92   1HG1  ILE  12          HG12      ILE  12  -5.552   3.811   0.590
   93   2HG1  ILE  12          HG11      ILE  12  -7.023   3.265  -0.213
   94   1HG2  ILE  12          HG21      ILE  12  -5.099   0.766   2.637
   95   2HG2  ILE  12          HG22      ILE  12  -5.326   2.498   2.881
   96   3HG2  ILE  12          HG23      ILE  12  -4.075   1.919   1.782
   97   1HD1  ILE  12          HD11      ILE  12  -8.029   3.058   2.149
   98   2HD1  ILE  12          HD12      ILE  12  -7.788   4.689   1.525
   99   3HD1  ILE  12          HD13      ILE  12  -6.649   4.013   2.689
  100    H    CYS  13           HN       CYS  13  -6.497  -1.192  -0.020
  101    HA   CYS  13           HA       CYS  13  -4.446  -2.598   1.402
  102   1HB   CYS  13          HB2       CYS  13  -6.879  -3.205   1.143
  103   2HB   CYS  13          HB1       CYS  13  -6.540  -3.668  -0.523
  104    HG   CYS  13           HG       CYS  13  -5.017  -5.588   0.346
  105    H    GLU  14           HN       GLU  14  -5.076  -2.144  -2.079
  106    HA   GLU  14           HA       GLU  14  -3.065  -3.998  -3.016
  107   1HB   GLU  14          HB2       GLU  14  -4.884  -1.912  -4.048
  108   2HB   GLU  14          HB1       GLU  14  -3.409  -2.116  -4.990
  109   1HG   GLU  14          HG2       GLU  14  -5.012  -3.638  -5.917
  110   2HG   GLU  14          HG1       GLU  14  -3.885  -4.617  -4.978
  111    H    VAL  15           HN       VAL  15  -3.104  -0.475  -2.502
  112    HA   VAL  15           HA       VAL  15  -0.342  -0.047  -3.282
  113    HB   VAL  15           HB       VAL  15  -2.248   1.564  -1.540
  114   1HG1  VAL  15          HG11      VAL  15  -0.290   2.686  -1.127
  115   2HG1  VAL  15          HG12      VAL  15  -0.623   3.388  -2.709
  116   3HG1  VAL  15          HG13      VAL  15   0.506   2.040  -2.563
  117   1HG2  VAL  15          HG21      VAL  15  -2.394   2.888  -3.770
  118   2HG2  VAL  15          HG22      VAL  15  -3.276   1.365  -3.664
  119   3HG2  VAL  15          HG23      VAL  15  -1.732   1.432  -4.515
  120    H    LEU  16           HN       LEU  16  -1.980  -0.830  -0.238
  121    HA   LEU  16           HA       LEU  16   0.120  -0.278   1.612
  122   1HB   LEU  16          HB2       LEU  16  -2.273  -0.819   2.114
  123   2HB   LEU  16          HB1       LEU  16  -1.966  -2.488   1.638
  124    HG   LEU  16           HG       LEU  16   0.045  -1.677   3.526
  125   1HD1  LEU  16          HD11      LEU  16  -1.535  -1.400   5.491
  126   2HD1  LEU  16          HD12      LEU  16  -2.831  -1.150   4.321
  127   3HD1  LEU  16          HD13      LEU  16  -1.476  -0.023   4.391
  128   1HD2  LEU  16          HD21      LEU  16  -0.805  -3.989   2.988
  129   2HD2  LEU  16          HD22      LEU  16  -2.288  -3.589   3.854
  130   3HD2  LEU  16          HD23      LEU  16  -0.749  -3.637   4.715
  131    H    SER  17           HN       SER  17  -0.551  -3.163  -0.385
  132    HA   SER  17           HA       SER  17   1.461  -4.888   0.706
  133   1HB   SER  17          HB2       SER  17  -0.482  -5.410  -0.872
  134   2HB   SER  17          HB1       SER  17   0.502  -4.740  -2.170
  135    HG   SER  17           HG       SER  17   0.963  -7.020  -0.561
  136    H    ASP  18           HN       ASP  18   1.549  -2.545  -2.000
  137    HA   ASP  18           HA       ASP  18   4.361  -3.023  -2.613
  138   1HB   ASP  18          HB2       ASP  18   2.736  -2.196  -4.269
  139   2HB   ASP  18          HB1       ASP  18   2.446  -0.760  -3.285
  140    H    PHE  19           HN       PHE  19   2.536  -0.686  -0.646
  141    HA   PHE  19           HA       PHE  19   4.498   1.237  -0.054
  142   1HB   PHE  19          HB2       PHE  19   1.962   0.642   0.752
  143   2HB   PHE  19          HB1       PHE  19   2.860   0.216   2.206
  144    HD1  PHE  19           HD1      PHE  19   1.547   2.911   0.205
  145    HD2  PHE  19           HD2      PHE  19   4.483   1.930   3.183
  146    HE1  PHE  19           HE1      PHE  19   1.754   5.312   0.793
  147    HE2  PHE  19           HE2      PHE  19   4.690   4.329   3.770
  148    HZ   PHE  19           HZ       PHE  19   3.325   6.021   2.576
  149    H    LYS  20           HN       LYS  20   3.935  -1.902   1.567
  150    HA   LYS  20           HA       LYS  20   6.042  -1.703   3.496
  151   1HB   LYS  20          HB2       LYS  20   3.999  -3.403   2.988
  152   2HB   LYS  20          HB1       LYS  20   5.328  -4.348   2.318
  153   1HG   LYS  20          HG2       LYS  20   5.376  -5.043   4.537
  154   2HG   LYS  20          HG1       LYS  20   6.526  -3.708   4.582
  155   1HD   LYS  20          HD2       LYS  20   3.667  -3.006   5.016
  156   2HD   LYS  20          HD1       LYS  20   4.461  -3.904   6.309
  157   1HE   LYS  20          HE2       LYS  20   5.408  -1.966   7.005
  158   2HE   LYS  20          HE1       LYS  20   6.298  -1.892   5.472
  159   1HZ   LYS  20          HZ1       LYS  20   4.082  -1.059   4.516
  160   2HZ   LYS  20          HZ2       LYS  20   5.005   0.029   5.438
  161   3HZ   LYS  20          HZ3       LYS  20   3.655  -0.739   6.127
  162    H    THR  21           HN       THR  21   5.987  -3.149   0.211
  163    HA   THR  21           HA       THR  21   8.745  -4.015   0.231
  164    HB   THR  21           HB       THR  21   6.998  -3.237  -2.131
  165    HG1  THR  21           HG1      THR  21   5.802  -4.880  -1.656
  166   1HG2  THR  21          HG21      THR  21   9.405  -3.778  -2.571
  167   2HG2  THR  21          HG22      THR  21   8.284  -4.908  -3.331
  168   3HG2  THR  21          HG23      THR  21   9.134  -5.368  -1.856
  169    H    TRP  22           HN       TRP  22   7.118  -1.042  -0.878
  170    HA   TRP  22           HA       TRP  22   9.298   0.276  -2.129
  171   1HB   TRP  22          HB2       TRP  22   6.763   0.846  -1.852
  172   2HB   TRP  22          HB1       TRP  22   7.262   1.641  -0.364
  173    HD1  TRP  22           HD1      TRP  22   7.406   1.971  -4.129
  174    HE1  TRP  22           HE1      TRP  22   8.425   4.259  -4.741
  175    HE3  TRP  22           HE3      TRP  22   8.974   3.496   0.483
  176    HZ2  TRP  22           HZ2      TRP  22   9.734   6.449  -3.442
  177    HZ3  TRP  22           HZ3      TRP  22  10.101   5.685   0.768
  178    HH2  TRP  22           HH2      TRP  22  10.484   7.161  -1.187
  179    H    LEU  23           HN       LEU  23   8.242   0.343   1.280
  180    HA   LEU  23           HA       LEU  23  10.352   2.048   2.248
  181   1HB   LEU  23          HB2       LEU  23   8.150   0.400   3.265
  182   2HB   LEU  23          HB1       LEU  23   9.533   0.422   4.357
  183    HG   LEU  23           HG       LEU  23   9.456   3.037   3.777
  184   1HD1  LEU  23          HD11      LEU  23   7.159   3.820   3.557
  185   2HD1  LEU  23          HD12      LEU  23   6.557   2.163   3.600
  186   3HD1  LEU  23          HD13      LEU  23   7.518   2.717   2.229
  187   1HD2  LEU  23          HD21      LEU  23   7.416   1.991   5.731
  188   2HD2  LEU  23          HD22      LEU  23   8.529   3.347   5.911
  189   3HD2  LEU  23          HD23      LEU  23   9.134   1.693   6.002
  190    H    LYS  24           HN       LYS  24  10.099  -1.483   1.841
  191    HA   LYS  24           HA       LYS  24  12.428  -2.232   3.336
  192   1HB   LYS  24          HB2       LYS  24  10.422  -3.529   2.109
  193   2HB   LYS  24          HB1       LYS  24  11.640  -3.685   0.843
  194   1HG   LYS  24          HG2       LYS  24  12.373  -5.480   2.017
  195   2HG   LYS  24          HG1       LYS  24  13.078  -4.296   3.116
  196   1HD   LYS  24          HD2       LYS  24  11.384  -4.530   4.684
  197   2HD   LYS  24          HD1       LYS  24  10.198  -5.037   3.480
  198   1HE   LYS  24          HE2       LYS  24  12.586  -6.782   4.118
  199   2HE   LYS  24          HE1       LYS  24  11.103  -6.863   5.090
  200   1HZ   LYS  24          HZ1       LYS  24   9.848  -7.099   2.982
  201   2HZ   LYS  24          HZ2       LYS  24  10.898  -8.400   3.280
  202   3HZ   LYS  24          HZ3       LYS  24  11.320  -7.210   2.145
  203    H    ALA  25           HN       ALA  25  11.991  -1.229  -0.055
  204    HA   ALA  25           HA       ALA  25  14.720  -1.727  -0.887
  205   1HB   ALA  25          HB1       ALA  25  12.872  -1.576  -2.464
  206   2HB   ALA  25          HB2       ALA  25  13.985  -0.248  -2.797
  207   3HB   ALA  25          HB3       ALA  25  12.488   0.057  -1.916
  208    H    LYS  26           HN       LYS  26  12.989   1.155   0.331
  209    HA   LYS  26           HA       LYS  26  15.202   2.992   0.034
  210   1HB   LYS  26          HB2       LYS  26  12.673   3.412   0.319
  211   2HB   LYS  26          HB1       LYS  26  12.941   3.144   2.042
  212   1HG   LYS  26          HG2       LYS  26  14.964   4.935   1.084
  213   2HG   LYS  26          HG1       LYS  26  13.393   5.532   0.547
  214   1HD   LYS  26          HD2       LYS  26  13.542   4.568   3.357
  215   2HD   LYS  26          HD1       LYS  26  14.400   6.067   2.999
  216   1HE   LYS  26          HE2       LYS  26  11.681   5.901   1.831
  217   2HE   LYS  26          HE1       LYS  26  11.734   5.972   3.602
  218   1HZ   LYS  26          HZ1       LYS  26  13.140   7.888   3.506
  219   2HZ   LYS  26          HZ2       LYS  26  11.791   8.193   2.520
  220   3HZ   LYS  26          HZ3       LYS  26  13.282   7.780   1.818
  221    H    LEU  27           HN       LEU  27  13.947   1.112   2.817
  222    HA   LEU  27           HA       LEU  27  15.885   2.031   4.733
  223   1HB   LEU  27          HB2       LEU  27  13.623   0.783   4.996
  224   2HB   LEU  27          HB1       LEU  27  14.562  -0.685   4.718
  225    HG   LEU  27           HG       LEU  27  16.139   0.299   6.573
  226   1HD1  LEU  27          HD11      LEU  27  13.539   1.793   6.986
  227   2HD1  LEU  27          HD12      LEU  27  15.161   2.470   6.840
  228   3HD1  LEU  27          HD13      LEU  27  14.715   1.551   8.277
  229   1HD2  LEU  27          HD21      LEU  27  13.388  -0.822   7.201
  230   2HD2  LEU  27          HD22      LEU  27  14.768  -0.837   8.299
  231   3HD2  LEU  27          HD23      LEU  27  14.821  -1.769   6.803
  232    H    MET  28           HN       MET  28  15.942  -0.562   2.318
  233    HA   MET  28           HA       MET  28  18.722  -1.267   3.206
  234   1HB   MET  28          HB2       MET  28  16.749  -2.939   3.358
  235   2HB   MET  28          HB1       MET  28  16.835  -2.998   1.597
  236   1HG   MET  28          HG2       MET  28  19.372  -3.453   1.958
  237   2HG   MET  28          HG1       MET  28  18.905  -3.857   3.611
  238   1HE   MET  28          HE1       MET  28  16.374  -5.145   3.755
  239   2HE   MET  28          HE2       MET  28  17.813  -5.959   4.362
  240   3HE   MET  28          HE3       MET  28  16.648  -6.854   3.390
  241    HA   PRO  29           HA       PRO  29  18.951   0.549  -1.056
  242   1HB   PRO  29          HB2       PRO  29  20.995   2.289  -0.534
  243   2HB   PRO  29          HB1       PRO  29  19.289   2.695  -0.269
  244   1HG   PRO  29          HG2       PRO  29  21.380   1.934   1.689
  245   2HG   PRO  29          HG1       PRO  29  20.019   3.050   1.864
  246   1HD   PRO  29          HD2       PRO  29  20.098   0.473   2.861
  247   2HD   PRO  29          HD1       PRO  29  18.619   1.411   2.569
  248    H    GLN  30           HN       GLN  30  21.379   1.025  -2.158
  249    HA   GLN  30           HA       GLN  30  22.715  -1.604  -2.051
  250   1HB   GLN  30          HB2       GLN  30  22.077  -0.042  -4.078
  251   2HB   GLN  30          HB1       GLN  30  23.593   0.768  -3.687
  252   1HG   GLN  30          HG2       GLN  30  24.834  -0.921  -4.535
  253   2HG   GLN  30          HG1       GLN  30  23.858  -2.149  -3.729
  254   1HE2  GLN  30          HE21      GLN  30  23.097  -3.548  -5.337
  255   2HE2  GLN  30          HE22      GLN  30  22.423  -3.049  -6.813
  256    H    LEU  31           HN       LEU  31  23.189  -0.616   0.394
  257    HA   LEU  31           HA       LEU  31  26.082  -0.040   0.389
  258   1HB   LEU  31          HB2       LEU  31  24.692   2.132   0.136
  259   2HB   LEU  31          HB1       LEU  31  24.201   1.856   1.807
  260    HG   LEU  31           HG       LEU  31  26.861   1.524   2.087
  261   1HD1  LEU  31          HD11      LEU  31  27.344   1.960  -0.280
  262   2HD1  LEU  31          HD12      LEU  31  28.010   3.250   0.720
  263   3HD1  LEU  31          HD13      LEU  31  26.516   3.514  -0.179
  264   1HD2  LEU  31          HD21      LEU  31  25.490   3.077   3.390
  265   2HD2  LEU  31          HD22      LEU  31  25.368   4.167   2.009
  266   3HD2  LEU  31          HD23      LEU  31  26.924   3.917   2.801
  Start of MODEL   45
    1   1H    SER   1           HT1      SER   1 -24.990  -3.659   0.428
    2   2H    SER   1           HT2      SER   1 -26.634  -3.264   0.261
    3   3H    SER   1           HT3      SER   1 -25.509  -2.063   0.684
    4    HA   SER   1           HA       SER   1 -25.767  -3.453  -1.934
    5   1HB   SER   1          HB2       SER   1 -26.060  -0.999  -2.592
    6   2HB   SER   1          HB1       SER   1 -27.352  -1.679  -1.609
    7    HG   SER   1           HG       SER   1 -26.425   0.437  -0.960
    8    H    GLY   2           HN       GLY   2 -24.002  -0.696  -0.441
    9   1HA   GLY   2          HA2       GLY   2 -21.429  -1.205  -0.370
   10   2HA   GLY   2          HA1       GLY   2 -21.637  -1.417  -2.109
   11    H    SER   3           HN       SER   3 -19.970   0.595  -0.866
   12    HA   SER   3           HA       SER   3 -21.260   3.027  -2.022
   13   1HB   SER   3          HB2       SER   3 -20.673   4.292  -0.014
   14   2HB   SER   3          HB1       SER   3 -21.641   2.896   0.450
   15    HG   SER   3           HG       SER   3 -19.916   2.866   1.795
   16    H    TRP   4           HN       TRP   4 -19.571   4.806  -2.288
   17    HA   TRP   4           HA       TRP   4 -17.295   3.938  -3.745
   18   1HB   TRP   4          HB2       TRP   4 -18.490   6.405  -2.723
   19   2HB   TRP   4          HB1       TRP   4 -16.733   6.494  -2.768
   20    HD1  TRP   4           HD1      TRP   4 -19.691   6.850  -4.918
   21    HE1  TRP   4           HE1      TRP   4 -19.014   6.936  -7.405
   22    HE3  TRP   4           HE3      TRP   4 -14.836   5.301  -4.568
   23    HZ2  TRP   4           HZ2      TRP   4 -16.717   6.418  -9.029
   24    HZ3  TRP   4           HZ3      TRP   4 -13.429   5.106  -6.597
   25    HH2  TRP   4           HH2      TRP   4 -14.362   5.662  -8.825
   26    H    LEU   5           HN       LEU   5 -17.678   4.660  -0.291
   27    HA   LEU   5           HA       LEU   5 -14.923   4.801   0.455
   28   1HB   LEU   5          HB2       LEU   5 -17.414   4.952   1.667
   29   2HB   LEU   5          HB1       LEU   5 -16.738   3.477   2.359
   30    HG   LEU   5           HG       LEU   5 -15.057   5.967   2.202
   31   1HD1  LEU   5          HD11      LEU   5 -15.852   6.635   4.414
   32   2HD1  LEU   5          HD12      LEU   5 -16.975   5.276   4.450
   33   3HD1  LEU   5          HD13      LEU   5 -17.213   6.586   3.293
   34   1HD2  LEU   5          HD21      LEU   5 -15.181   3.656   4.168
   35   2HD2  LEU   5          HD22      LEU   5 -13.960   4.929   4.130
   36   3HD2  LEU   5          HD23      LEU   5 -14.059   3.763   2.812
   37    H    ARG   6           HN       ARG   6 -17.149   2.005   0.207
   38    HA   ARG   6           HA       ARG   6 -15.317   0.000   1.130
   39   1HB   ARG   6          HB2       ARG   6 -17.910   0.039   0.616
   40   2HB   ARG   6          HB1       ARG   6 -17.397  -0.507  -0.981
   41   1HG   ARG   6          HG2       ARG   6 -15.904  -2.101   0.718
   42   2HG   ARG   6          HG1       ARG   6 -17.447  -1.968   1.563
   43   1HD   ARG   6          HD2       ARG   6 -18.554  -3.198  -0.017
   44   2HD   ARG   6          HD1       ARG   6 -17.658  -2.454  -1.357
   45    HE   ARG   6           HE       ARG   6 -16.308  -4.422   0.448
   46   1HH1  ARG   6          HH21      ARG   6 -17.889  -5.701  -1.733
   47   2HH1  ARG   6          HH22      ARG   6 -16.731  -5.820  -3.015
   48   1HH2  ARG   6          HH11      ARG   6 -14.549  -3.511  -1.603
   49   2HH2  ARG   6          HH12      ARG   6 -14.829  -4.574  -2.940
   50    H    ASP   7           HN       ASP   7 -15.693   1.613  -1.982
   51    HA   ASP   7           HA       ASP   7 -14.146  -0.296  -3.542
   52   1HB   ASP   7          HB2       ASP   7 -15.808   1.256  -4.502
   53   2HB   ASP   7          HB1       ASP   7 -14.856   2.633  -3.949
   54    H    ILE   8           HN       ILE   8 -13.442   2.781  -1.878
   55    HA   ILE   8           HA       ILE   8 -10.658   2.908  -2.705
   56    HB   ILE   8           HB       ILE   8 -12.213   4.202  -0.434
   57   1HG1  ILE   8          HG12      ILE   8 -11.397   5.664  -2.906
   58   2HG1  ILE   8          HG11      ILE   8 -12.719   4.507  -3.065
   59   1HG2  ILE   8          HG21      ILE   8  -9.432   4.604  -1.513
   60   2HG2  ILE   8          HG22      ILE   8  -9.977   4.557   0.164
   61   3HG2  ILE   8          HG23      ILE   8 -10.315   5.971  -0.834
   62   1HD1  ILE   8          HD11      ILE   8 -13.979   6.294  -2.394
   63   2HD1  ILE   8          HD12      ILE   8 -12.623   7.078  -1.584
   64   3HD1  ILE   8          HD13      ILE   8 -13.481   5.759  -0.789
   65    H    TRP   9           HN       TRP   9 -12.385   1.416   0.002
   66    HA   TRP   9           HA       TRP   9 -10.295   1.040   1.866
   67   1HB   TRP   9          HB2       TRP   9 -12.895  -0.150   1.178
   68   2HB   TRP   9          HB1       TRP   9 -11.804  -1.278   1.983
   69    HD1  TRP   9           HD1      TRP   9 -14.315   1.168   2.805
   70    HE1  TRP   9           HE1      TRP   9 -14.044   2.059   5.210
   71    HE3  TRP   9           HE3      TRP   9  -9.578  -0.453   3.818
   72    HZ2  TRP   9           HZ2      TRP   9 -12.079   2.080   7.287
   73    HZ3  TRP   9           HZ3      TRP   9  -8.534   0.016   6.017
   74    HH2  TRP   9           HH2      TRP   9  -9.777   1.280   7.751
   75    H    ASP  10           HN       ASP  10 -11.191  -1.068  -0.907
   76    HA   ASP  10           HA       ASP  10  -9.162  -3.052  -0.473
   77   1HB   ASP  10          HB2       ASP  10 -11.040  -3.459  -1.941
   78   2HB   ASP  10          HB1       ASP  10 -10.641  -2.055  -2.930
   79    H    TRP  11           HN       TRP  11  -9.192  -0.058  -2.431
   80    HA   TRP  11           HA       TRP  11  -6.593  -0.282  -3.585
   81   1HB   TRP  11          HB2       TRP  11  -8.328   1.328  -4.269
   82   2HB   TRP  11          HB1       TRP  11  -8.225   2.128  -2.702
   83    HD1  TRP  11           HD1      TRP  11  -6.342   1.690  -5.986
   84    HE1  TRP  11           HE1      TRP  11  -4.483   3.474  -6.123
   85    HE3  TRP  11           HE3      TRP  11  -6.642   3.642  -1.278
   86    HZ2  TRP  11           HZ2      TRP  11  -3.283   5.465  -4.453
   87    HZ3  TRP  11           HZ3      TRP  11  -5.134   5.478  -0.576
   88    HH2  TRP  11           HH2      TRP  11  -3.455   6.391  -2.156
   89    H    ILE  12           HN       ILE  12  -7.657   1.100  -0.465
   90    HA   ILE  12           HA       ILE  12  -5.136   2.143   0.399
   91    HB   ILE  12           HB       ILE  12  -7.549   1.016   1.864
   92   1HG1  ILE  12          HG12      ILE  12  -6.745   3.912   1.681
   93   2HG1  ILE  12          HG11      ILE  12  -7.587   3.154   0.329
   94   1HG2  ILE  12          HG21      ILE  12  -5.679   0.933   3.405
   95   2HG2  ILE  12          HG22      ILE  12  -6.665   2.335   3.821
   96   3HG2  ILE  12          HG23      ILE  12  -5.158   2.550   2.930
   97   1HD1  ILE  12          HD11      ILE  12  -9.522   2.760   1.580
   98   2HD1  ILE  12          HD12      ILE  12  -8.987   4.313   2.219
   99   3HD1  ILE  12          HD13      ILE  12  -8.662   2.830   3.118
  100    H    CYS  13           HN       CYS  13  -6.571  -1.107   0.624
  101    HA   CYS  13           HA       CYS  13  -4.519  -2.281   2.286
  102   1HB   CYS  13          HB2       CYS  13  -6.883  -3.103   1.793
  103   2HB   CYS  13          HB1       CYS  13  -6.287  -3.621   0.216
  104    HG   CYS  13           HG       CYS  13  -4.717  -5.323   1.387
  105    H    GLU  14           HN       GLU  14  -4.982  -2.015  -1.250
  106    HA   GLU  14           HA       GLU  14  -2.765  -3.643  -2.047
  107   1HB   GLU  14          HB2       GLU  14  -4.733  -1.840  -3.179
  108   2HB   GLU  14          HB1       GLU  14  -3.163  -1.583  -3.935
  109   1HG   GLU  14          HG2       GLU  14  -3.990  -3.311  -5.250
  110   2HG   GLU  14          HG1       GLU  14  -3.120  -4.227  -4.020
  111    H    VAL  15           HN       VAL  15  -3.040  -0.173  -1.342
  112    HA   VAL  15           HA       VAL  15  -0.367   0.579  -2.081
  113    HB   VAL  15           HB       VAL  15  -2.341   1.709  -0.062
  114   1HG1  VAL  15          HG11      VAL  15  -0.416   2.821   0.573
  115   2HG1  VAL  15          HG12      VAL  15  -0.904   3.848  -0.775
  116   3HG1  VAL  15          HG13      VAL  15   0.346   2.625  -1.005
  117   1HG2  VAL  15          HG21      VAL  15  -1.821   3.104  -2.611
  118   2HG2  VAL  15          HG22      VAL  15  -3.354   2.759  -1.811
  119   3HG2  VAL  15          HG23      VAL  15  -2.578   1.522  -2.799
  120    H    LEU  16           HN       LEU  16  -1.782  -0.613   0.970
  121    HA   LEU  16           HA       LEU  16   0.517  -0.286   2.647
  122   1HB   LEU  16          HB2       LEU  16  -1.898  -0.828   3.261
  123   2HB   LEU  16          HB1       LEU  16  -1.575  -2.484   2.747
  124    HG   LEU  16           HG       LEU  16   0.483  -1.452   4.557
  125   1HD1  LEU  16          HD11      LEU  16  -1.557  -0.249   5.418
  126   2HD1  LEU  16          HD12      LEU  16  -0.864  -1.391   6.569
  127   3HD1  LEU  16          HD13      LEU  16  -2.316  -1.821   5.664
  128   1HD2  LEU  16          HD21      LEU  16  -1.397  -3.820   4.802
  129   2HD2  LEU  16          HD22      LEU  16   0.167  -3.617   5.593
  130   3HD2  LEU  16          HD23      LEU  16   0.085  -3.843   3.846
  131    H    SER  17           HN       SER  17  -0.515  -2.934   0.490
  132    HA   SER  17           HA       SER  17   1.537  -4.826   1.151
  133   1HB   SER  17          HB2       SER  17  -0.605  -5.158  -0.180
  134   2HB   SER  17          HB1       SER  17   0.186  -4.348  -1.529
  135    HG   SER  17           HG       SER  17   0.529  -6.523  -1.775
  136    H    ASP  18           HN       ASP  18   1.370  -2.234  -1.309
  137    HA   ASP  18           HA       ASP  18   4.016  -2.727  -2.398
  138   1HB   ASP  18          HB2       ASP  18   2.403  -1.583  -3.748
  139   2HB   ASP  18          HB1       ASP  18   2.029  -0.440  -2.460
  140    H    PHE  19           HN       PHE  19   2.703  -0.366  -0.040
  141    HA   PHE  19           HA       PHE  19   4.973   1.173   0.513
  142   1HB   PHE  19          HB2       PHE  19   2.453   0.473   1.725
  143   2HB   PHE  19          HB1       PHE  19   3.690   0.543   2.975
  144    HD1  PHE  19           HD1      PHE  19   3.932   2.612   4.009
  145    HD2  PHE  19           HD2      PHE  19   2.831   2.465  -0.144
  146    HE1  PHE  19           HE1      PHE  19   3.863   5.090   3.938
  147    HE2  PHE  19           HE2      PHE  19   2.763   4.944  -0.212
  148    HZ   PHE  19           HZ       PHE  19   3.279   6.255   1.829
  149    H    LYS  20           HN       LYS  20   4.228  -2.117   1.637
  150    HA   LYS  20           HA       LYS  20   6.356  -2.374   3.550
  151   1HB   LYS  20          HB2       LYS  20   4.307  -3.822   3.244
  152   2HB   LYS  20          HB1       LYS  20   5.067  -4.498   1.804
  153   1HG   LYS  20          HG2       LYS  20   5.752  -6.043   3.390
  154   2HG   LYS  20          HG1       LYS  20   7.095  -4.902   3.465
  155   1HD   LYS  20          HD2       LYS  20   6.659  -4.645   5.659
  156   2HD   LYS  20          HD1       LYS  20   5.145  -3.863   5.209
  157   1HE   LYS  20          HE2       LYS  20   3.923  -5.649   5.900
  158   2HE   LYS  20          HE1       LYS  20   4.970  -6.785   5.026
  159   1HZ   LYS  20          HZ1       LYS  20   5.560  -5.499   7.644
  160   2HZ   LYS  20          HZ2       LYS  20   6.648  -6.478   6.781
  161   3HZ   LYS  20          HZ3       LYS  20   5.207  -7.138   7.390
  162    H    THR  21           HN       THR  21   6.170  -3.312   0.076
  163    HA   THR  21           HA       THR  21   9.015  -4.072   0.053
  164    HB   THR  21           HB       THR  21   7.128  -5.177  -1.248
  165    HG1  THR  21           HG1      THR  21   9.234  -4.147  -2.841
  166   1HG2  THR  21          HG21      THR  21   7.353  -2.617  -2.856
  167   2HG2  THR  21          HG22      THR  21   5.923  -3.223  -2.022
  168   3HG2  THR  21          HG23      THR  21   6.548  -4.078  -3.430
  169    H    TRP  22           HN       TRP  22   7.067  -1.264  -0.817
  170    HA   TRP  22           HA       TRP  22   8.923   0.135  -2.486
  171   1HB   TRP  22          HB2       TRP  22   6.435   0.560  -1.837
  172   2HB   TRP  22          HB1       TRP  22   7.092   1.402  -0.441
  173    HD1  TRP  22           HD1      TRP  22   6.632   1.706  -4.177
  174    HE1  TRP  22           HE1      TRP  22   7.400   4.047  -4.940
  175    HE3  TRP  22           HE3      TRP  22   8.816   3.364   0.129
  176    HZ2  TRP  22           HZ2      TRP  22   8.762   6.323  -3.864
  177    HZ3  TRP  22           HZ3      TRP  22   9.838   5.618   0.235
  178    HH2  TRP  22           HH2      TRP  22   9.814   7.099  -1.754
  179    H    LEU  23           HN       LEU  23   8.404   0.207   1.043
  180    HA   LEU  23           HA       LEU  23  10.493   2.069   1.691
  181   1HB   LEU  23          HB2       LEU  23   8.848  -0.015   3.085
  182   2HB   LEU  23          HB1       LEU  23  10.241   0.645   3.941
  183    HG   LEU  23           HG       LEU  23   8.211   2.447   2.617
  184   1HD1  LEU  23          HD11      LEU  23   7.058   2.624   4.764
  185   2HD1  LEU  23          HD12      LEU  23   8.179   1.474   5.492
  186   3HD1  LEU  23          HD13      LEU  23   7.055   0.940   4.241
  187   1HD2  LEU  23          HD21      LEU  23  10.361   3.445   3.255
  188   2HD2  LEU  23          HD22      LEU  23  10.198   2.795   4.887
  189   3HD2  LEU  23          HD23      LEU  23   9.086   4.041   4.319
  190    H    LYS  24           HN       LYS  24  10.455  -1.515   1.556
  191    HA   LYS  24           HA       LYS  24  13.183  -1.883   2.419
  192   1HB   LYS  24          HB2       LYS  24  11.201  -3.531   2.296
  193   2HB   LYS  24          HB1       LYS  24  11.590  -3.688   0.584
  194   1HG   LYS  24          HG2       LYS  24  12.747  -5.461   1.730
  195   2HG   LYS  24          HG1       LYS  24  13.958  -4.266   1.271
  196   1HD   LYS  24          HD2       LYS  24  14.589  -4.307   3.445
  197   2HD   LYS  24          HD1       LYS  24  13.133  -3.363   3.753
  198   1HE   LYS  24          HE2       LYS  24  12.467  -6.184   3.546
  199   2HE   LYS  24          HE1       LYS  24  13.710  -5.921   4.784
  200   1HZ   LYS  24          HZ1       LYS  24  11.611  -5.524   5.804
  201   2HZ   LYS  24          HZ2       LYS  24  11.099  -4.525   4.529
  202   3HZ   LYS  24          HZ3       LYS  24  12.337  -4.009   5.573
  203    H    ALA  25           HN       ALA  25  11.683  -1.361  -0.762
  204    HA   ALA  25           HA       ALA  25  13.964  -1.982  -2.395
  205   1HB   ALA  25          HB1       ALA  25  12.704  -0.712  -4.087
  206   2HB   ALA  25          HB2       ALA  25  11.707   0.007  -2.823
  207   3HB   ALA  25          HB3       ALA  25  11.601  -1.722  -3.152
  208    H    LYS  26           HN       LYS  26  12.968   0.969  -0.681
  209    HA   LYS  26           HA       LYS  26  15.117   2.603  -1.847
  210   1HB   LYS  26          HB2       LYS  26  12.669   3.117  -0.834
  211   2HB   LYS  26          HB1       LYS  26  13.633   3.395   0.616
  212   1HG   LYS  26          HG2       LYS  26  14.949   5.075  -0.470
  213   2HG   LYS  26          HG1       LYS  26  14.308   4.645  -2.055
  214   1HD   LYS  26          HD2       LYS  26  13.009   6.508  -1.565
  215   2HD   LYS  26          HD1       LYS  26  11.986   5.221  -0.927
  216   1HE   LYS  26          HE2       LYS  26  12.042   6.728   0.879
  217   2HE   LYS  26          HE1       LYS  26  13.375   5.632   1.295
  218   1HZ   LYS  26          HZ1       LYS  26  14.930   7.099   0.241
  219   2HZ   LYS  26          HZ2       LYS  26  14.019   8.011   1.349
  220   3HZ   LYS  26          HZ3       LYS  26  13.688   8.114  -0.314
  221    H    LEU  27           HN       LEU  27  14.967   0.266   0.626
  222    HA   LEU  27           HA       LEU  27  16.933   1.505   2.434
  223   1HB   LEU  27          HB2       LEU  27  14.893  -0.236   2.745
  224   2HB   LEU  27          HB1       LEU  27  16.205  -1.392   2.520
  225    HG   LEU  27           HG       LEU  27  17.441   0.158   4.280
  226   1HD1  LEU  27          HD11      LEU  27  14.495   0.652   4.808
  227   2HD1  LEU  27          HD12      LEU  27  15.716   1.868   4.425
  228   3HD1  LEU  27          HD13      LEU  27  15.784   1.003   5.961
  229   1HD2  LEU  27          HD21      LEU  27  17.042  -2.152   4.754
  230   2HD2  LEU  27          HD22      LEU  27  15.297  -1.905   4.842
  231   3HD2  LEU  27          HD23      LEU  27  16.344  -1.263   6.107
  232    H    MET  28           HN       MET  28  18.248  -1.200   2.833
  233    HA   MET  28           HA       MET  28  20.171  -2.336   2.098
  234   1HB   MET  28          HB2       MET  28  18.341  -2.612   0.201
  235   2HB   MET  28          HB1       MET  28  19.441  -1.585  -0.719
  236   1HG   MET  28          HG2       MET  28  20.823  -3.738   0.717
  237   2HG   MET  28          HG1       MET  28  19.656  -4.334  -0.462
  238   1HE   MET  28          HE1       MET  28  23.526  -2.110  -0.941
  239   2HE   MET  28          HE2       MET  28  23.434  -3.793  -0.425
  240   3HE   MET  28          HE3       MET  28  22.597  -2.548   0.499
  241    HA   PRO  29           HA       PRO  29  22.371   1.661   1.473
  242   1HB   PRO  29          HB2       PRO  29  24.020   1.415   3.648
  243   2HB   PRO  29          HB1       PRO  29  22.399   2.120   3.736
  244   1HG   PRO  29          HG2       PRO  29  23.333  -0.561   4.567
  245   2HG   PRO  29          HG1       PRO  29  22.067   0.460   5.259
  246   1HD   PRO  29          HD2       PRO  29  21.637  -1.729   3.615
  247   2HD   PRO  29          HD1       PRO  29  20.467  -0.429   3.923
  248    H    GLN  30           HN       GLN  30  24.674  -0.390   3.167
  249    HA   GLN  30           HA       GLN  30  26.263  -0.637   0.658
  250   1HB   GLN  30          HB2       GLN  30  28.095  -1.155   2.255
  251   2HB   GLN  30          HB1       GLN  30  27.298   0.366   2.656
  252   1HG   GLN  30          HG2       GLN  30  26.646  -0.416   4.671
  253   2HG   GLN  30          HG1       GLN  30  25.990  -1.888   3.959
  254   1HE2  GLN  30          HE21      GLN  30  28.285  -0.881   6.139
  255   2HE2  GLN  30          HE22      GLN  30  29.385  -2.166   6.001
  256    H    LEU  31           HN       LEU  31  24.313  -2.539   2.813
  257    HA   LEU  31           HA       LEU  31  25.067  -5.006   1.311
  258   1HB   LEU  31          HB2       LEU  31  25.613  -4.330   4.080
  259   2HB   LEU  31          HB1       LEU  31  24.570  -5.749   3.991
  260    HG   LEU  31           HG       LEU  31  27.020  -5.523   2.247
  261   1HD1  LEU  31          HD11      LEU  31  27.637  -5.200   4.674
  262   2HD1  LEU  31          HD12      LEU  31  28.333  -6.643   3.936
  263   3HD1  LEU  31          HD13      LEU  31  26.934  -6.784   5.002
  264   1HD2  LEU  31          HD21      LEU  31  26.835  -7.958   2.228
  265   2HD2  LEU  31          HD22      LEU  31  25.270  -7.263   1.803
  266   3HD2  LEU  31          HD23      LEU  31  25.541  -7.899   3.426
  Start of MODEL   46
    1   1H    SER   1           HT1      SER   1 -28.338   1.254  -4.936
    2   2H    SER   1           HT2      SER   1 -29.121   2.367  -3.919
    3   3H    SER   1           HT3      SER   1 -27.856   1.404  -3.316
    4    HA   SER   1           HA       SER   1 -27.543   3.468  -5.443
    5   1HB   SER   1          HB2       SER   1 -26.963   3.453  -2.464
    6   2HB   SER   1          HB1       SER   1 -26.471   4.733  -3.568
    7    HG   SER   1           HG       SER   1 -28.408   5.361  -2.737
    8    H    GLY   2           HN       GLY   2 -25.237   3.877  -5.874
    9   1HA   GLY   2          HA2       GLY   2 -23.662   1.449  -5.990
   10   2HA   GLY   2          HA1       GLY   2 -23.117   3.055  -6.478
   11    H    SER   3           HN       SER   3 -21.771   0.942  -4.801
   12    HA   SER   3           HA       SER   3 -21.426   2.502  -2.261
   13   1HB   SER   3          HB2       SER   3 -22.158  -0.080  -2.583
   14   2HB   SER   3          HB1       SER   3 -20.407  -0.282  -2.576
   15    HG   SER   3           HG       SER   3 -21.769  -0.191  -0.486
   16    H    TRP   4           HN       TRP   4 -19.588   3.725  -2.310
   17    HA   TRP   4           HA       TRP   4 -17.273   2.840  -3.984
   18   1HB   TRP   4          HB2       TRP   4 -18.637   5.219  -3.764
   19   2HB   TRP   4          HB1       TRP   4 -17.270   5.497  -2.685
   20    HD1  TRP   4           HD1      TRP   4 -17.476   3.652  -6.093
   21    HE1  TRP   4           HE1      TRP   4 -15.662   4.634  -7.639
   22    HE3  TRP   4           HE3      TRP   4 -15.567   7.265  -3.029
   23    HZ2  TRP   4           HZ2      TRP   4 -13.664   6.682  -7.583
   24    HZ3  TRP   4           HZ3      TRP   4 -13.713   8.717  -3.801
   25    HH2  TRP   4           HH2      TRP   4 -12.760   8.432  -6.072
   26    H    LEU   5           HN       LEU   5 -18.274   2.604  -0.791
   27    HA   LEU   5           HA       LEU   5 -15.956   3.389   0.708
   28   1HB   LEU   5          HB2       LEU   5 -18.423   1.786   1.043
   29   2HB   LEU   5          HB1       LEU   5 -17.100   1.323   2.113
   30    HG   LEU   5           HG       LEU   5 -16.856   3.774   2.712
   31   1HD1  LEU   5          HD11      LEU   5 -17.972   4.791   0.819
   32   2HD1  LEU   5          HD12      LEU   5 -18.915   5.162   2.263
   33   3HD1  LEU   5          HD13      LEU   5 -19.456   3.900   1.156
   34   1HD2  LEU   5          HD21      LEU   5 -18.055   2.132   4.149
   35   2HD2  LEU   5          HD22      LEU   5 -19.552   2.504   3.294
   36   3HD2  LEU   5          HD23      LEU   5 -18.759   3.746   4.263
   37    H    ARG   6           HN       ARG   6 -16.947   0.172  -0.554
   38    HA   ARG   6           HA       ARG   6 -14.578  -1.231   0.273
   39   1HB   ARG   6          HB2       ARG   6 -16.963  -1.961  -0.648
   40   2HB   ARG   6          HB1       ARG   6 -16.125  -1.950  -2.200
   41   1HG   ARG   6          HG2       ARG   6 -14.301  -3.301  -0.753
   42   2HG   ARG   6          HG1       ARG   6 -15.752  -3.752   0.143
   43   1HD   ARG   6          HD2       ARG   6 -16.685  -4.137  -2.359
   44   2HD   ARG   6          HD1       ARG   6 -14.963  -4.452  -2.647
   45    HE   ARG   6           HE       ARG   6 -16.745  -6.119  -1.053
   46   1HH1  ARG   6          HH21      ARG   6 -13.873  -6.258  -2.589
   47   2HH1  ARG   6          HH22      ARG   6 -12.979  -7.053  -1.338
   48   1HH2  ARG   6          HH11      ARG   6 -15.452  -6.616   1.068
   49   2HH2  ARG   6          HH12      ARG   6 -13.880  -7.264   0.737
   50    H    ASP   7           HN       ASP   7 -15.384   0.650  -2.619
   51    HA   ASP   7           HA       ASP   7 -13.183  -0.093  -4.289
   52   1HB   ASP   7          HB2       ASP   7 -15.184   1.116  -5.045
   53   2HB   ASP   7          HB1       ASP   7 -14.772   2.484  -4.012
   54    H    ILE   8           HN       ILE   8 -13.511   2.421  -1.773
   55    HA   ILE   8           HA       ILE   8 -10.810   3.478  -2.204
   56    HB   ILE   8           HB       ILE   8 -12.974   3.855  -0.108
   57   1HG1  ILE   8          HG12      ILE   8 -11.909   5.794  -2.180
   58   2HG1  ILE   8          HG11      ILE   8 -13.271   4.719  -2.495
   59   1HG2  ILE   8          HG21      ILE   8 -11.518   5.936   0.448
   60   2HG2  ILE   8          HG22      ILE   8 -10.208   5.043  -0.326
   61   3HG2  ILE   8          HG23      ILE   8 -11.011   4.376   1.096
   62   1HD1  ILE   8          HD11      ILE   8 -13.783   7.114  -1.628
   63   2HD1  ILE   8          HD12      ILE   8 -13.247   6.501  -0.064
   64   3HD1  ILE   8          HD13      ILE   8 -14.627   5.761  -0.874
   65    H    TRP   9           HN       TRP   9 -12.416   1.487   0.314
   66    HA   TRP   9           HA       TRP   9 -10.175   1.108   2.023
   67   1HB   TRP   9          HB2       TRP   9 -12.597   0.563   2.451
   68   2HB   TRP   9          HB1       TRP   9 -12.419  -0.837   1.393
   69    HD1  TRP   9           HD1      TRP   9 -12.307  -2.881   2.907
   70    HE1  TRP   9           HE1      TRP   9 -10.962  -3.546   5.003
   71    HE3  TRP   9           HE3      TRP   9  -9.902   1.526   3.858
   72    HZ2  TRP   9           HZ2      TRP   9  -9.114  -2.368   6.839
   73    HZ3  TRP   9           HZ3      TRP   9  -8.358   1.724   5.783
   74    HH2  TRP   9           HH2      TRP   9  -7.961  -0.215   7.275
   75    H    ASP  10           HN       ASP  10 -11.255  -0.812  -0.799
   76    HA   ASP  10           HA       ASP  10  -9.336  -2.913  -0.634
   77   1HB   ASP  10          HB2       ASP  10 -11.350  -2.828  -2.093
   78   2HB   ASP  10          HB1       ASP  10 -10.581  -1.570  -3.061
   79    H    TRP  11           HN       TRP  11  -9.154   0.273  -2.260
   80    HA   TRP  11           HA       TRP  11  -6.519  -0.082  -3.377
   81   1HB   TRP  11          HB2       TRP  11  -8.123   1.599  -4.159
   82   2HB   TRP  11          HB1       TRP  11  -8.131   2.368  -2.573
   83    HD1  TRP  11           HD1      TRP  11  -5.876   1.817  -5.621
   84    HE1  TRP  11           HE1      TRP  11  -4.004   3.590  -5.588
   85    HE3  TRP  11           HE3      TRP  11  -6.786   3.977  -1.087
   86    HZ2  TRP  11           HZ2      TRP  11  -3.024   5.653  -3.866
   87    HZ3  TRP  11           HZ3      TRP  11  -5.371   5.842  -0.274
   88    HH2  TRP  11           HH2      TRP  11  -3.492   6.681  -1.657
   89    H    ILE  12           HN       ILE  12  -7.685   1.285  -0.285
   90    HA   ILE  12           HA       ILE  12  -5.187   2.270   0.696
   91    HB   ILE  12           HB       ILE  12  -7.712   1.194   1.987
   92   1HG1  ILE  12          HG12      ILE  12  -6.627   4.019   1.926
   93   2HG1  ILE  12          HG11      ILE  12  -7.642   3.379   0.634
   94   1HG2  ILE  12          HG21      ILE  12  -5.160   2.151   3.240
   95   2HG2  ILE  12          HG22      ILE  12  -6.265   0.886   3.780
   96   3HG2  ILE  12          HG23      ILE  12  -6.691   2.583   4.004
   97   1HD1  ILE  12          HD11      ILE  12  -8.429   3.395   3.562
   98   2HD1  ILE  12          HD12      ILE  12  -9.447   2.933   2.199
   99   3HD1  ILE  12          HD13      ILE  12  -8.940   4.611   2.392
  100    H    CYS  13           HN       CYS  13  -6.630  -0.976   0.734
  101    HA   CYS  13           HA       CYS  13  -4.643  -2.185   2.473
  102   1HB   CYS  13          HB2       CYS  13  -7.008  -2.963   1.966
  103   2HB   CYS  13          HB1       CYS  13  -6.425  -3.473   0.382
  104    HG   CYS  13           HG       CYS  13  -5.374  -4.695   3.067
  105    H    GLU  14           HN       GLU  14  -5.021  -1.870  -1.069
  106    HA   GLU  14           HA       GLU  14  -2.812  -3.563  -1.802
  107   1HB   GLU  14          HB2       GLU  14  -4.818  -1.993  -3.027
  108   2HB   GLU  14          HB1       GLU  14  -3.285  -1.367  -3.632
  109   1HG   GLU  14          HG2       GLU  14  -3.764  -4.337  -3.542
  110   2HG   GLU  14          HG1       GLU  14  -4.406  -3.378  -4.875
  111    H    VAL  15           HN       VAL  15  -3.072  -0.048  -1.304
  112    HA   VAL  15           HA       VAL  15  -0.352   0.622  -1.928
  113    HB   VAL  15           HB       VAL  15  -2.390   1.902  -0.069
  114   1HG1  VAL  15          HG11      VAL  15  -0.432   3.005   0.528
  115   2HG1  VAL  15          HG12      VAL  15  -0.946   3.983  -0.848
  116   3HG1  VAL  15          HG13      VAL  15   0.310   2.762  -1.055
  117   1HG2  VAL  15          HG21      VAL  15  -1.861   3.196  -2.630
  118   2HG2  VAL  15          HG22      VAL  15  -3.401   2.703  -1.926
  119   3HG2  VAL  15          HG23      VAL  15  -2.440   1.545  -2.846
  120    H    LEU  16           HN       LEU  16  -1.914  -0.521   1.051
  121    HA   LEU  16           HA       LEU  16   0.216  -0.009   2.895
  122   1HB   LEU  16          HB2       LEU  16  -2.171  -0.671   3.381
  123   2HB   LEU  16          HB1       LEU  16  -1.774  -2.304   2.847
  124    HG   LEU  16           HG       LEU  16   0.139  -2.203   4.583
  125   1HD1  LEU  16          HD11      LEU  16   0.059   0.203   5.009
  126   2HD1  LEU  16          HD12      LEU  16  -0.345  -0.669   6.489
  127   3HD1  LEU  16          HD13      LEU  16  -1.622   0.080   5.529
  128   1HD2  LEU  16          HD21      LEU  16  -1.370  -2.946   6.363
  129   2HD2  LEU  16          HD22      LEU  16  -1.946  -3.554   4.812
  130   3HD2  LEU  16          HD23      LEU  16  -2.734  -2.166   5.563
  131    H    SER  17           HN       SER  17  -0.578  -2.970   1.028
  132    HA   SER  17           HA       SER  17   1.740  -4.477   1.821
  133   1HB   SER  17          HB2       SER  17  -0.249  -4.533  -0.446
  134   2HB   SER  17          HB1       SER  17   1.111  -5.651  -0.439
  135    HG   SER  17           HG       SER  17  -1.060  -6.137   0.704
  136    H    ASP  18           HN       ASP  18   1.088  -2.249  -0.876
  137    HA   ASP  18           HA       ASP  18   3.574  -2.634  -2.282
  138   1HB   ASP  18          HB2       ASP  18   1.783  -1.625  -3.455
  139   2HB   ASP  18          HB1       ASP  18   1.419  -0.523  -2.131
  140    H    PHE  19           HN       PHE  19   2.546  -0.345   0.272
  141    HA   PHE  19           HA       PHE  19   4.909   1.255   0.373
  142   1HB   PHE  19          HB2       PHE  19   2.481   0.853   1.819
  143   2HB   PHE  19          HB1       PHE  19   3.796   0.804   2.989
  144    HD1  PHE  19           HD1      PHE  19   5.147   2.753   3.458
  145    HD2  PHE  19           HD2      PHE  19   2.143   2.852   0.389
  146    HE1  PHE  19           HE1      PHE  19   5.356   5.220   3.334
  147    HE2  PHE  19           HE2      PHE  19   2.351   5.320   0.265
  148    HZ   PHE  19           HZ       PHE  19   3.957   6.504   1.738
  149    H    LYS  20           HN       LYS  20   4.115  -1.882   1.836
  150    HA   LYS  20           HA       LYS  20   6.382  -2.144   3.562
  151   1HB   LYS  20          HB2       LYS  20   4.156  -3.506   3.258
  152   2HB   LYS  20          HB1       LYS  20   5.097  -4.440   2.094
  153   1HG   LYS  20          HG2       LYS  20   6.324  -3.904   4.768
  154   2HG   LYS  20          HG1       LYS  20   5.035  -5.105   4.677
  155   1HD   LYS  20          HD2       LYS  20   6.479  -5.901   2.555
  156   2HD   LYS  20          HD1       LYS  20   7.776  -5.173   3.503
  157   1HE   LYS  20          HE2       LYS  20   5.842  -7.052   4.853
  158   2HE   LYS  20          HE1       LYS  20   7.189  -7.706   3.903
  159   1HZ   LYS  20          HZ1       LYS  20   7.490  -5.615   5.996
  160   2HZ   LYS  20          HZ2       LYS  20   8.737  -6.412   5.161
  161   3HZ   LYS  20          HZ3       LYS  20   7.769  -7.266   6.264
  162    H    THR  21           HN       THR  21   5.900  -3.128   0.131
  163    HA   THR  21           HA       THR  21   8.670  -4.115  -0.053
  164    HB   THR  21           HB       THR  21   6.676  -5.091  -1.257
  165    HG1  THR  21           HG1      THR  21   8.702  -4.115  -2.984
  166   1HG2  THR  21          HG21      THR  21   5.450  -3.160  -1.934
  167   2HG2  THR  21          HG22      THR  21   6.068  -3.882  -3.419
  168   3HG2  THR  21          HG23      THR  21   6.855  -2.459  -2.737
  169    H    TRP  22           HN       TRP  22   6.936  -1.129  -0.730
  170    HA   TRP  22           HA       TRP  22   8.772   0.115  -2.543
  171   1HB   TRP  22          HB2       TRP  22   6.415   0.802  -1.736
  172   2HB   TRP  22          HB1       TRP  22   7.224   1.486  -0.331
  173    HD1  TRP  22           HD1      TRP  22   6.775   1.982  -4.074
  174    HE1  TRP  22           HE1      TRP  22   7.724   4.287  -4.733
  175    HE3  TRP  22           HE3      TRP  22   9.001   3.311   0.325
  176    HZ2  TRP  22           HZ2      TRP  22   9.230   6.414  -3.550
  177    HZ3  TRP  22           HZ3      TRP  22  10.185   5.479   0.532
  178    HH2  TRP  22           HH2      TRP  22  10.301   7.030  -1.398
  179    H    LEU  23           HN       LEU  23   8.552   0.208   1.017
  180    HA   LEU  23           HA       LEU  23  10.898   1.817   1.464
  181   1HB   LEU  23          HB2       LEU  23   8.978   0.158   2.976
  182   2HB   LEU  23          HB1       LEU  23  10.578   0.247   3.714
  183    HG   LEU  23           HG       LEU  23  10.386   2.808   3.273
  184   1HD1  LEU  23          HD11      LEU  23   8.255   2.378   1.872
  185   2HD1  LEU  23          HD12      LEU  23   8.212   3.711   3.023
  186   3HD1  LEU  23          HD13      LEU  23   7.438   2.178   3.421
  187   1HD2  LEU  23          HD21      LEU  23   8.552   1.545   5.333
  188   2HD2  LEU  23          HD22      LEU  23   9.335   3.121   5.440
  189   3HD2  LEU  23          HD23      LEU  23  10.304   1.648   5.507
  190    H    LYS  24           HN       LYS  24  10.398  -1.686   1.118
  191    HA   LYS  24           HA       LYS  24  13.037  -2.522   1.931
  192   1HB   LYS  24          HB2       LYS  24  10.858  -3.860   1.648
  193   2HB   LYS  24          HB1       LYS  24  11.210  -3.862  -0.081
  194   1HG   LYS  24          HG2       LYS  24  13.608  -4.676   0.831
  195   2HG   LYS  24          HG1       LYS  24  12.594  -5.289   2.139
  196   1HD   LYS  24          HD2       LYS  24  11.345  -6.670   0.689
  197   2HD   LYS  24          HD1       LYS  24  11.867  -5.787  -0.746
  198   1HE   LYS  24          HE2       LYS  24  14.036  -7.036   0.874
  199   2HE   LYS  24          HE1       LYS  24  12.983  -8.143  -0.027
  200   1HZ   LYS  24          HZ1       LYS  24  14.146  -5.699  -1.244
  201   2HZ   LYS  24          HZ2       LYS  24  13.403  -7.007  -2.033
  202   3HZ   LYS  24          HZ3       LYS  24  14.928  -7.202  -1.308
  203    H    ALA  25           HN       ALA  25  11.657  -1.409  -1.141
  204    HA   ALA  25           HA       ALA  25  13.903  -2.163  -2.813
  205   1HB   ALA  25          HB1       ALA  25  11.836   0.023  -3.212
  206   2HB   ALA  25          HB2       ALA  25  11.510  -1.687  -3.496
  207   3HB   ALA  25          HB3       ALA  25  12.718  -0.847  -4.468
  208    H    LYS  26           HN       LYS  26  12.900   0.935  -1.293
  209    HA   LYS  26           HA       LYS  26  15.190   2.427  -2.244
  210   1HB   LYS  26          HB2       LYS  26  14.338   4.135  -0.708
  211   2HB   LYS  26          HB1       LYS  26  12.985   3.371  -1.537
  212   1HG   LYS  26          HG2       LYS  26  12.459   2.029   0.386
  213   2HG   LYS  26          HG1       LYS  26  13.949   2.503   1.200
  214   1HD   LYS  26          HD2       LYS  26  12.232   4.755   0.360
  215   2HD   LYS  26          HD1       LYS  26  11.534   3.719   1.605
  216   1HE   LYS  26          HE2       LYS  26  13.823   3.934   2.806
  217   2HE   LYS  26          HE1       LYS  26  14.105   5.306   1.717
  218   1HZ   LYS  26          HZ1       LYS  26  11.770   4.937   3.522
  219   2HZ   LYS  26          HZ2       LYS  26  11.930   6.199   2.395
  220   3HZ   LYS  26          HZ3       LYS  26  13.007   6.081   3.703
  221    H    LEU  27           HN       LEU  27  14.578   0.483   0.657
  222    HA   LEU  27           HA       LEU  27  17.302   1.180   1.686
  223   1HB   LEU  27          HB2       LEU  27  14.691   0.916   2.823
  224   2HB   LEU  27          HB1       LEU  27  15.703  -0.345   3.516
  225    HG   LEU  27           HG       LEU  27  15.801   1.759   4.835
  226   1HD1  LEU  27          HD11      LEU  27  17.772   0.146   4.568
  227   2HD1  LEU  27          HD12      LEU  27  18.168   1.776   5.111
  228   3HD1  LEU  27          HD13      LEU  27  18.442   1.316   3.431
  229   1HD2  LEU  27          HD21      LEU  27  16.338   3.800   3.925
  230   2HD2  LEU  27          HD22      LEU  27  15.658   3.062   2.475
  231   3HD2  LEU  27          HD23      LEU  27  17.406   3.096   2.711
  232    H    MET  28           HN       MET  28  17.974  -0.374  -0.147
  233    HA   MET  28           HA       MET  28  17.436  -3.225   0.201
  234   1HB   MET  28          HB2       MET  28  19.043  -3.422  -1.664
  235   2HB   MET  28          HB1       MET  28  17.871  -2.149  -1.986
  236   1HG   MET  28          HG2       MET  28  19.536  -0.649  -2.196
  237   2HG   MET  28          HG1       MET  28  20.079  -1.002  -0.557
  238   1HE   MET  28          HE1       MET  28  20.230  -2.639  -4.292
  239   2HE   MET  28          HE2       MET  28  21.884  -2.071  -4.499
  240   3HE   MET  28          HE3       MET  28  20.619  -0.931  -4.049
  241    HA   PRO  29           HA       PRO  29  20.643  -4.081   3.102
  242   1HB   PRO  29          HB2       PRO  29  21.073  -6.725   2.547
  243   2HB   PRO  29          HB1       PRO  29  19.643  -6.135   3.414
  244   1HG   PRO  29          HG2       PRO  29  19.928  -6.969   0.578
  245   2HG   PRO  29          HG1       PRO  29  18.567  -7.187   1.688
  246   1HD   PRO  29          HD2       PRO  29  18.670  -5.272  -0.276
  247   2HD   PRO  29          HD1       PRO  29  17.675  -5.151   1.190
  248    H    GLN  30           HN       GLN  30  22.880  -5.431   3.041
  249    HA   GLN  30           HA       GLN  30  24.328  -4.591   0.545
  250   1HB   GLN  30          HB2       GLN  30  24.697  -3.388   2.793
  251   2HB   GLN  30          HB1       GLN  30  25.481  -4.874   3.328
  252   1HG   GLN  30          HG2       GLN  30  27.331  -4.500   2.061
  253   2HG   GLN  30          HG1       GLN  30  26.388  -3.912   0.691
  254   1HE2  GLN  30          HE21      GLN  30  26.176  -1.637   0.443
  255   2HE2  GLN  30          HE22      GLN  30  26.820  -0.510   1.539
  256    H    LEU  31           HN       LEU  31  25.622  -6.137  -0.440
  257    HA   LEU  31           HA       LEU  31  25.957  -8.777   0.950
  258   1HB   LEU  31          HB2       LEU  31  24.505  -8.046  -1.440
  259   2HB   LEU  31          HB1       LEU  31  25.812  -9.154  -1.859
  260    HG   LEU  31           HG       LEU  31  24.945 -10.467   0.275
  261   1HD1  LEU  31          HD11      LEU  31  23.280  -8.804   0.941
  262   2HD1  LEU  31          HD12      LEU  31  22.463 -10.284   0.440
  263   3HD1  LEU  31          HD13      LEU  31  22.518  -8.895  -0.647
  264   1HD2  LEU  31          HD21      LEU  31  23.410 -10.491  -2.343
  265   2HD2  LEU  31          HD22      LEU  31  23.566 -11.830  -1.206
  266   3HD2  LEU  31          HD23      LEU  31  24.977 -11.263  -2.099
  Start of MODEL   47
    1   1H    SER   1           HT1      SER   1 -24.824   9.736  -3.974
    2   2H    SER   1           HT2      SER   1 -25.462  10.845  -5.092
    3   3H    SER   1           HT3      SER   1 -23.964  10.101  -5.390
    4    HA   SER   1           HA       SER   1 -26.616   8.743  -5.315
    5   1HB   SER   1          HB2       SER   1 -24.653   9.393  -7.538
    6   2HB   SER   1          HB1       SER   1 -26.163   8.510  -7.741
    7    HG   SER   1           HG       SER   1 -26.669  10.590  -8.182
    8    H    GLY   2           HN       GLY   2 -23.204   8.288  -6.390
    9   1HA   GLY   2          HA2       GLY   2 -23.459   5.395  -5.777
   10   2HA   GLY   2          HA1       GLY   2 -22.154   6.137  -6.701
   11    H    SER   3           HN       SER   3 -21.209   4.480  -4.886
   12    HA   SER   3           HA       SER   3 -20.178   6.257  -2.711
   13   1HB   SER   3          HB2       SER   3 -22.147   4.489  -2.240
   14   2HB   SER   3          HB1       SER   3 -20.777   3.390  -2.114
   15    HG   SER   3           HG       SER   3 -21.622   5.349  -0.417
   16    H    TRP   4           HN       TRP   4 -18.040   6.360  -3.409
   17    HA   TRP   4           HA       TRP   4 -16.687   3.808  -4.195
   18   1HB   TRP   4          HB2       TRP   4 -16.810   6.381  -5.308
   19   2HB   TRP   4          HB1       TRP   4 -15.197   6.276  -4.603
   20    HD1  TRP   4           HD1      TRP   4 -17.503   4.134  -6.859
   21    HE1  TRP   4           HE1      TRP   4 -16.022   2.893  -8.566
   22    HE3  TRP   4           HE3      TRP   4 -12.885   5.651  -5.292
   23    HZ2  TRP   4           HZ2      TRP   4 -13.248   2.586  -9.186
   24    HZ3  TRP   4           HZ3      TRP   4 -10.843   4.869  -6.459
   25    HH2  TRP   4           HH2      TRP   4 -11.020   3.340  -8.402
   26    H    LEU   5           HN       LEU   5 -16.910   6.030  -1.582
   27    HA   LEU   5           HA       LEU   5 -14.254   6.129  -0.580
   28   1HB   LEU   5          HB2       LEU   5 -17.026   6.443   0.410
   29   2HB   LEU   5          HB1       LEU   5 -15.846   6.037   1.656
   30    HG   LEU   5           HG       LEU   5 -16.066   8.489   1.377
   31   1HD1  LEU   5          HD11      LEU   5 -13.779   8.928   1.511
   32   2HD1  LEU   5          HD12      LEU   5 -13.380   7.775   0.238
   33   3HD1  LEU   5          HD13      LEU   5 -13.824   7.197   1.845
   34   1HD2  LEU   5          HD21      LEU   5 -15.341   9.560  -0.698
   35   2HD2  LEU   5          HD22      LEU   5 -16.650   8.432  -1.050
   36   3HD2  LEU   5          HD23      LEU   5 -14.982   7.989  -1.414
   37    H    ARG   6           HN       ARG   6 -16.838   3.722   0.070
   38    HA   ARG   6           HA       ARG   6 -15.339   2.035   1.824
   39   1HB   ARG   6          HB2       ARG   6 -17.843   2.079   1.265
   40   2HB   ARG   6          HB1       ARG   6 -17.433   1.161  -0.185
   41   1HG   ARG   6          HG2       ARG   6 -17.611  -0.691   1.096
   42   2HG   ARG   6          HG1       ARG   6 -16.090  -0.196   1.839
   43   1HD   ARG   6          HD2       ARG   6 -18.756   0.859   2.826
   44   2HD   ARG   6          HD1       ARG   6 -18.039  -0.635   3.460
   45    HE   ARG   6           HE       ARG   6 -15.923   0.967   3.737
   46   1HH1  ARG   6          HH11      ARG   6 -17.991   0.634   5.982
   47   2HH1  ARG   6          HH12      ARG   6 -18.265   2.287   6.421
   48   1HH2  ARG   6          HH21      ARG   6 -16.816   3.567   3.532
   49   2HH2  ARG   6          HH22      ARG   6 -17.599   3.953   5.028
   50    H    ASP   7           HN       ASP   7 -15.546   2.175  -1.722
   51    HA   ASP   7           HA       ASP   7 -14.077  -0.246  -2.274
   52   1HB   ASP   7          HB2       ASP   7 -15.497   0.805  -3.931
   53   2HB   ASP   7          HB1       ASP   7 -14.602   2.320  -3.809
   54    H    ILE   8           HN       ILE   8 -13.103   3.169  -1.866
   55    HA   ILE   8           HA       ILE   8 -10.374   2.963  -2.628
   56    HB   ILE   8           HB       ILE   8 -11.860   4.661  -0.602
   57   1HG1  ILE   8          HG12      ILE   8 -12.474   4.940  -2.988
   58   2HG1  ILE   8          HG11      ILE   8 -11.674   6.380  -2.361
   59   1HG2  ILE   8          HG21      ILE   8  -9.675   4.890   0.197
   60   2HG2  ILE   8          HG22      ILE   8  -9.759   6.187  -0.995
   61   3HG2  ILE   8          HG23      ILE   8  -8.960   4.667  -1.399
   62   1HD1  ILE   8          HD11      ILE   8  -9.491   5.217  -3.262
   63   2HD1  ILE   8          HD12      ILE   8 -10.553   6.064  -4.386
   64   3HD1  ILE   8          HD13      ILE   8 -10.622   4.307  -4.266
   65    H    TRP   9           HN       TRP   9 -11.954   2.230   0.496
   66    HA   TRP   9           HA       TRP   9  -9.641   1.818   2.096
   67   1HB   TRP   9          HB2       TRP   9 -12.118   1.852   2.734
   68   2HB   TRP   9          HB1       TRP   9 -12.194   0.183   2.168
   69    HD1  TRP   9           HD1      TRP   9 -11.962  -1.453   4.087
   70    HE1  TRP   9           HE1      TRP   9 -10.627  -1.552   6.290
   71    HE3  TRP   9           HE3      TRP   9  -9.555   3.047   3.866
   72    HZ2  TRP   9           HZ2      TRP   9  -8.784   0.064   7.765
   73    HZ3  TRP   9           HZ3      TRP   9  -8.017   3.741   5.680
   74    HH2  TRP   9           HH2      TRP   9  -7.629   2.256   7.627
   75    H    ASP  10           HN       ASP  10 -11.372  -0.441  -0.069
   76    HA   ASP  10           HA       ASP  10  -9.685  -2.731   0.451
   77   1HB   ASP  10          HB2       ASP  10 -11.980  -2.753  -0.538
   78   2HB   ASP  10          HB1       ASP  10 -11.342  -1.972  -1.984
   79    H    TRP  11           HN       TRP  11  -9.603  -0.085  -1.934
   80    HA   TRP  11           HA       TRP  11  -7.425  -1.075  -3.531
   81   1HB   TRP  11          HB2       TRP  11  -9.058   0.737  -4.118
   82   2HB   TRP  11          HB1       TRP  11  -8.284   1.778  -2.922
   83    HD1  TRP  11           HD1      TRP  11  -7.611   0.048  -6.273
   84    HE1  TRP  11           HE1      TRP  11  -5.617   1.216  -7.416
   85    HE3  TRP  11           HE3      TRP  11  -6.197   3.228  -2.539
   86    HZ2  TRP  11           HZ2      TRP  11  -3.679   3.236  -6.824
   87    HZ3  TRP  11           HZ3      TRP  11  -4.277   4.764  -2.854
   88    HH2  TRP  11           HH2      TRP  11  -3.017   4.771  -4.990
   89    H    ILE  12           HN       ILE  12  -7.550   0.898  -0.563
   90    HA   ILE  12           HA       ILE  12  -4.771   1.622  -0.456
   91    HB   ILE  12           HB       ILE  12  -6.955   1.216   1.613
   92   1HG1  ILE  12          HG12      ILE  12  -5.635   3.803   0.798
   93   2HG1  ILE  12          HG11      ILE  12  -6.929   3.113  -0.182
   94   1HG2  ILE  12          HG21      ILE  12  -4.107   2.176   1.970
   95   2HG2  ILE  12          HG22      ILE  12  -4.941   0.902   2.860
   96   3HG2  ILE  12          HG23      ILE  12  -5.392   2.589   3.105
   97   1HD1  ILE  12          HD11      ILE  12  -8.484   3.213   1.632
   98   2HD1  ILE  12          HD12      ILE  12  -7.668   4.776   1.607
   99   3HD1  ILE  12          HD13      ILE  12  -7.207   3.559   2.798
  100    H    CYS  13           HN       CYS  13  -6.560  -1.257   0.619
  101    HA   CYS  13           HA       CYS  13  -4.354  -2.511   2.022
  102   1HB   CYS  13          HB2       CYS  13  -6.857  -2.941   2.232
  103   2HB   CYS  13          HB1       CYS  13  -6.760  -3.796   0.693
  104    HG   CYS  13           HG       CYS  13  -5.072  -4.714   3.166
  105    H    GLU  14           HN       GLU  14  -5.514  -2.546  -1.339
  106    HA   GLU  14           HA       GLU  14  -3.878  -4.739  -2.261
  107   1HB   GLU  14          HB2       GLU  14  -5.829  -2.931  -3.240
  108   2HB   GLU  14          HB1       GLU  14  -4.414  -2.732  -4.272
  109   1HG   GLU  14          HG2       GLU  14  -5.375  -5.495  -3.573
  110   2HG   GLU  14          HG1       GLU  14  -6.165  -4.589  -4.863
  111    H    VAL  15           HN       VAL  15  -3.384  -1.248  -2.029
  112    HA   VAL  15           HA       VAL  15  -0.773  -1.285  -3.369
  113    HB   VAL  15           HB       VAL  15  -2.185   0.810  -1.673
  114   1HG1  VAL  15          HG11      VAL  15  -0.055   1.683  -1.825
  115   2HG1  VAL  15          HG12      VAL  15  -0.688   2.237  -3.375
  116   3HG1  VAL  15          HG13      VAL  15   0.320   0.791  -3.299
  117   1HG2  VAL  15          HG21      VAL  15  -3.497   0.075  -3.658
  118   2HG2  VAL  15          HG22      VAL  15  -2.116   0.444  -4.688
  119   3HG2  VAL  15          HG23      VAL  15  -2.938   1.739  -3.819
  120    H    LEU  16           HN       LEU  16  -1.940  -1.793  -0.128
  121    HA   LEU  16           HA       LEU  16   0.187  -0.940   1.506
  122   1HB   LEU  16          HB2       LEU  16  -2.088  -1.954   2.079
  123   2HB   LEU  16          HB1       LEU  16  -1.352  -3.532   1.804
  124    HG   LEU  16           HG       LEU  16   0.477  -2.729   3.465
  125   1HD1  LEU  16          HD11      LEU  16  -0.580  -1.133   5.177
  126   2HD1  LEU  16          HD12      LEU  16  -1.749  -0.735   3.918
  127   3HD1  LEU  16          HD13      LEU  16  -0.035  -0.411   3.663
  128   1HD2  LEU  16          HD21      LEU  16  -1.201  -4.491   3.944
  129   2HD2  LEU  16          HD22      LEU  16  -2.351  -3.249   4.438
  130   3HD2  LEU  16          HD23      LEU  16  -0.876  -3.506   5.370
  131    H    SER  17           HN       SER  17  -0.097  -3.994  -0.348
  132    HA   SER  17           HA       SER  17   2.255  -5.280   0.636
  133   1HB   SER  17          HB2       SER  17   2.060  -6.537  -1.531
  134   2HB   SER  17          HB1       SER  17   0.528  -6.405  -0.672
  135    HG   SER  17           HG       SER  17  -0.075  -5.674  -2.578
  136    H    ASP  18           HN       ASP  18   1.799  -3.053  -2.129
  137    HA   ASP  18           HA       ASP  18   4.546  -3.089  -3.020
  138   1HB   ASP  18          HB2       ASP  18   2.696  -2.371  -4.440
  139   2HB   ASP  18          HB1       ASP  18   2.275  -1.091  -3.302
  140    H    PHE  19           HN       PHE  19   2.723  -0.979  -0.784
  141    HA   PHE  19           HA       PHE  19   4.726   0.975  -0.271
  142   1HB   PHE  19          HB2       PHE  19   2.188   0.101   0.748
  143   2HB   PHE  19          HB1       PHE  19   3.274   0.335   2.116
  144    HD1  PHE  19           HD1      PHE  19   4.045   2.524   2.747
  145    HD2  PHE  19           HD2      PHE  19   1.773   1.971  -0.857
  146    HE1  PHE  19           HE1      PHE  19   3.778   4.980   2.539
  147    HE2  PHE  19           HE2      PHE  19   1.505   4.427  -1.064
  148    HZ   PHE  19           HZ       PHE  19   2.506   5.932   0.634
  149    H    LYS  20           HN       LYS  20   4.222  -2.277   1.056
  150    HA   LYS  20           HA       LYS  20   6.163  -2.218   3.160
  151   1HB   LYS  20          HB2       LYS  20   4.377  -3.925   2.786
  152   2HB   LYS  20          HB1       LYS  20   5.250  -4.497   1.365
  153   1HG   LYS  20          HG2       LYS  20   6.916  -4.332   3.787
  154   2HG   LYS  20          HG1       LYS  20   5.584  -5.482   3.919
  155   1HD   LYS  20          HD2       LYS  20   7.456  -5.414   1.539
  156   2HD   LYS  20          HD1       LYS  20   7.752  -6.418   2.958
  157   1HE   LYS  20          HE2       LYS  20   5.182  -7.117   2.473
  158   2HE   LYS  20          HE1       LYS  20   5.702  -6.735   0.820
  159   1HZ   LYS  20          HZ1       LYS  20   7.171  -8.492   2.719
  160   2HZ   LYS  20          HZ2       LYS  20   7.641  -8.134   1.126
  161   3HZ   LYS  20          HZ3       LYS  20   6.231  -9.038   1.416
  162    H    THR  21           HN       THR  21   6.419  -3.104  -0.304
  163    HA   THR  21           HA       THR  21   9.267  -3.741  -0.157
  164    HB   THR  21           HB       THR  21   7.707  -2.959  -2.631
  165    HG1  THR  21           HG1      THR  21   6.399  -4.543  -2.287
  166   1HG2  THR  21          HG21      THR  21   9.076  -4.795  -3.613
  167   2HG2  THR  21          HG22      THR  21   9.859  -5.012  -2.048
  168   3HG2  THR  21          HG23      THR  21  10.064  -3.502  -2.935
  169    H    TRP  22           HN       TRP  22   7.322  -0.924  -1.137
  170    HA   TRP  22           HA       TRP  22   9.376   0.757  -2.162
  171   1HB   TRP  22          HB2       TRP  22   6.767   0.956  -2.013
  172   2HB   TRP  22          HB1       TRP  22   7.076   1.719  -0.459
  173    HD1  TRP  22           HD1      TRP  22   7.647   2.210  -4.206
  174    HE1  TRP  22           HE1      TRP  22   8.261   4.677  -4.629
  175    HE3  TRP  22           HE3      TRP  22   8.082   3.847   0.611
  176    HZ2  TRP  22           HZ2      TRP  22   8.859   7.035  -3.122
  177    HZ3  TRP  22           HZ3      TRP  22   8.674   6.206   1.089
  178    HH2  TRP  22           HH2      TRP  22   9.062   7.801  -0.770
  179    H    LEU  23           HN       LEU  23   8.085   0.471   1.157
  180    HA   LEU  23           HA       LEU  23   9.885   2.347   2.385
  181   1HB   LEU  23          HB2       LEU  23   8.078   0.111   3.256
  182   2HB   LEU  23          HB1       LEU  23   9.174   0.825   4.438
  183    HG   LEU  23           HG       LEU  23   7.387   2.537   2.707
  184   1HD1  LEU  23          HD11      LEU  23   6.760   1.469   5.477
  185   2HD1  LEU  23          HD12      LEU  23   6.004   0.898   3.990
  186   3HD1  LEU  23          HD13      LEU  23   5.757   2.561   4.523
  187   1HD2  LEU  23          HD21      LEU  23   8.603   2.997   5.449
  188   2HD2  LEU  23          HD22      LEU  23   7.787   4.190   4.438
  189   3HD2  LEU  23          HD23      LEU  23   9.346   3.532   3.942
  190    H    LYS  24           HN       LYS  24  10.136  -1.161   1.766
  191    HA   LYS  24           HA       LYS  24  12.425  -1.706   3.395
  192   1HB   LYS  24          HB2       LYS  24  10.921  -2.913   1.165
  193   2HB   LYS  24          HB1       LYS  24  12.619  -3.385   1.207
  194   1HG   LYS  24          HG2       LYS  24  11.785  -3.507   3.882
  195   2HG   LYS  24          HG1       LYS  24  10.447  -4.196   2.962
  196   1HD   LYS  24          HD2       LYS  24  11.920  -5.788   1.886
  197   2HD   LYS  24          HD1       LYS  24  13.341  -5.020   2.596
  198   1HE   LYS  24          HE2       LYS  24  12.495  -5.610   4.871
  199   2HE   LYS  24          HE1       LYS  24  11.136  -6.463   4.115
  200   1HZ   LYS  24          HZ1       LYS  24  13.136  -7.880   4.610
  201   2HZ   LYS  24          HZ2       LYS  24  13.973  -7.001   3.420
  202   3HZ   LYS  24          HZ3       LYS  24  12.607  -7.921   2.999
  203    H    ALA  25           HN       ALA  25  12.183  -0.669  -0.024
  204    HA   ALA  25           HA       ALA  25  15.031  -0.652  -0.524
  205   1HB   ALA  25          HB1       ALA  25  14.350   0.503  -2.565
  206   2HB   ALA  25          HB2       ALA  25  12.793   0.919  -1.846
  207   3HB   ALA  25          HB3       ALA  25  13.174  -0.764  -2.213
  208    H    LYS  26           HN       LYS  26  12.740   1.771   0.697
  209    HA   LYS  26           HA       LYS  26  14.561   4.025   0.531
  210   1HB   LYS  26          HB2       LYS  26  11.915   3.362   1.773
  211   2HB   LYS  26          HB1       LYS  26  12.747   4.820   2.315
  212   1HG   LYS  26          HG2       LYS  26  12.392   4.243  -0.625
  213   2HG   LYS  26          HG1       LYS  26  11.117   5.031   0.305
  214   1HD   LYS  26          HD2       LYS  26  13.902   6.095   0.562
  215   2HD   LYS  26          HD1       LYS  26  13.009   6.457  -0.916
  216   1HE   LYS  26          HE2       LYS  26  11.208   7.491   0.342
  217   2HE   LYS  26          HE1       LYS  26  11.928   6.973   1.879
  218   1HZ   LYS  26          HZ1       LYS  26  13.951   8.221   1.250
  219   2HZ   LYS  26          HZ2       LYS  26  12.595   9.227   1.438
  220   3HZ   LYS  26          HZ3       LYS  26  13.142   8.816  -0.118
  221    H    LEU  27           HN       LEU  27  14.332   1.357   2.726
  222    HA   LEU  27           HA       LEU  27  15.551   2.814   4.995
  223   1HB   LEU  27          HB2       LEU  27  13.989   0.455   4.522
  224   2HB   LEU  27          HB1       LEU  27  15.475  -0.022   5.340
  225    HG   LEU  27           HG       LEU  27  14.856   2.174   6.790
  226   1HD1  LEU  27          HD11      LEU  27  12.464   2.300   7.157
  227   2HD1  LEU  27          HD12      LEU  27  12.180   0.946   6.063
  228   3HD1  LEU  27          HD13      LEU  27  12.761   2.487   5.429
  229   1HD2  LEU  27          HD21      LEU  27  13.771   0.562   8.405
  230   2HD2  LEU  27          HD22      LEU  27  15.319   0.009   7.769
  231   3HD2  LEU  27          HD23      LEU  27  13.815  -0.655   7.130
  232    H    MET  28           HN       MET  28  17.146   2.671   2.531
  233    HA   MET  28           HA       MET  28  19.342   0.801   3.342
  234   1HB   MET  28          HB2       MET  28  18.152   0.678   1.061
  235   2HB   MET  28          HB1       MET  28  18.961   2.200   0.685
  236   1HG   MET  28          HG2       MET  28  21.151   1.142   1.138
  237   2HG   MET  28          HG1       MET  28  20.336  -0.381   1.490
  238   1HE   MET  28          HE1       MET  28  22.168   1.594  -1.022
  239   2HE   MET  28          HE2       MET  28  20.649   2.485  -1.099
  240   3HE   MET  28          HE3       MET  28  21.209   1.588  -2.509
  241    HA   PRO  29           HA       PRO  29  21.254   4.716   4.484
  242   1HB   PRO  29          HB2       PRO  29  23.434   3.601   5.705
  243   2HB   PRO  29          HB1       PRO  29  21.851   3.752   6.489
  244   1HG   PRO  29          HG2       PRO  29  23.115   1.381   5.215
  245   2HG   PRO  29          HG1       PRO  29  22.108   1.478   6.667
  246   1HD   PRO  29          HD2       PRO  29  21.190   0.632   4.236
  247   2HD   PRO  29          HD1       PRO  29  20.158   1.375   5.478
  248    H    GLN  30           HN       GLN  30  23.628   5.526   4.195
  249    HA   GLN  30           HA       GLN  30  24.523   4.743   1.463
  250   1HB   GLN  30          HB2       GLN  30  24.047   7.150   2.708
  251   2HB   GLN  30          HB1       GLN  30  25.798   7.008   2.868
  252   1HG   GLN  30          HG2       GLN  30  25.364   8.123   0.776
  253   2HG   GLN  30          HG1       GLN  30  25.892   6.484   0.395
  254   1HE2  GLN  30          HE21      GLN  30  22.830   8.319   0.972
  255   2HE2  GLN  30          HE22      GLN  30  21.922   7.437  -0.158
  256    H    LEU  31           HN       LEU  31  25.925   5.373   4.705
  257    HA   LEU  31           HA       LEU  31  27.906   4.593   5.714
  258   1HB   LEU  31          HB2       LEU  31  27.229   2.372   3.760
  259   2HB   LEU  31          HB1       LEU  31  28.476   2.223   4.996
  260    HG   LEU  31           HG       LEU  31  25.767   3.159   5.850
  261   1HD1  LEU  31          HD11      LEU  31  26.485   0.328   5.057
  262   2HD1  LEU  31          HD12      LEU  31  25.112   1.289   4.507
  263   3HD1  LEU  31          HD13      LEU  31  25.167   0.700   6.168
  264   1HD2  LEU  31          HD21      LEU  31  26.386   1.976   7.887
  265   2HD2  LEU  31          HD22      LEU  31  27.740   2.992   7.392
  266   3HD2  LEU  31          HD23      LEU  31  27.781   1.255   7.085
  Start of MODEL   48
    1   1H    SER   1           HT1      SER   1 -17.417   5.168  -9.141
    2   2H    SER   1           HT2      SER   1 -17.997   3.672  -8.583
    3   3H    SER   1           HT3      SER   1 -17.838   4.978  -7.509
    4    HA   SER   1           HA       SER   1 -19.548   6.209  -8.785
    5   1HB   SER   1          HB2       SER   1 -20.812   4.668 -10.412
    6   2HB   SER   1          HB1       SER   1 -19.217   5.206 -10.927
    7    HG   SER   1           HG       SER   1 -20.028   2.697  -9.905
    8    H    GLY   2           HN       GLY   2 -21.666   6.103  -7.894
    9   1HA   GLY   2          HA2       GLY   2 -23.356   5.388  -6.431
   10   2HA   GLY   2          HA1       GLY   2 -22.893   3.739  -6.849
   11    H    SER   3           HN       SER   3 -22.438   2.621  -5.016
   12    HA   SER   3           HA       SER   3 -21.426   3.999  -2.610
   13   1HB   SER   3          HB2       SER   3 -23.201   2.136  -2.765
   14   2HB   SER   3          HB1       SER   3 -21.857   1.035  -3.057
   15    HG   SER   3           HG       SER   3 -22.743   1.841  -0.748
   16    H    TRP   4           HN       TRP   4 -19.304   4.623  -3.496
   17    HA   TRP   4           HA       TRP   4 -17.424   2.402  -4.127
   18   1HB   TRP   4          HB2       TRP   4 -17.837   4.727  -5.350
   19   2HB   TRP   4          HB1       TRP   4 -16.703   5.311  -4.132
   20    HD1  TRP   4           HD1      TRP   4 -16.951   2.567  -6.839
   21    HE1  TRP   4           HE1      TRP   4 -14.574   2.072  -7.704
   22    HE3  TRP   4           HE3      TRP   4 -14.235   5.584  -3.738
   23    HZ2  TRP   4           HZ2      TRP   4 -11.877   2.853  -7.154
   24    HZ3  TRP   4           HZ3      TRP   4 -11.768   5.688  -3.932
   25    HH2  TRP   4           HH2      TRP   4 -10.585   4.327  -5.633
   26    H    LEU   5           HN       LEU   5 -18.477   3.564  -1.291
   27    HA   LEU   5           HA       LEU   5 -16.106   4.467   0.082
   28   1HB   LEU   5          HB2       LEU   5 -18.714   4.451   0.643
   29   2HB   LEU   5          HB1       LEU   5 -18.301   2.936   1.446
   30    HG   LEU   5           HG       LEU   5 -16.600   5.358   1.945
   31   1HD1  LEU   5          HD11      LEU   5 -19.188   4.753   3.409
   32   2HD1  LEU   5          HD12      LEU   5 -18.987   6.061   2.241
   33   3HD1  LEU   5          HD13      LEU   5 -18.070   6.074   3.747
   34   1HD2  LEU   5          HD21      LEU   5 -15.707   3.494   3.017
   35   2HD2  LEU   5          HD22      LEU   5 -17.291   2.768   3.298
   36   3HD2  LEU   5          HD23      LEU   5 -16.756   4.128   4.284
   37    H    ARG   6           HN       ARG   6 -17.592   1.243  -0.340
   38    HA   ARG   6           HA       ARG   6 -15.578  -0.137   1.264
   39   1HB   ARG   6          HB2       ARG   6 -18.057  -0.745   0.579
   40   2HB   ARG   6          HB1       ARG   6 -17.288  -1.416  -0.860
   41   1HG   ARG   6          HG2       ARG   6 -15.896  -2.873   0.492
   42   2HG   ARG   6          HG1       ARG   6 -16.484  -2.122   1.977
   43   1HD   ARG   6          HD2       ARG   6 -18.349  -3.490   0.011
   44   2HD   ARG   6          HD1       ARG   6 -17.599  -4.343   1.375
   45    HE   ARG   6           HE       ARG   6 -18.704  -1.944   2.405
   46   1HH1  ARG   6          HH21      ARG   6 -19.409  -4.517   3.624
   47   2HH1  ARG   6          HH22      ARG   6 -21.078  -4.713   3.209
   48   1HH2  ARG   6          HH11      ARG   6 -20.997  -2.334   0.674
   49   2HH2  ARG   6          HH12      ARG   6 -21.982  -3.472   1.532
   50    H    ASP   7           HN       ASP   7 -16.025   0.714  -2.129
   51    HA   ASP   7           HA       ASP   7 -14.053  -0.995  -3.313
   52   1HB   ASP   7          HB2       ASP   7 -15.959   0.772  -4.143
   53   2HB   ASP   7          HB1       ASP   7 -14.502   1.727  -4.411
   54    H    ILE   8           HN       ILE   8 -13.837   2.234  -1.814
   55    HA   ILE   8           HA       ILE   8 -11.145   2.836  -2.595
   56    HB   ILE   8           HB       ILE   8 -13.156   4.196  -1.457
   57   1HG1  ILE   8          HG12      ILE   8 -10.308   4.901  -0.723
   58   2HG1  ILE   8          HG11      ILE   8 -10.886   4.980  -2.387
   59   1HG2  ILE   8          HG21      ILE   8 -11.335   3.727   0.915
   60   2HG2  ILE   8          HG22      ILE   8 -12.840   2.836   0.692
   61   3HG2  ILE   8          HG23      ILE   8 -12.874   4.587   0.879
   62   1HD1  ILE   8          HD11      ILE   8 -12.874   6.348  -1.260
   63   2HD1  ILE   8          HD12      ILE   8 -11.362   7.139  -1.709
   64   3HD1  ILE   8          HD13      ILE   8 -11.644   6.665  -0.035
   65    H    TRP   9           HN       TRP   9 -12.466   0.939   0.098
   66    HA   TRP   9           HA       TRP   9 -10.144   0.757   1.740
   67   1HB   TRP   9          HB2       TRP   9 -12.526   0.034   2.220
   68   2HB   TRP   9          HB1       TRP   9 -12.232  -1.382   1.210
   69    HD1  TRP   9           HD1      TRP   9 -11.900  -3.353   2.783
   70    HE1  TRP   9           HE1      TRP   9 -10.485  -3.812   4.887
   71    HE3  TRP   9           HE3      TRP   9  -9.939   1.298   3.564
   72    HZ2  TRP   9           HZ2      TRP   9  -8.749  -2.395   6.667
   73    HZ3  TRP   9           HZ3      TRP   9  -8.409   1.715   5.468
   74    HH2  TRP   9           HH2      TRP   9  -7.813  -0.124   7.019
   75    H    ASP  10           HN       ASP  10 -11.143  -1.160  -1.094
   76    HA   ASP  10           HA       ASP  10  -9.145  -3.187  -0.999
   77   1HB   ASP  10          HB2       ASP  10 -11.196  -3.053  -2.452
   78   2HB   ASP  10          HB1       ASP  10 -10.377  -1.826  -3.418
   79    H    TRP  11           HN       TRP  11  -9.102  -0.001  -2.653
   80    HA   TRP  11           HA       TRP  11  -6.422  -0.240  -3.688
   81   1HB   TRP  11          HB2       TRP  11  -8.058   1.325  -4.589
   82   2HB   TRP  11          HB1       TRP  11  -8.210   2.126  -3.025
   83    HD1  TRP  11           HD1      TRP  11  -5.743   1.653  -5.920
   84    HE1  TRP  11           HE1      TRP  11  -3.990   3.541  -5.820
   85    HE3  TRP  11           HE3      TRP  11  -7.066   3.852  -1.508
   86    HZ2  TRP  11           HZ2      TRP  11  -3.246   5.699  -4.094
   87    HZ3  TRP  11           HZ3      TRP  11  -5.820   5.818  -0.658
   88    HH2  TRP  11           HH2      TRP  11  -3.914   6.744  -1.944
   89    H    ILE  12           HN       ILE  12  -7.751   1.138  -0.668
   90    HA   ILE  12           HA       ILE  12  -5.368   2.314   0.364
   91    HB   ILE  12           HB       ILE  12  -7.825   1.036   1.601
   92   1HG1  ILE  12          HG12      ILE  12  -6.961   3.936   1.599
   93   2HG1  ILE  12          HG11      ILE  12  -7.871   3.238   0.259
   94   1HG2  ILE  12          HG21      ILE  12  -7.084   2.263   3.712
   95   2HG2  ILE  12          HG22      ILE  12  -5.493   2.405   2.964
   96   3HG2  ILE  12          HG23      ILE  12  -6.163   0.812   3.315
   97   1HD1  ILE  12          HD11      ILE  12  -8.775   3.128   3.151
   98   2HD1  ILE  12          HD12      ILE  12  -9.702   2.644   1.730
   99   3HD1  ILE  12          HD13      ILE  12  -9.318   4.345   1.996
  100    H    CYS  13           HN       CYS  13  -6.562  -1.034   0.437
  101    HA   CYS  13           HA       CYS  13  -4.495  -2.093   2.172
  102   1HB   CYS  13          HB2       CYS  13  -6.764  -3.080   1.651
  103   2HB   CYS  13          HB1       CYS  13  -6.165  -3.471   0.039
  104    HG   CYS  13           HG       CYS  13  -4.370  -5.044   1.178
  105    H    GLU  14           HN       GLU  14  -4.829  -1.642  -1.339
  106    HA   GLU  14           HA       GLU  14  -2.545  -3.164  -2.178
  107   1HB   GLU  14          HB2       GLU  14  -4.504  -1.279  -3.225
  108   2HB   GLU  14          HB1       GLU  14  -2.914  -0.996  -3.926
  109   1HG   GLU  14          HG2       GLU  14  -2.817  -3.101  -4.907
  110   2HG   GLU  14          HG1       GLU  14  -3.932  -3.809  -3.736
  111    H    VAL  15           HN       VAL  15  -2.955   0.201  -1.155
  112    HA   VAL  15           HA       VAL  15  -0.254   1.064  -1.738
  113    HB   VAL  15           HB       VAL  15  -2.428   2.071   0.133
  114   1HG1  VAL  15          HG11      VAL  15   0.312   3.095  -0.508
  115   2HG1  VAL  15          HG12      VAL  15  -0.592   3.184   1.003
  116   3HG1  VAL  15          HG13      VAL  15  -0.992   4.269  -0.328
  117   1HG2  VAL  15          HG21      VAL  15  -2.179   3.860  -1.930
  118   2HG2  VAL  15          HG22      VAL  15  -3.352   2.543  -1.900
  119   3HG2  VAL  15          HG23      VAL  15  -1.819   2.339  -2.749
  120    H    LEU  16           HN       LEU  16  -1.843  -0.382   1.103
  121    HA   LEU  16           HA       LEU  16   0.241   0.019   3.022
  122   1HB   LEU  16          HB2       LEU  16  -2.213  -0.882   3.198
  123   2HB   LEU  16          HB1       LEU  16  -1.486  -2.454   2.867
  124    HG   LEU  16           HG       LEU  16  -0.210  -0.758   4.973
  125   1HD1  LEU  16          HD11      LEU  16  -2.658  -0.609   5.429
  126   2HD1  LEU  16          HD12      LEU  16  -1.796  -1.521   6.668
  127   3HD1  LEU  16          HD13      LEU  16  -2.737  -2.371   5.443
  128   1HD2  LEU  16          HD21      LEU  16  -0.256  -3.210   5.985
  129   2HD2  LEU  16          HD22      LEU  16   0.902  -2.789   4.723
  130   3HD2  LEU  16          HD23      LEU  16  -0.573  -3.664   4.310
  131    H    SER  17           HN       SER  17  -0.406  -2.779   0.861
  132    HA   SER  17           HA       SER  17   1.999  -4.222   1.565
  133   1HB   SER  17          HB2       SER  17   1.407  -5.440  -0.595
  134   2HB   SER  17          HB1       SER  17   0.105  -5.356   0.587
  135    HG   SER  17           HG       SER  17   0.405  -4.064  -1.871
  136    H    ASP  18           HN       ASP  18   1.192  -1.836  -0.939
  137    HA   ASP  18           HA       ASP  18   3.608  -2.028  -2.479
  138   1HB   ASP  18          HB2       ASP  18   1.590  -0.939  -3.297
  139   2HB   ASP  18          HB1       ASP  18   1.618   0.208  -1.959
  140    H    PHE  19           HN       PHE  19   2.685   0.082   0.270
  141    HA   PHE  19           HA       PHE  19   5.078   1.624   0.426
  142   1HB   PHE  19          HB2       PHE  19   2.677   1.214   1.874
  143   2HB   PHE  19          HB1       PHE  19   3.985   0.959   3.026
  144    HD1  PHE  19           HD1      PHE  19   2.479   3.368   0.653
  145    HD2  PHE  19           HD2      PHE  19   5.440   2.760   3.704
  146    HE1  PHE  19           HE1      PHE  19   2.843   5.818   0.789
  147    HE2  PHE  19           HE2      PHE  19   5.804   5.208   3.840
  148    HZ   PHE  19           HZ       PHE  19   4.506   6.738   2.382
  149    H    LYS  20           HN       LYS  20   4.259  -1.588   1.695
  150    HA   LYS  20           HA       LYS  20   6.596  -2.012   3.306
  151   1HB   LYS  20          HB2       LYS  20   4.321  -3.296   3.055
  152   2HB   LYS  20          HB1       LYS  20   5.152  -4.170   1.767
  153   1HG   LYS  20          HG2       LYS  20   5.987  -5.512   3.379
  154   2HG   LYS  20          HG1       LYS  20   7.000  -4.151   3.856
  155   1HD   LYS  20          HD2       LYS  20   5.784  -3.749   5.728
  156   2HD   LYS  20          HD1       LYS  20   4.250  -3.992   4.891
  157   1HE   LYS  20          HE2       LYS  20   4.530  -6.436   5.033
  158   2HE   LYS  20          HE1       LYS  20   6.098  -6.217   5.836
  159   1HZ   LYS  20          HZ1       LYS  20   3.465  -5.234   6.815
  160   2HZ   LYS  20          HZ2       LYS  20   4.960  -4.897   7.550
  161   3HZ   LYS  20          HZ3       LYS  20   4.377  -6.492   7.491
  162    H    THR  21           HN       THR  21   5.911  -2.604  -0.155
  163    HA   THR  21           HA       THR  21   8.449  -3.906  -0.712
  164    HB   THR  21           HB       THR  21   6.576  -2.410  -2.580
  165    HG1  THR  21           HG1      THR  21   5.199  -3.906  -2.134
  166   1HG2  THR  21          HG21      THR  21   7.567  -4.727  -3.791
  167   2HG2  THR  21          HG22      THR  21   8.952  -4.052  -2.935
  168   3HG2  THR  21          HG23      THR  21   8.084  -3.072  -4.116
  169    H    TRP  22           HN       TRP  22   7.260  -0.556  -0.863
  170    HA   TRP  22           HA       TRP  22   9.448   0.662  -2.222
  171   1HB   TRP  22          HB2       TRP  22   7.175   1.606  -1.502
  172   2HB   TRP  22          HB1       TRP  22   7.872   1.814   0.100
  173    HD1  TRP  22           HD1      TRP  22   7.806   3.330  -3.336
  174    HE1  TRP  22           HE1      TRP  22   9.269   5.453  -3.374
  175    HE3  TRP  22           HE3      TRP  22  10.117   2.895   1.199
  176    HZ2  TRP  22           HZ2      TRP  22  11.167   6.789  -1.701
  177    HZ3  TRP  22           HZ3      TRP  22  11.746   4.604   1.949
  178    HH2  TRP  22           HH2      TRP  22  12.273   6.549   0.507
  179    H    LEU  23           HN       LEU  23   8.873   0.308   1.286
  180    HA   LEU  23           HA       LEU  23  11.425   1.314   2.138
  181   1HB   LEU  23          HB2       LEU  23   9.337  -0.507   3.370
  182   2HB   LEU  23          HB1       LEU  23  10.739   0.075   4.267
  183    HG   LEU  23           HG       LEU  23   8.906   1.985   2.813
  184   1HD1  LEU  23          HD11      LEU  23   7.369   0.950   4.272
  185   2HD1  LEU  23          HD12      LEU  23   7.947   2.336   5.198
  186   3HD1  LEU  23          HD13      LEU  23   8.581   0.724   5.533
  187   1HD2  LEU  23          HD21      LEU  23  11.000   2.953   3.485
  188   2HD2  LEU  23          HD22      LEU  23  10.913   2.192   5.073
  189   3HD2  LEU  23          HD23      LEU  23   9.801   3.496   4.658
  190    H    LYS  24           HN       LYS  24  10.292  -1.975   1.336
  191    HA   LYS  24           HA       LYS  24  12.684  -3.353   2.216
  192   1HB   LYS  24          HB2       LYS  24  10.333  -4.261   1.768
  193   2HB   LYS  24          HB1       LYS  24  10.722  -4.169   0.050
  194   1HG   LYS  24          HG2       LYS  24  12.297  -5.867   0.172
  195   2HG   LYS  24          HG1       LYS  24  12.649  -5.561   1.874
  196   1HD   LYS  24          HD2       LYS  24  10.694  -6.666   2.604
  197   2HD   LYS  24          HD1       LYS  24   9.947  -6.585   1.009
  198   1HE   LYS  24          HE2       LYS  24  12.523  -8.019   1.012
  199   2HE   LYS  24          HE1       LYS  24  11.269  -8.799   1.995
  200   1HZ   LYS  24          HZ1       LYS  24  11.097  -9.463  -0.336
  201   2HZ   LYS  24          HZ2       LYS  24  10.918  -7.839  -0.801
  202   3HZ   LYS  24          HZ3       LYS  24   9.726  -8.590   0.147
  203    H    ALA  25           HN       ALA  25  11.582  -2.102  -0.950
  204    HA   ALA  25           HA       ALA  25  13.805  -3.008  -2.515
  205   1HB   ALA  25          HB1       ALA  25  11.947  -0.621  -2.773
  206   2HB   ALA  25          HB2       ALA  25  11.683  -2.227  -3.450
  207   3HB   ALA  25          HB3       ALA  25  12.990  -1.215  -4.066
  208    H    LYS  26           HN       LYS  26  13.303  -0.066  -0.572
  209    HA   LYS  26           HA       LYS  26  15.681   1.327  -1.444
  210   1HB   LYS  26          HB2       LYS  26  13.643   2.294  -0.356
  211   2HB   LYS  26          HB1       LYS  26  14.106   1.496   1.146
  212   1HG   LYS  26          HG2       LYS  26  16.313   3.025  -0.002
  213   2HG   LYS  26          HG1       LYS  26  14.906   4.034   0.326
  214   1HD   LYS  26          HD2       LYS  26  15.894   2.068   2.386
  215   2HD   LYS  26          HD1       LYS  26  16.628   3.665   2.244
  216   1HE   LYS  26          HE2       LYS  26  14.943   4.445   3.552
  217   2HE   LYS  26          HE1       LYS  26  13.845   4.132   2.194
  218   1HZ   LYS  26          HZ1       LYS  26  13.233   2.921   4.258
  219   2HZ   LYS  26          HZ2       LYS  26  14.697   2.067   4.158
  220   3HZ   LYS  26          HZ3       LYS  26  13.524   1.896   2.941
  221    H    LEU  27           HN       LEU  27  15.060  -1.146   1.000
  222    HA   LEU  27           HA       LEU  27  17.657  -0.785   2.339
  223   1HB   LEU  27          HB2       LEU  27  15.305  -1.577   3.227
  224   2HB   LEU  27          HB1       LEU  27  15.826  -3.153   2.633
  225    HG   LEU  27           HG       LEU  27  18.055  -2.501   3.956
  226   1HD1  LEU  27          HD11      LEU  27  17.623  -1.206   5.933
  227   2HD1  LEU  27          HD12      LEU  27  15.893  -1.148   5.591
  228   3HD1  LEU  27          HD13      LEU  27  17.024  -0.260   4.570
  229   1HD2  LEU  27          HD21      LEU  27  17.084  -3.711   5.928
  230   2HD2  LEU  27          HD22      LEU  27  16.739  -4.507   4.392
  231   3HD2  LEU  27          HD23      LEU  27  15.489  -3.554   5.192
  232    H    MET  28           HN       MET  28  16.423  -2.613  -0.360
  233    HA   MET  28           HA       MET  28  18.066  -4.918  -0.337
  234   1HB   MET  28          HB2       MET  28  16.706  -3.228  -2.408
  235   2HB   MET  28          HB1       MET  28  17.781  -4.517  -2.945
  236   1HG   MET  28          HG2       MET  28  15.472  -4.891  -1.015
  237   2HG   MET  28          HG1       MET  28  15.414  -5.277  -2.734
  238   1HE   MET  28          HE1       MET  28  16.620  -7.008  -3.912
  239   2HE   MET  28          HE2       MET  28  17.789  -8.153  -3.258
  240   3HE   MET  28          HE3       MET  28  18.227  -6.454  -3.422
  241    HA   PRO  29           HA       PRO  29  21.428  -2.523  -2.732
  242   1HB   PRO  29          HB2       PRO  29  21.211   0.195  -3.000
  243   2HB   PRO  29          HB1       PRO  29  20.530  -0.951  -4.165
  244   1HG   PRO  29          HG2       PRO  29  19.174   0.593  -2.028
  245   2HG   PRO  29          HG1       PRO  29  18.595   0.139  -3.636
  246   1HD   PRO  29          HD2       PRO  29  17.871  -1.122  -1.303
  247   2HD   PRO  29          HD1       PRO  29  17.792  -1.860  -2.915
  248    H    GLN  30           HN       GLN  30  20.984   0.579  -1.155
  249    HA   GLN  30           HA       GLN  30  22.128  -0.194   1.414
  250   1HB   GLN  30          HB2       GLN  30  24.273   1.172   0.901
  251   2HB   GLN  30          HB1       GLN  30  24.159  -0.451   0.228
  252   1HG   GLN  30          HG2       GLN  30  22.954   1.388  -1.622
  253   2HG   GLN  30          HG1       GLN  30  24.544   2.001  -1.176
  254   1HE2  GLN  30          HE21      GLN  30  26.333   0.163  -1.199
  255   2HE2  GLN  30          HE22      GLN  30  26.250  -0.925  -2.500
  256    H    LEU  31           HN       LEU  31  21.698   2.509  -0.906
  257    HA   LEU  31           HA       LEU  31  20.776   4.202   1.392
  258   1HB   LEU  31          HB2       LEU  31  22.800   4.622  -0.756
  259   2HB   LEU  31          HB1       LEU  31  21.795   6.010  -0.339
  260    HG   LEU  31           HG       LEU  31  22.891   4.485   1.958
  261   1HD1  LEU  31          HD11      LEU  31  24.641   6.188   0.155
  262   2HD1  LEU  31          HD12      LEU  31  24.827   4.459   0.456
  263   3HD1  LEU  31          HD13      LEU  31  25.096   5.615   1.760
  264   1HD2  LEU  31          HD21      LEU  31  22.825   7.444   1.283
  265   2HD2  LEU  31          HD22      LEU  31  23.124   6.734   2.869
  266   3HD2  LEU  31          HD23      LEU  31  21.533   6.587   2.123
  Start of MODEL   49
    1   1H    SER   1           HT1      SER   1 -19.281   5.221 -12.020
    2   2H    SER   1           HT2      SER   1 -19.379   6.511 -13.121
    3   3H    SER   1           HT3      SER   1 -20.791   5.706 -12.622
    4    HA   SER   1           HA       SER   1 -19.034   7.403 -10.915
    5   1HB   SER   1          HB2       SER   1 -21.198   8.752 -10.896
    6   2HB   SER   1          HB1       SER   1 -20.369   8.693 -12.449
    7    HG   SER   1           HG       SER   1 -22.722   8.234 -12.404
    8    H    GLY   2           HN       GLY   2 -19.536   7.342  -8.692
    9   1HA   GLY   2          HA2       GLY   2 -20.689   6.680  -6.723
   10   2HA   GLY   2          HA1       GLY   2 -21.859   5.822  -7.727
   11    H    SER   3           HN       SER   3 -21.774   3.837  -6.664
   12    HA   SER   3           HA       SER   3 -20.852   1.821  -5.820
   13   1HB   SER   3          HB2       SER   3 -19.758   0.620  -7.690
   14   2HB   SER   3          HB1       SER   3 -21.166   1.520  -8.242
   15    HG   SER   3           HG       SER   3 -19.895   2.871  -9.302
   16    H    TRP   4           HN       TRP   4 -19.446   3.814  -4.544
   17    HA   TRP   4           HA       TRP   4 -16.563   3.053  -4.831
   18   1HB   TRP   4          HB2       TRP   4 -17.971   5.513  -4.634
   19   2HB   TRP   4          HB1       TRP   4 -17.079   5.330  -3.126
   20    HD1  TRP   4           HD1      TRP   4 -15.928   4.071  -6.577
   21    HE1  TRP   4           HE1      TRP   4 -13.703   5.232  -7.170
   22    HE3  TRP   4           HE3      TRP   4 -15.541   7.311  -2.646
   23    HZ2  TRP   4           HZ2      TRP   4 -11.992   7.269  -6.121
   24    HZ3  TRP   4           HZ3      TRP   4 -13.610   8.850  -2.471
   25    HH2  TRP   4           HH2      TRP   4 -11.835   8.833  -4.202
   26    H    LEU   5           HN       LEU   5 -15.886   4.061  -2.185
   27    HA   LEU   5           HA       LEU   5 -15.808   3.402   0.079
   28   1HB   LEU   5          HB2       LEU   5 -18.396   3.614  -0.396
   29   2HB   LEU   5          HB1       LEU   5 -18.359   1.853  -0.316
   30    HG   LEU   5           HG       LEU   5 -16.900   3.247   1.854
   31   1HD1  LEU   5          HD11      LEU   5 -18.835   4.725   1.672
   32   2HD1  LEU   5          HD12      LEU   5 -19.016   3.701   3.096
   33   3HD1  LEU   5          HD13      LEU   5 -19.924   3.338   1.628
   34   1HD2  LEU   5          HD21      LEU   5 -17.845   1.447   3.170
   35   2HD2  LEU   5          HD22      LEU   5 -17.279   0.758   1.648
   36   3HD2  LEU   5          HD23      LEU   5 -19.000   1.058   1.894
   37    H    ARG   6           HN       ARG   6 -17.360   0.641  -1.641
   38    HA   ARG   6           HA       ARG   6 -15.883  -1.412  -0.316
   39   1HB   ARG   6          HB2       ARG   6 -17.924  -1.836  -1.563
   40   2HB   ARG   6          HB1       ARG   6 -17.200  -1.219  -3.047
   41   1HG   ARG   6          HG2       ARG   6 -15.567  -3.332  -1.900
   42   2HG   ARG   6          HG1       ARG   6 -17.218  -3.889  -2.176
   43   1HD   ARG   6          HD2       ARG   6 -17.038  -3.711  -4.462
   44   2HD   ARG   6          HD1       ARG   6 -15.991  -2.280  -4.369
   45    HE   ARG   6           HE       ARG   6 -15.013  -5.045  -3.729
   46   1HH1  ARG   6          HH11      ARG   6 -14.770  -3.271  -6.382
   47   2HH1  ARG   6          HH12      ARG   6 -13.087  -2.876  -6.282
   48   1HH2  ARG   6          HH21      ARG   6 -12.764  -3.935  -2.987
   49   2HH2  ARG   6          HH22      ARG   6 -11.947  -3.265  -4.359
   50    H    ASP   7           HN       ASP   7 -15.232   0.371  -3.339
   51    HA   ASP   7           HA       ASP   7 -12.784  -1.082  -3.963
   52   1HB   ASP   7          HB2       ASP   7 -14.458   0.290  -5.448
   53   2HB   ASP   7          HB1       ASP   7 -13.496   1.679  -4.940
   54    H    ILE   8           HN       ILE   8 -13.590   1.910  -2.220
   55    HA   ILE   8           HA       ILE   8 -10.947   3.008  -2.016
   56    HB   ILE   8           HB       ILE   8 -13.377   3.155  -0.193
   57   1HG1  ILE   8          HG12      ILE   8 -13.808   3.959  -2.474
   58   2HG1  ILE   8          HG11      ILE   8 -13.750   5.323  -1.359
   59   1HG2  ILE   8          HG21      ILE   8 -12.175   5.445   0.337
   60   2HG2  ILE   8          HG22      ILE   8 -10.730   4.571  -0.168
   61   3HG2  ILE   8          HG23      ILE   8 -11.691   3.977   1.186
   62   1HD1  ILE   8          HD11      ILE   8 -12.253   6.224  -2.796
   63   2HD1  ILE   8          HD12      ILE   8 -11.993   4.687  -3.619
   64   3HD1  ILE   8          HD13      ILE   8 -11.106   5.058  -2.141
   65    H    TRP   9           HN       TRP   9 -12.764   0.803   0.154
   66    HA   TRP   9           HA       TRP   9 -10.806   0.528   2.204
   67   1HB   TRP   9          HB2       TRP   9 -13.167  -0.266   2.263
   68   2HB   TRP   9          HB1       TRP   9 -12.767  -1.505   1.074
   69    HD1  TRP   9           HD1      TRP   9 -12.548  -3.746   2.233
   70    HE1  TRP   9           HE1      TRP   9 -11.508  -4.603   4.430
   71    HE3  TRP   9           HE3      TRP   9 -10.968   0.675   4.251
   72    HZ2  TRP   9           HZ2      TRP   9 -10.181  -3.555   6.737
   73    HZ3  TRP   9           HZ3      TRP   9  -9.822   0.714   6.446
   74    HH2  TRP   9           HH2      TRP   9  -9.426  -1.393   7.691
   75    H    ASP  10           HN       ASP  10 -11.189  -1.150  -0.913
   76    HA   ASP  10           HA       ASP  10  -9.010  -3.028  -0.517
   77   1HB   ASP  10          HB2       ASP  10 -11.112  -2.796  -2.212
   78   2HB   ASP  10          HB1       ASP  10  -9.837  -2.145  -3.241
   79    H    TRP  11           HN       TRP  11  -9.329   0.164  -2.080
   80    HA   TRP  11           HA       TRP  11  -6.698   0.321  -3.207
   81   1HB   TRP  11          HB2       TRP  11  -8.479   1.811  -3.881
   82   2HB   TRP  11          HB1       TRP  11  -8.709   2.371  -2.226
   83    HD1  TRP  11           HD1      TRP  11  -6.018   2.427  -4.995
   84    HE1  TRP  11           HE1      TRP  11  -4.606   4.564  -4.700
   85    HE3  TRP  11           HE3      TRP  11  -8.088   4.267  -0.706
   86    HZ2  TRP  11           HZ2      TRP  11  -4.385   6.764  -2.885
   87    HZ3  TRP  11           HZ3      TRP  11  -7.259   6.383   0.284
   88    HH2  TRP  11           HH2      TRP  11  -5.412   7.633  -0.799
   89    H    ILE  12           HN       ILE  12  -7.984   1.402  -0.039
   90    HA   ILE  12           HA       ILE  12  -5.636   2.609   1.007
   91    HB   ILE  12           HB       ILE  12  -7.926   1.052   2.257
   92   1HG1  ILE  12          HG12      ILE  12  -7.386   4.019   2.407
   93   2HG1  ILE  12          HG11      ILE  12  -8.210   3.320   1.014
   94   1HG2  ILE  12          HG21      ILE  12  -5.712   2.642   3.589
   95   2HG2  ILE  12          HG22      ILE  12  -6.117   0.946   3.856
   96   3HG2  ILE  12          HG23      ILE  12  -7.221   2.211   4.395
   97   1HD1  ILE  12          HD11      ILE  12  -9.098   3.339   3.898
   98   2HD1  ILE  12          HD12      ILE  12  -9.763   2.185   2.741
   99   3HD1  ILE  12          HD13      ILE  12  -9.970   3.917   2.478
  100    H    CYS  13           HN       CYS  13  -6.617  -0.810   0.878
  101    HA   CYS  13           HA       CYS  13  -4.391  -1.820   2.455
  102   1HB   CYS  13          HB2       CYS  13  -6.651  -2.900   2.017
  103   2HB   CYS  13          HB1       CYS  13  -6.094  -3.232   0.376
  104    HG   CYS  13           HG       CYS  13  -4.323  -4.852   1.300
  105    H    GLU  14           HN       GLU  14  -4.991  -1.326  -1.031
  106    HA   GLU  14           HA       GLU  14  -2.677  -2.685  -2.030
  107   1HB   GLU  14          HB2       GLU  14  -4.817  -0.981  -2.946
  108   2HB   GLU  14          HB1       GLU  14  -3.299  -0.447  -3.664
  109   1HG   GLU  14          HG2       GLU  14  -3.916  -2.088  -5.184
  110   2HG   GLU  14          HG1       GLU  14  -2.951  -3.047  -4.061
  111    H    VAL  15           HN       VAL  15  -3.177   0.634  -0.901
  112    HA   VAL  15           HA       VAL  15  -0.528   1.602  -1.604
  113    HB   VAL  15           HB       VAL  15  -2.641   2.548   0.371
  114   1HG1  VAL  15          HG11      VAL  15  -0.320   4.084  -0.838
  115   2HG1  VAL  15          HG12      VAL  15  -0.357   3.470   0.815
  116   3HG1  VAL  15          HG13      VAL  15  -1.508   4.705   0.308
  117   1HG2  VAL  15          HG21      VAL  15  -2.583   4.275  -1.794
  118   2HG2  VAL  15          HG22      VAL  15  -3.761   2.986  -1.554
  119   3HG2  VAL  15          HG23      VAL  15  -2.334   2.701  -2.548
  120    H    LEU  16           HN       LEU  16  -1.914  -0.080   1.164
  121    HA   LEU  16           HA       LEU  16   0.285   0.476   3.000
  122   1HB   LEU  16          HB2       LEU  16  -2.334  -0.489   3.094
  123   2HB   LEU  16          HB1       LEU  16  -1.358  -1.894   3.516
  124    HG   LEU  16           HG       LEU  16  -1.951  -0.608   5.530
  125   1HD1  LEU  16          HD11      LEU  16   0.228  -0.518   6.493
  126   2HD1  LEU  16          HD12      LEU  16   0.980  -0.150   4.940
  127   3HD1  LEU  16          HD13      LEU  16   0.318  -1.758   5.241
  128   1HD2  LEU  16          HD21      LEU  16  -0.263   1.661   4.476
  129   2HD2  LEU  16          HD22      LEU  16  -1.403   1.670   5.822
  130   3HD2  LEU  16          HD23      LEU  16  -1.998   1.601   4.164
  131    H    SER  17           HN       SER  17  -0.647  -2.287   0.919
  132    HA   SER  17           HA       SER  17   1.445  -4.066   1.777
  133   1HB   SER  17          HB2       SER  17   0.887  -5.156  -0.461
  134   2HB   SER  17          HB1       SER  17  -0.484  -4.898   0.610
  135    HG   SER  17           HG       SER  17  -1.303  -3.745  -0.933
  136    H    ASP  18           HN       ASP  18   1.247  -1.819  -1.017
  137    HA   ASP  18           HA       ASP  18   3.840  -2.368  -2.095
  138   1HB   ASP  18          HB2       ASP  18   1.983  -1.153  -3.223
  139   2HB   ASP  18          HB1       ASP  18   2.208   0.196  -2.109
  140    H    PHE  19           HN       PHE  19   2.774  -0.189   0.499
  141    HA   PHE  19           HA       PHE  19   5.035   1.450   0.855
  142   1HB   PHE  19          HB2       PHE  19   2.666   0.809   2.186
  143   2HB   PHE  19          HB1       PHE  19   3.921   0.383   3.346
  144    HD1  PHE  19           HD1      PHE  19   5.767   2.123   3.811
  145    HD2  PHE  19           HD2      PHE  19   2.059   3.069   1.857
  146    HE1  PHE  19           HE1      PHE  19   6.096   4.521   4.347
  147    HE2  PHE  19           HE2      PHE  19   2.390   5.467   2.392
  148    HZ   PHE  19           HZ       PHE  19   4.408   6.193   3.637
  149    H    LYS  20           HN       LYS  20   4.505  -1.907   1.905
  150    HA   LYS  20           HA       LYS  20   6.953  -2.174   3.430
  151   1HB   LYS  20          HB2       LYS  20   4.688  -3.578   3.227
  152   2HB   LYS  20          HB1       LYS  20   5.626  -4.474   2.033
  153   1HG   LYS  20          HG2       LYS  20   7.063  -5.333   3.600
  154   2HG   LYS  20          HG1       LYS  20   6.991  -3.887   4.609
  155   1HD   LYS  20          HD2       LYS  20   4.423  -4.776   4.828
  156   2HD   LYS  20          HD1       LYS  20   5.283  -6.305   4.653
  157   1HE   LYS  20          HE2       LYS  20   5.434  -6.003   6.965
  158   2HE   LYS  20          HE1       LYS  20   6.919  -5.181   6.448
  159   1HZ   LYS  20          HZ1       LYS  20   5.531  -3.123   6.221
  160   2HZ   LYS  20          HZ2       LYS  20   5.740  -3.663   7.818
  161   3HZ   LYS  20          HZ3       LYS  20   4.274  -3.949   7.008
  162    H    THR  21           HN       THR  21   6.035  -3.184   0.105
  163    HA   THR  21           HA       THR  21   8.622  -4.201  -0.635
  164    HB   THR  21           HB       THR  21   6.464  -2.985  -2.393
  165    HG1  THR  21           HG1      THR  21   6.667  -5.691  -1.602
  166   1HG2  THR  21          HG21      THR  21   7.933  -3.581  -4.003
  167   2HG2  THR  21          HG22      THR  21   7.501  -5.247  -3.616
  168   3HG2  THR  21          HG23      THR  21   8.919  -4.508  -2.872
  169    H    TRP  22           HN       TRP  22   7.125  -0.979  -0.925
  170    HA   TRP  22           HA       TRP  22   9.049   0.338  -2.533
  171   1HB   TRP  22          HB2       TRP  22   6.773   1.071  -1.481
  172   2HB   TRP  22          HB1       TRP  22   7.746   1.569  -0.102
  173    HD1  TRP  22           HD1      TRP  22   6.992   2.448  -3.715
  174    HE1  TRP  22           HE1      TRP  22   8.063   4.729  -4.265
  175    HE3  TRP  22           HE3      TRP  22   9.752   3.168   0.518
  176    HZ2  TRP  22           HZ2      TRP  22   9.855   6.610  -3.064
  177    HZ3  TRP  22           HZ3      TRP  22  11.130   5.209   0.791
  178    HH2  TRP  22           HH2      TRP  22  11.184   6.930  -0.994
  179    H    LEU  23           HN       LEU  23   8.931   0.049   1.027
  180    HA   LEU  23           HA       LEU  23  11.480   1.314   1.518
  181   1HB   LEU  23          HB2       LEU  23   9.348  -0.095   2.961
  182   2HB   LEU  23          HB1       LEU  23  10.944  -0.404   3.644
  183    HG   LEU  23           HG       LEU  23  11.282   2.165   3.471
  184   1HD1  LEU  23          HD11      LEU  23   8.465   1.820   2.678
  185   2HD1  LEU  23          HD12      LEU  23   9.549   3.187   2.417
  186   3HD1  LEU  23          HD13      LEU  23   8.707   3.012   3.955
  187   1HD2  LEU  23          HD21      LEU  23  11.032   0.929   5.595
  188   2HD2  LEU  23          HD22      LEU  23   9.276   0.991   5.426
  189   3HD2  LEU  23          HD23      LEU  23  10.192   2.479   5.669
  190    H    LYS  24           HN       LYS  24  10.485  -2.097   1.115
  191    HA   LYS  24           HA       LYS  24  13.024  -3.292   1.754
  192   1HB   LYS  24          HB2       LYS  24  10.531  -4.055   0.252
  193   2HB   LYS  24          HB1       LYS  24  11.929  -5.127   0.200
  194   1HG   LYS  24          HG2       LYS  24  11.884  -5.507   2.523
  195   2HG   LYS  24          HG1       LYS  24  10.900  -4.076   2.830
  196   1HD   LYS  24          HD2       LYS  24   8.942  -5.139   2.304
  197   2HD   LYS  24          HD1       LYS  24   9.692  -6.121   1.046
  198   1HE   LYS  24          HE2       LYS  24  10.436  -6.642   3.914
  199   2HE   LYS  24          HE1       LYS  24   8.898  -7.271   3.292
  200   1HZ   LYS  24          HZ1       LYS  24  10.719  -8.834   2.893
  201   2HZ   LYS  24          HZ2       LYS  24  11.559  -7.651   2.010
  202   3HZ   LYS  24          HZ3       LYS  24  10.079  -8.258   1.431
  203    H    ALA  25           HN       ALA  25  11.616  -2.129  -1.310
  204    HA   ALA  25           HA       ALA  25  13.686  -3.073  -3.061
  205   1HB   ALA  25          HB1       ALA  25  11.467  -2.333  -3.796
  206   2HB   ALA  25          HB2       ALA  25  12.702  -1.345  -4.578
  207   3HB   ALA  25          HB3       ALA  25  11.794  -0.702  -3.209
  208    H    LYS  26           HN       LYS  26  13.472  -0.252  -0.950
  209    HA   LYS  26           HA       LYS  26  15.837   1.039  -2.175
  210   1HB   LYS  26          HB2       LYS  26  13.607   2.031  -1.103
  211   2HB   LYS  26          HB1       LYS  26  14.546   1.909   0.387
  212   1HG   LYS  26          HG2       LYS  26  16.419   3.125  -0.883
  213   2HG   LYS  26          HG1       LYS  26  15.200   3.493  -2.103
  214   1HD   LYS  26          HD2       LYS  26  14.663   5.288  -0.839
  215   2HD   LYS  26          HD1       LYS  26  13.941   4.145   0.293
  216   1HE   LYS  26          HE2       LYS  26  15.450   5.342   1.663
  217   2HE   LYS  26          HE1       LYS  26  16.403   3.916   1.211
  218   1HZ   LYS  26          HZ1       LYS  26  17.287   5.162  -0.680
  219   2HZ   LYS  26          HZ2       LYS  26  17.657   5.938   0.785
  220   3HZ   LYS  26          HZ3       LYS  26  16.411   6.536  -0.204
  221    H    LEU  27           HN       LEU  27  15.021  -0.915   0.663
  222    HA   LEU  27           HA       LEU  27  17.633  -0.413   1.950
  223   1HB   LEU  27          HB2       LEU  27  15.133  -0.942   2.868
  224   2HB   LEU  27          HB1       LEU  27  15.808  -2.571   2.875
  225    HG   LEU  27           HG       LEU  27  17.858  -1.449   4.048
  226   1HD1  LEU  27          HD11      LEU  27  17.374   0.853   3.873
  227   2HD1  LEU  27          HD12      LEU  27  16.927   0.466   5.535
  228   3HD1  LEU  27          HD13      LEU  27  15.678   0.621   4.299
  229   1HD2  LEU  27          HD21      LEU  27  15.163  -1.894   5.366
  230   2HD2  LEU  27          HD22      LEU  27  16.657  -1.661   6.273
  231   3HD2  LEU  27          HD23      LEU  27  16.481  -3.056   5.207
  232    H    MET  28           HN       MET  28  15.951  -3.137   0.336
  233    HA   MET  28           HA       MET  28  18.454  -4.755   0.478
  234   1HB   MET  28          HB2       MET  28  15.534  -5.214   0.238
  235   2HB   MET  28          HB1       MET  28  16.545  -6.330  -0.679
  236   1HG   MET  28          HG2       MET  28  17.699  -7.058   1.266
  237   2HG   MET  28          HG1       MET  28  17.103  -5.700   2.222
  238   1HE   MET  28          HE1       MET  28  15.750  -6.594   4.187
  239   2HE   MET  28          HE2       MET  28  14.039  -6.754   3.799
  240   3HE   MET  28          HE3       MET  28  14.954  -5.384   3.172
  241    HA   PRO  29           HA       PRO  29  18.973  -3.398  -3.792
  242   1HB   PRO  29          HB2       PRO  29  21.587  -4.171  -3.995
  243   2HB   PRO  29          HB1       PRO  29  21.084  -2.660  -3.217
  244   1HG   PRO  29          HG2       PRO  29  21.959  -5.213  -2.003
  245   2HG   PRO  29          HG1       PRO  29  22.175  -3.554  -1.428
  246   1HD   PRO  29          HD2       PRO  29  20.293  -5.356  -0.471
  247   2HD   PRO  29          HD1       PRO  29  20.235  -3.594  -0.258
  248    H    GLN  30           HN       GLN  30  20.351  -4.742  -5.653
  249    HA   GLN  30           HA       GLN  30  18.980  -7.367  -5.819
  250   1HB   GLN  30          HB2       GLN  30  20.431  -5.484  -7.671
  251   2HB   GLN  30          HB1       GLN  30  20.131  -7.147  -8.178
  252   1HG   GLN  30          HG2       GLN  30  17.855  -5.584  -7.016
  253   2HG   GLN  30          HG1       GLN  30  18.352  -5.239  -8.673
  254   1HE2  GLN  30          HE21      GLN  30  17.769  -6.757 -10.298
  255   2HE2  GLN  30          HE22      GLN  30  16.958  -8.212  -9.971
  256    H    LEU  31           HN       LEU  31  20.586  -8.983  -7.209
  257    HA   LEU  31           HA       LEU  31  22.726  -9.683  -5.321
  258   1HB   LEU  31          HB2       LEU  31  21.394 -10.860  -7.741
  259   2HB   LEU  31          HB1       LEU  31  22.949 -11.517  -7.232
  260    HG   LEU  31           HG       LEU  31  21.259 -11.167  -4.924
  261   1HD1  LEU  31          HD11      LEU  31  20.050 -12.530  -7.323
  262   2HD1  LEU  31          HD12      LEU  31  19.291 -11.420  -6.183
  263   3HD1  LEU  31          HD13      LEU  31  19.657 -13.073  -5.692
  264   1HD2  LEU  31          HD21      LEU  31  22.146 -13.739  -6.256
  265   2HD2  LEU  31          HD22      LEU  31  21.846 -13.459  -4.541
  266   3HD2  LEU  31          HD23      LEU  31  23.245 -12.722  -5.323
  Start of MODEL   50
    1   1H    SER   1           HT1      SER   1 -23.749   8.171  -9.490
    2   2H    SER   1           HT2      SER   1 -22.633   7.182 -10.305
    3   3H    SER   1           HT3      SER   1 -22.253   8.804  -9.976
    4    HA   SER   1           HA       SER   1 -21.073   7.438  -8.406
    5   1HB   SER   1          HB2       SER   1 -22.236   8.397  -6.337
    6   2HB   SER   1          HB1       SER   1 -21.851   9.559  -7.602
    7    HG   SER   1           HG       SER   1 -24.042   9.658  -6.739
    8    H    GLY   2           HN       GLY   2 -21.282   5.914  -6.538
    9   1HA   GLY   2          HA2       GLY   2 -23.732   4.428  -6.108
   10   2HA   GLY   2          HA1       GLY   2 -22.601   3.521  -7.113
   11    H    SER   3           HN       SER   3 -21.977   1.942  -5.630
   12    HA   SER   3           HA       SER   3 -21.224   2.640  -2.877
   13   1HB   SER   3          HB2       SER   3 -20.699   0.173  -2.829
   14   2HB   SER   3          HB1       SER   3 -22.335   0.535  -3.372
   15    HG   SER   3           HG       SER   3 -20.061  -0.075  -4.968
   16    H    TRP   4           HN       TRP   4 -19.384   4.022  -3.051
   17    HA   TRP   4           HA       TRP   4 -16.982   2.891  -4.434
   18   1HB   TRP   4          HB2       TRP   4 -18.229   5.368  -4.529
   19   2HB   TRP   4          HB1       TRP   4 -16.871   5.650  -3.440
   20    HD1  TRP   4           HD1      TRP   4 -17.391   3.810  -6.819
   21    HE1  TRP   4           HE1      TRP   4 -15.363   4.331  -8.326
   22    HE3  TRP   4           HE3      TRP   4 -14.673   6.758  -3.656
   23    HZ2  TRP   4           HZ2      TRP   4 -12.915   5.801  -8.204
   24    HZ3  TRP   4           HZ3      TRP   4 -12.499   7.703  -4.376
   25    HH2  TRP   4           HH2      TRP   4 -11.617   7.229  -6.644
   26    H    LEU   5           HN       LEU   5 -18.266   2.871  -1.379
   27    HA   LEU   5           HA       LEU   5 -16.092   3.762   0.287
   28   1HB   LEU   5          HB2       LEU   5 -18.503   3.308   0.926
   29   2HB   LEU   5          HB1       LEU   5 -18.146   1.585   0.815
   30    HG   LEU   5           HG       LEU   5 -16.134   2.929   2.412
   31   1HD1  LEU   5          HD11      LEU   5 -17.975   4.520   2.882
   32   2HD1  LEU   5          HD12      LEU   5 -17.570   3.563   4.306
   33   3HD1  LEU   5          HD13      LEU   5 -19.007   3.172   3.362
   34   1HD2  LEU   5          HD21      LEU   5 -16.710   0.484   2.366
   35   2HD2  LEU   5          HD22      LEU   5 -18.236   0.871   3.162
   36   3HD2  LEU   5          HD23      LEU   5 -16.708   1.168   3.992
   37    H    ARG   6           HN       ARG   6 -17.019   0.472  -0.839
   38    HA   ARG   6           HA       ARG   6 -14.740  -0.885   0.265
   39   1HB   ARG   6          HB2       ARG   6 -16.995  -1.763  -0.675
   40   2HB   ARG   6          HB1       ARG   6 -16.223  -1.660  -2.257
   41   1HG   ARG   6          HG2       ARG   6 -14.806  -3.071  -0.011
   42   2HG   ARG   6          HG1       ARG   6 -16.089  -3.905  -0.888
   43   1HD   ARG   6          HD2       ARG   6 -14.783  -3.073  -3.029
   44   2HD   ARG   6          HD1       ARG   6 -13.420  -2.955  -1.901
   45    HE   ARG   6           HE       ARG   6 -14.741  -5.442  -2.739
   46   1HH1  ARG   6          HH21      ARG   6 -11.753  -4.893  -2.231
   47   2HH1  ARG   6          HH22      ARG   6 -11.488  -5.851  -0.812
   48   1HH2  ARG   6          HH11      ARG   6 -14.872  -6.221  -0.109
   49   2HH2  ARG   6          HH12      ARG   6 -13.260  -6.605   0.393
   50    H    ASP   7           HN       ASP   7 -15.306   0.766  -2.835
   51    HA   ASP   7           HA       ASP   7 -13.014  -0.072  -4.286
   52   1HB   ASP   7          HB2       ASP   7 -14.683   1.162  -5.423
   53   2HB   ASP   7          HB1       ASP   7 -14.730   2.412  -4.181
   54    H    ILE   8           HN       ILE   8 -13.406   2.792  -2.160
   55    HA   ILE   8           HA       ILE   8 -10.695   3.703  -2.312
   56    HB   ILE   8           HB       ILE   8 -12.944   4.000  -0.297
   57   1HG1  ILE   8          HG12      ILE   8 -11.749   6.060  -2.166
   58   2HG1  ILE   8          HG11      ILE   8 -13.047   4.982  -2.675
   59   1HG2  ILE   8          HG21      ILE   8 -10.984   4.403   1.004
   60   2HG2  ILE   8          HG22      ILE   8 -11.547   5.998   0.507
   61   3HG2  ILE   8          HG23      ILE   8 -10.185   5.245  -0.323
   62   1HD1  ILE   8          HD11      ILE   8 -13.293   7.407  -1.228
   63   2HD1  ILE   8          HD12      ILE   8 -13.704   6.109  -0.107
   64   3HD1  ILE   8          HD13      ILE   8 -14.573   6.264  -1.634
   65    H    TRP   9           HN       TRP   9 -12.336   1.781   0.245
   66    HA   TRP   9           HA       TRP   9 -10.078   1.306   1.894
   67   1HB   TRP   9          HB2       TRP   9 -12.564   0.864   2.292
   68   2HB   TRP   9          HB1       TRP   9 -12.355  -0.619   1.360
   69    HD1  TRP   9           HD1      TRP   9 -12.205  -2.553   3.001
   70    HE1  TRP   9           HE1      TRP   9 -10.928  -3.021   5.191
   71    HE3  TRP   9           HE3      TRP   9  -9.993   1.995   3.726
   72    HZ2  TRP   9           HZ2      TRP   9  -9.199  -1.649   7.008
   73    HZ3  TRP   9           HZ3      TRP   9  -8.539   2.385   5.693
   74    HH2  TRP   9           HH2      TRP   9  -8.140   0.571   7.334
   75    H    ASP  10           HN       ASP  10 -11.267  -0.528  -0.930
   76    HA   ASP  10           HA       ASP  10  -9.479  -2.749  -0.785
   77   1HB   ASP  10          HB2       ASP  10 -11.496  -2.534  -2.225
   78   2HB   ASP  10          HB1       ASP  10 -10.662  -1.318  -3.191
   79    H    TRP  11           HN       TRP  11  -9.143   0.391  -2.478
   80    HA   TRP  11           HA       TRP  11  -6.545  -0.087  -3.601
   81   1HB   TRP  11          HB2       TRP  11  -8.127   1.688  -4.293
   82   2HB   TRP  11          HB1       TRP  11  -7.943   2.468  -2.724
   83    HD1  TRP  11           HD1      TRP  11  -6.174   1.925  -6.037
   84    HE1  TRP  11           HE1      TRP  11  -4.114   3.472  -6.155
   85    HE3  TRP  11           HE3      TRP  11  -6.118   3.690  -1.245
   86    HZ2  TRP  11           HZ2      TRP  11  -2.638   5.226  -4.443
   87    HZ3  TRP  11           HZ3      TRP  11  -4.376   5.295  -0.516
   88    HH2  TRP  11           HH2      TRP  11  -2.638   6.065  -2.108
   89    H    ILE  12           HN       ILE  12  -7.580   1.347  -0.496
   90    HA   ILE  12           HA       ILE  12  -5.001   2.142   0.457
   91    HB   ILE  12           HB       ILE  12  -7.581   1.267   1.800
   92   1HG1  ILE  12          HG12      ILE  12  -6.403   4.038   1.743
   93   2HG1  ILE  12          HG11      ILE  12  -7.291   3.431   0.345
   94   1HG2  ILE  12          HG21      ILE  12  -6.049   0.923   3.541
   95   2HG2  ILE  12          HG22      ILE  12  -6.494   2.614   3.772
   96   3HG2  ILE  12          HG23      ILE  12  -4.973   2.203   2.979
   97   1HD1  ILE  12          HD11      ILE  12  -8.722   4.692   1.987
   98   2HD1  ILE  12          HD12      ILE  12  -8.387   3.426   3.170
   99   3HD1  ILE  12          HD13      ILE  12  -9.265   3.041   1.689
  100    H    CYS  13           HN       CYS  13  -6.727  -0.968   0.580
  101    HA   CYS  13           HA       CYS  13  -4.870  -2.332   2.325
  102   1HB   CYS  13          HB2       CYS  13  -7.280  -2.919   1.674
  103   2HB   CYS  13          HB1       CYS  13  -6.620  -3.522   0.155
  104    HG   CYS  13           HG       CYS  13  -5.133  -5.197   1.636
  105    H    GLU  14           HN       GLU  14  -5.111  -1.981  -1.223
  106    HA   GLU  14           HA       GLU  14  -2.999  -3.807  -1.905
  107   1HB   GLU  14          HB2       GLU  14  -4.758  -1.844  -3.135
  108   2HB   GLU  14          HB1       GLU  14  -3.143  -1.769  -3.838
  109   1HG   GLU  14          HG2       GLU  14  -3.976  -3.463  -5.145
  110   2HG   GLU  14          HG1       GLU  14  -3.454  -4.446  -3.777
  111    H    VAL  15           HN       VAL  15  -3.035  -0.382  -1.051
  112    HA   VAL  15           HA       VAL  15  -0.228   0.089  -1.709
  113    HB   VAL  15           HB       VAL  15  -2.304   1.610  -0.093
  114   1HG1  VAL  15          HG11      VAL  15   0.525   2.265  -0.891
  115   2HG1  VAL  15          HG12      VAL  15  -0.280   2.527   0.657
  116   3HG1  VAL  15          HG13      VAL  15  -0.668   3.553  -0.724
  117   1HG2  VAL  15          HG21      VAL  15  -3.139   2.074  -2.140
  118   2HG2  VAL  15          HG22      VAL  15  -1.796   1.251  -2.933
  119   3HG2  VAL  15          HG23      VAL  15  -1.646   2.948  -2.479
  120    H    LEU  16           HN       LEU  16  -2.034  -0.901   1.172
  121    HA   LEU  16           HA       LEU  16  -0.140  -0.341   3.208
  122   1HB   LEU  16          HB2       LEU  16  -2.501  -1.140   3.467
  123   2HB   LEU  16          HB1       LEU  16  -1.986  -2.738   2.927
  124    HG   LEU  16           HG       LEU  16  -0.232  -1.814   5.026
  125   1HD1  LEU  16          HD11      LEU  16  -3.191  -1.878   5.696
  126   2HD1  LEU  16          HD12      LEU  16  -2.158  -0.450   5.738
  127   3HD1  LEU  16          HD13      LEU  16  -1.879  -1.775   6.869
  128   1HD2  LEU  16          HD21      LEU  16  -0.672  -4.171   4.285
  129   2HD2  LEU  16          HD22      LEU  16  -2.285  -4.050   4.990
  130   3HD2  LEU  16          HD23      LEU  16  -0.861  -3.946   6.024
  131    H    SER  17           HN       SER  17  -0.564  -3.448   1.439
  132    HA   SER  17           HA       SER  17   1.826  -4.673   2.468
  133   1HB   SER  17          HB2       SER  17   0.005  -5.095   0.099
  134   2HB   SER  17          HB1       SER  17   1.438  -6.097   0.317
  135    HG   SER  17           HG       SER  17   0.145  -7.192   1.578
  136    H    ASP  18           HN       ASP  18   1.168  -2.689  -0.412
  137    HA   ASP  18           HA       ASP  18   3.717  -3.023  -1.698
  138   1HB   ASP  18          HB2       ASP  18   1.629  -2.118  -2.724
  139   2HB   ASP  18          HB1       ASP  18   1.782  -0.680  -1.714
  140    H    PHE  19           HN       PHE  19   2.533  -0.715   0.758
  141    HA   PHE  19           HA       PHE  19   4.654   1.133   0.837
  142   1HB   PHE  19          HB2       PHE  19   2.415   0.422   2.365
  143   2HB   PHE  19          HB1       PHE  19   3.765   0.265   3.484
  144    HD1  PHE  19           HD1      PHE  19   5.547   2.244   3.358
  145    HD2  PHE  19           HD2      PHE  19   1.452   2.532   2.090
  146    HE1  PHE  19           HE1      PHE  19   5.647   4.711   3.591
  147    HE2  PHE  19           HE2      PHE  19   1.554   4.998   2.324
  148    HZ   PHE  19           HZ       PHE  19   3.651   6.088   3.074
  149    H    LYS  20           HN       LYS  20   4.446  -2.090   2.350
  150    HA   LYS  20           HA       LYS  20   6.934  -2.037   3.764
  151   1HB   LYS  20          HB2       LYS  20   4.971  -3.660   3.925
  152   2HB   LYS  20          HB1       LYS  20   5.590  -4.421   2.458
  153   1HG   LYS  20          HG2       LYS  20   7.854  -4.510   3.777
  154   2HG   LYS  20          HG1       LYS  20   6.826  -4.316   5.196
  155   1HD   LYS  20          HD2       LYS  20   5.555  -6.300   4.624
  156   2HD   LYS  20          HD1       LYS  20   6.405  -6.451   3.086
  157   1HE   LYS  20          HE2       LYS  20   7.624  -7.962   4.383
  158   2HE   LYS  20          HE1       LYS  20   8.552  -6.480   4.687
  159   1HZ   LYS  20          HZ1       LYS  20   7.934  -7.533   6.774
  160   2HZ   LYS  20          HZ2       LYS  20   6.292  -7.491   6.340
  161   3HZ   LYS  20          HZ3       LYS  20   7.139  -6.043   6.614
  162    H    THR  21           HN       THR  21   6.143  -3.312   0.489
  163    HA   THR  21           HA       THR  21   8.908  -3.971  -0.135
  164    HB   THR  21           HB       THR  21   7.836  -4.087  -2.499
  165    HG1  THR  21           HG1      THR  21   6.069  -2.846  -2.313
  166   1HG2  THR  21          HG21      THR  21   6.836  -5.687  -0.137
  167   2HG2  THR  21          HG22      THR  21   8.155  -6.095  -1.233
  168   3HG2  THR  21          HG23      THR  21   6.490  -6.122  -1.811
  169    H    TRP  22           HN       TRP  22   6.842  -1.134  -0.640
  170    HA   TRP  22           HA       TRP  22   8.379   0.298  -2.554
  171   1HB   TRP  22          HB2       TRP  22   6.086   0.767  -1.433
  172   2HB   TRP  22          HB1       TRP  22   7.017   1.524  -0.147
  173    HD1  TRP  22           HD1      TRP  22   5.833   2.051  -3.684
  174    HE1  TRP  22           HE1      TRP  22   6.545   4.397  -4.487
  175    HE3  TRP  22           HE3      TRP  22   8.959   3.381   0.130
  176    HZ2  TRP  22           HZ2      TRP  22   8.216   6.551  -3.624
  177    HZ3  TRP  22           HZ3      TRP  22  10.096   5.582   0.115
  178    HH2  TRP  22           HH2      TRP  22   9.728   7.169  -1.755
  179    H    LEU  23           HN       LEU  23   8.555   0.384   1.016
  180    HA   LEU  23           HA       LEU  23  10.830   2.129   1.210
  181   1HB   LEU  23          HB2       LEU  23   9.218   0.335   2.911
  182   2HB   LEU  23          HB1       LEU  23  10.884   0.518   3.454
  183    HG   LEU  23           HG       LEU  23  10.408   3.086   2.994
  184   1HD1  LEU  23          HD11      LEU  23   8.128   2.595   2.069
  185   2HD1  LEU  23          HD12      LEU  23   8.101   3.706   3.438
  186   3HD1  LEU  23          HD13      LEU  23   7.651   2.017   3.666
  187   1HD2  LEU  23          HD21      LEU  23   9.799   3.324   5.352
  188   2HD2  LEU  23          HD22      LEU  23  10.977   2.022   5.182
  189   3HD2  LEU  23          HD23      LEU  23   9.269   1.642   5.411
  190    H    LYS  24           HN       LYS  24  10.542  -1.430   1.059
  191    HA   LYS  24           HA       LYS  24  13.324  -2.046   1.455
  192   1HB   LYS  24          HB2       LYS  24  11.329  -3.584   1.611
  193   2HB   LYS  24          HB1       LYS  24  11.217  -3.534  -0.149
  194   1HG   LYS  24          HG2       LYS  24  13.932  -4.127   0.698
  195   2HG   LYS  24          HG1       LYS  24  12.791  -5.288   1.379
  196   1HD   LYS  24          HD2       LYS  24  11.838  -5.649  -0.890
  197   2HD   LYS  24          HD1       LYS  24  13.044  -4.544  -1.551
  198   1HE   LYS  24          HE2       LYS  24  14.829  -6.059  -0.532
  199   2HE   LYS  24          HE1       LYS  24  13.530  -7.230  -0.226
  200   1HZ   LYS  24          HZ1       LYS  24  14.324  -6.067  -2.843
  201   2HZ   LYS  24          HZ2       LYS  24  12.897  -6.961  -2.611
  202   3HZ   LYS  24          HZ3       LYS  24  14.412  -7.695  -2.377
  203    H    ALA  25           HN       ALA  25  11.383  -1.397  -1.468
  204    HA   ALA  25           HA       ALA  25  13.494  -1.925  -3.377
  205   1HB   ALA  25          HB1       ALA  25  11.871  -0.473  -4.803
  206   2HB   ALA  25          HB2       ALA  25  10.855  -0.454  -3.361
  207   3HB   ALA  25          HB3       ALA  25  11.252  -1.985  -4.142
  208    H    LYS  26           HN       LYS  26  12.664   0.844  -1.380
  209    HA   LYS  26           HA       LYS  26  14.035   2.880  -2.900
  210   1HB   LYS  26          HB2       LYS  26  12.258   3.086  -1.068
  211   2HB   LYS  26          HB1       LYS  26  13.553   2.775   0.089
  212   1HG   LYS  26          HG2       LYS  26  13.480   5.128  -0.035
  213   2HG   LYS  26          HG1       LYS  26  14.806   4.696  -1.114
  214   1HD   LYS  26          HD2       LYS  26  13.621   5.232  -3.019
  215   2HD   LYS  26          HD1       LYS  26  12.064   4.839  -2.287
  216   1HE   LYS  26          HE2       LYS  26  12.105   6.894  -0.971
  217   2HE   LYS  26          HE1       LYS  26  13.736   7.272  -1.559
  218   1HZ   LYS  26          HZ1       LYS  26  12.954   7.440  -3.771
  219   2HZ   LYS  26          HZ2       LYS  26  11.870   8.347  -2.830
  220   3HZ   LYS  26          HZ3       LYS  26  11.434   6.798  -3.374
  221    H    LEU  27           HN       LEU  27  15.012   0.887  -0.075
  222    HA   LEU  27           HA       LEU  27  17.815   1.871  -0.394
  223   1HB   LEU  27          HB2       LEU  27  16.516   1.908   1.802
  224   2HB   LEU  27          HB1       LEU  27  16.618   0.147   1.792
  225    HG   LEU  27           HG       LEU  27  19.186   0.579   1.419
  226   1HD1  LEU  27          HD11      LEU  27  19.258   2.923   1.123
  227   2HD1  LEU  27          HD12      LEU  27  19.793   2.691   2.787
  228   3HD1  LEU  27          HD13      LEU  27  18.142   3.214   2.456
  229   1HD2  LEU  27          HD21      LEU  27  18.308  -0.514   3.407
  230   2HD2  LEU  27          HD22      LEU  27  17.750   1.028   4.055
  231   3HD2  LEU  27          HD23      LEU  27  19.477   0.705   3.914
  232    H    MET  28           HN       MET  28  19.152   0.591  -1.582
  233    HA   MET  28           HA       MET  28  18.909  -2.378  -1.349
  234   1HB   MET  28          HB2       MET  28  17.979  -0.828  -3.501
  235   2HB   MET  28          HB1       MET  28  19.513  -1.494  -4.062
  236   1HG   MET  28          HG2       MET  28  17.678  -3.355  -2.630
  237   2HG   MET  28          HG1       MET  28  17.208  -2.859  -4.254
  238   1HE   MET  28          HE1       MET  28  17.186  -4.840  -5.289
  239   2HE   MET  28          HE2       MET  28  17.740  -5.990  -4.074
  240   3HE   MET  28          HE3       MET  28  18.513  -5.950  -5.657
  241    HA   PRO  29           HA       PRO  29  23.275  -0.903  -1.068
  242   1HB   PRO  29          HB2       PRO  29  23.951  -2.466   1.071
  243   2HB   PRO  29          HB1       PRO  29  23.211  -0.865   1.237
  244   1HG   PRO  29          HG2       PRO  29  21.982  -3.554   1.491
  245   2HG   PRO  29          HG1       PRO  29  21.636  -2.065   2.382
  246   1HD   PRO  29          HD2       PRO  29  20.089  -3.049   0.330
  247   2HD   PRO  29          HD1       PRO  29  20.129  -1.346   0.836
  248    H    GLN  30           HN       GLN  30  25.293  -2.539  -0.748
  249    HA   GLN  30           HA       GLN  30  24.703  -5.045  -2.292
  250   1HB   GLN  30          HB2       GLN  30  25.738  -3.032  -3.525
  251   2HB   GLN  30          HB1       GLN  30  27.183  -3.327  -2.558
  252   1HG   GLN  30          HG2       GLN  30  27.661  -5.322  -3.621
  253   2HG   GLN  30          HG1       GLN  30  25.967  -5.659  -3.978
  254   1HE2  GLN  30          HE21      GLN  30  25.089  -4.842  -5.968
  255   2HE2  GLN  30          HE22      GLN  30  26.034  -4.033  -7.122
  256    H    LEU  31           HN       LEU  31  24.732  -6.144  -0.175
  257    HA   LEU  31           HA       LEU  31  27.517  -6.677   0.775
  258   1HB   LEU  31          HB2       LEU  31  25.196  -5.501   2.208
  259   2HB   LEU  31          HB1       LEU  31  26.080  -6.745   3.092
  260    HG   LEU  31           HG       LEU  31  27.655  -4.618   1.694
  261   1HD1  LEU  31          HD11      LEU  31  26.238  -4.248   4.353
  262   2HD1  LEU  31          HD12      LEU  31  25.901  -3.354   2.870
  263   3HD1  LEU  31          HD13      LEU  31  27.454  -3.157   3.685
  264   1HD2  LEU  31          HD21      LEU  31  28.707  -6.563   2.869
  265   2HD2  LEU  31          HD22      LEU  31  27.966  -6.013   4.373
  266   3HD2  LEU  31          HD23      LEU  31  29.173  -5.011   3.567
  Start of MODEL   51
    1   1H    SER   1           HT1      SER   1 -20.016   5.959   9.447
    2   2H    SER   1           HT2      SER   1 -18.564   5.337  10.074
    3   3H    SER   1           HT3      SER   1 -19.485   4.416   8.984
    4    HA   SER   1           HA       SER   1 -18.091   6.975   8.353
    5   1HB   SER   1          HB2       SER   1 -17.549   4.129   7.451
    6   2HB   SER   1          HB1       SER   1 -16.533   5.542   7.182
    7    HG   SER   1           HG       SER   1 -15.727   4.408   8.929
    8    H    GLY   2           HN       GLY   2 -19.499   4.049   6.801
    9   1HA   GLY   2          HA2       GLY   2 -21.639   4.796   5.430
   10   2HA   GLY   2          HA1       GLY   2 -20.444   5.762   4.563
   11    H    SER   3           HN       SER   3 -21.115   4.420   2.669
   12    HA   SER   3           HA       SER   3 -20.024   1.633   2.717
   13   1HB   SER   3          HB2       SER   3 -21.441   1.375   0.704
   14   2HB   SER   3          HB1       SER   3 -22.379   1.995   2.060
   15    HG   SER   3           HG       SER   3 -22.347   3.055  -0.227
   16    H    TRP   4           HN       TRP   4 -18.491   4.328   2.324
   17    HA   TRP   4           HA       TRP   4 -17.396   3.845  -0.413
   18   1HB   TRP   4          HB2       TRP   4 -18.217   6.119   0.831
   19   2HB   TRP   4          HB1       TRP   4 -16.506   6.139   1.257
   20    HD1  TRP   4           HD1      TRP   4 -18.008   4.848  -2.047
   21    HE1  TRP   4           HE1      TRP   4 -17.007   6.218  -3.985
   22    HE3  TRP   4           HE3      TRP   4 -15.313   8.284   0.601
   23    HZ2  TRP   4           HZ2      TRP   4 -15.292   8.478  -4.365
   24    HZ3  TRP   4           HZ3      TRP   4 -14.007  10.032  -0.572
   25    HH2  TRP   4           HH2      TRP   4 -13.993  10.133  -3.049
   26    H    LEU   5           HN       LEU   5 -16.483   3.874   3.023
   27    HA   LEU   5           HA       LEU   5 -13.657   3.766   2.792
   28   1HB   LEU   5          HB2       LEU   5 -15.604   3.574   4.779
   29   2HB   LEU   5          HB1       LEU   5 -14.799   2.008   4.844
   30    HG   LEU   5           HG       LEU   5 -13.617   3.494   6.333
   31   1HD1  LEU   5          HD11      LEU   5 -12.002   3.384   3.770
   32   2HD1  LEU   5          HD12      LEU   5 -12.268   1.985   4.811
   33   3HD1  LEU   5          HD13      LEU   5 -11.389   3.384   5.425
   34   1HD2  LEU   5          HD21      LEU   5 -14.373   5.636   5.460
   35   2HD2  LEU   5          HD22      LEU   5 -13.502   5.370   3.950
   36   3HD2  LEU   5          HD23      LEU   5 -12.610   5.617   5.452
   37    H    ARG   6           HN       ARG   6 -16.085   1.173   2.484
   38    HA   ARG   6           HA       ARG   6 -14.398  -1.103   2.430
   39   1HB   ARG   6          HB2       ARG   6 -16.737  -1.441   2.465
   40   2HB   ARG   6          HB1       ARG   6 -17.012  -0.309   1.143
   41   1HG   ARG   6          HG2       ARG   6 -15.335  -2.699   0.533
   42   2HG   ARG   6          HG1       ARG   6 -17.059  -2.977   0.784
   43   1HD   ARG   6          HD2       ARG   6 -17.447  -1.032  -0.870
   44   2HD   ARG   6          HD1       ARG   6 -15.738  -1.221  -1.299
   45    HE   ARG   6           HE       ARG   6 -16.724  -3.812  -1.379
   46   1HH1  ARG   6          HH21      ARG   6 -19.356  -2.618  -2.125
   47   2HH1  ARG   6          HH22      ARG   6 -19.240  -2.499  -3.847
   48   1HH2  ARG   6          HH11      ARG   6 -15.785  -2.875  -3.901
   49   2HH2  ARG   6          HH12      ARG   6 -17.211  -2.652  -4.859
   50    H    ASP   7           HN       ASP   7 -15.285   1.148  -0.196
   51    HA   ASP   7           HA       ASP   7 -13.722  -0.268  -2.222
   52   1HB   ASP   7          HB2       ASP   7 -15.610   1.944  -1.968
   53   2HB   ASP   7          HB1       ASP   7 -14.297   2.341  -3.071
   54    H    ILE   8           HN       ILE   8 -13.300   2.639  -0.200
   55    HA   ILE   8           HA       ILE   8 -10.842   3.558  -1.392
   56    HB   ILE   8           HB       ILE   8 -12.107   3.886   1.351
   57   1HG1  ILE   8          HG12      ILE   8 -11.919   5.957  -0.831
   58   2HG1  ILE   8          HG11      ILE   8 -13.201   4.745  -0.865
   59   1HG2  ILE   8          HG21      ILE   8  -9.833   4.438   1.712
   60   2HG2  ILE   8          HG22      ILE   8 -10.601   5.987   1.366
   61   3HG2  ILE   8          HG23      ILE   8  -9.667   5.167   0.115
   62   1HD1  ILE   8          HD11      ILE   8 -12.962   7.114   0.802
   63   2HD1  ILE   8          HD12      ILE   8 -13.165   5.663   1.782
   64   3HD1  ILE   8          HD13      ILE   8 -14.357   6.066   0.547
   65    H    TRP   9           HN       TRP   9 -11.453   1.624   1.574
   66    HA   TRP   9           HA       TRP   9  -8.727   1.147   2.272
   67   1HB   TRP   9          HB2       TRP   9 -10.693   0.765   3.725
   68   2HB   TRP   9          HB1       TRP   9 -11.224  -0.542   2.670
   69    HD1  TRP   9           HD1      TRP   9 -10.769  -2.727   3.882
   70    HE1  TRP   9           HE1      TRP   9  -8.781  -3.750   5.164
   71    HE3  TRP   9           HE3      TRP   9  -7.563   1.252   3.865
   72    HZ2  TRP   9           HZ2      TRP   9  -6.175  -2.985   6.061
   73    HZ3  TRP   9           HZ3      TRP   9  -5.338   1.075   4.938
   74    HH2  TRP   9           HH2      TRP   9  -4.640  -1.035   6.036
   75    H    ASP  10           HN       ASP  10 -10.916  -0.517   0.022
   76    HA   ASP  10           HA       ASP  10  -9.359  -2.853  -0.500
   77   1HB   ASP  10          HB2       ASP  10 -11.726  -2.403  -1.165
   78   2HB   ASP  10          HB1       ASP  10 -11.145  -1.231  -2.347
   79    H    TRP  11           HN       TRP  11  -9.414   0.320  -2.176
   80    HA   TRP  11           HA       TRP  11  -7.277  -0.311  -4.018
   81   1HB   TRP  11          HB2       TRP  11  -8.933   1.455  -4.414
   82   2HB   TRP  11          HB1       TRP  11  -8.410   2.306  -2.959
   83    HD1  TRP  11           HD1      TRP  11  -7.027   1.202  -6.389
   84    HE1  TRP  11           HE1      TRP  11  -5.171   2.848  -7.079
   85    HE3  TRP  11           HE3      TRP  11  -6.828   4.110  -2.198
   86    HZ2  TRP  11           HZ2      TRP  11  -3.784   5.108  -5.998
   87    HZ3  TRP  11           HZ3      TRP  11  -5.231   6.000  -2.054
   88    HH2  TRP  11           HH2      TRP  11  -3.710   6.501  -3.946
   89    H    ILE  12           HN       ILE  12  -7.395   1.314  -0.836
   90    HA   ILE  12           HA       ILE  12  -4.649   2.106  -0.689
   91    HB   ILE  12           HB       ILE  12  -6.793   1.384   1.328
   92   1HG1  ILE  12          HG12      ILE  12  -5.430   4.025   0.720
   93   2HG1  ILE  12          HG11      ILE  12  -6.914   3.496  -0.073
   94   1HG2  ILE  12          HG21      ILE  12  -5.193   2.530   2.995
   95   2HG2  ILE  12          HG22      ILE  12  -3.924   2.211   1.812
   96   3HG2  ILE  12          HG23      ILE  12  -4.811   0.870   2.538
   97   1HD1  ILE  12          HD11      ILE  12  -6.517   3.945   2.901
   98   2HD1  ILE  12          HD12      ILE  12  -7.978   3.266   2.183
   99   3HD1  ILE  12          HD13      ILE  12  -7.501   4.922   1.810
  100    H    CYS  13           HN       CYS  13  -6.292  -0.965   0.043
  101    HA   CYS  13           HA       CYS  13  -4.053  -2.316   1.251
  102   1HB   CYS  13          HB2       CYS  13  -6.516  -2.943   1.278
  103   2HB   CYS  13          HB1       CYS  13  -6.326  -3.481  -0.390
  104    HG   CYS  13           HG       CYS  13  -4.757  -4.774   1.992
  105    H    GLU  14           HN       GLU  14  -5.165  -1.943  -2.116
  106    HA   GLU  14           HA       GLU  14  -3.331  -3.762  -3.360
  107   1HB   GLU  14          HB2       GLU  14  -5.434  -2.251  -4.132
  108   2HB   GLU  14          HB1       GLU  14  -4.125  -1.224  -4.709
  109   1HG   GLU  14          HG2       GLU  14  -3.643  -4.025  -5.353
  110   2HG   GLU  14          HG1       GLU  14  -5.169  -3.455  -6.027
  111    H    VAL  15           HN       VAL  15  -3.154  -0.260  -2.777
  112    HA   VAL  15           HA       VAL  15  -0.450   0.066  -3.782
  113    HB   VAL  15           HB       VAL  15  -2.126   1.734  -1.867
  114   1HG1  VAL  15          HG11      VAL  15   0.527   2.110  -3.146
  115   2HG1  VAL  15          HG12      VAL  15  -0.116   2.805  -1.657
  116   3HG1  VAL  15          HG13      VAL  15  -0.563   3.496  -3.217
  117   1HG2  VAL  15          HG21      VAL  15  -2.230   1.258  -4.765
  118   2HG2  VAL  15          HG22      VAL  15  -2.108   2.967  -4.348
  119   3HG2  VAL  15          HG23      VAL  15  -3.432   1.996  -3.706
  120    H    LEU  16           HN       LEU  16  -1.866  -0.607  -0.595
  121    HA   LEU  16           HA       LEU  16   0.375  -0.155   1.082
  122   1HB   LEU  16          HB2       LEU  16  -1.898  -0.599   1.872
  123   2HB   LEU  16          HB1       LEU  16  -1.850  -2.221   1.183
  124    HG   LEU  16           HG       LEU  16   0.118  -2.709   2.697
  125   1HD1  LEU  16          HD11      LEU  16   0.365  -1.191   4.666
  126   2HD1  LEU  16          HD12      LEU  16  -0.738  -0.054   3.892
  127   3HD1  LEU  16          HD13      LEU  16   0.822  -0.414   3.151
  128   1HD2  LEU  16          HD21      LEU  16  -2.024  -3.564   3.346
  129   2HD2  LEU  16          HD22      LEU  16  -2.584  -1.968   3.846
  130   3HD2  LEU  16          HD23      LEU  16  -1.349  -2.804   4.788
  131    H    SER  17           HN       SER  17  -0.473  -3.014  -0.891
  132    HA   SER  17           HA       SER  17   1.518  -4.816   0.068
  133   1HB   SER  17          HB2       SER  17  -0.270  -4.486  -2.230
  134   2HB   SER  17          HB1       SER  17   1.236  -5.280  -2.675
  135    HG   SER  17           HG       SER  17  -0.722  -6.048  -0.797
  136    H    ASP  18           HN       ASP  18   1.667  -2.373  -2.543
  137    HA   ASP  18           HA       ASP  18   4.476  -2.900  -3.148
  138   1HB   ASP  18          HB2       ASP  18   3.006  -2.027  -4.860
  139   2HB   ASP  18          HB1       ASP  18   2.506  -0.691  -3.823
  140    H    PHE  19           HN       PHE  19   2.675  -0.394  -1.334
  141    HA   PHE  19           HA       PHE  19   4.811   1.311  -0.614
  142   1HB   PHE  19          HB2       PHE  19   2.086   0.820   0.083
  143   2HB   PHE  19          HB1       PHE  19   2.993   0.940   1.587
  144    HD1  PHE  19           HD1      PHE  19   3.733   3.038   2.396
  145    HD2  PHE  19           HD2      PHE  19   2.385   2.668  -1.666
  146    HE1  PHE  19           HE1      PHE  19   3.831   5.502   2.139
  147    HE2  PHE  19           HE2      PHE  19   2.483   5.132  -1.923
  148    HZ   PHE  19           HZ       PHE  19   3.207   6.550  -0.021
  149    H    LYS  20           HN       LYS  20   3.676  -1.688   0.967
  150    HA   LYS  20           HA       LYS  20   5.450  -1.676   3.203
  151   1HB   LYS  20          HB2       LYS  20   3.823  -3.638   1.647
  152   2HB   LYS  20          HB1       LYS  20   5.053  -4.305   2.718
  153   1HG   LYS  20          HG2       LYS  20   4.064  -2.661   4.489
  154   2HG   LYS  20          HG1       LYS  20   2.662  -2.613   3.420
  155   1HD   LYS  20          HD2       LYS  20   3.563  -5.346   3.811
  156   2HD   LYS  20          HD1       LYS  20   3.233  -4.567   5.359
  157   1HE   LYS  20          HE2       LYS  20   1.028  -3.746   4.208
  158   2HE   LYS  20          HE1       LYS  20   1.345  -5.060   3.059
  159   1HZ   LYS  20          HZ1       LYS  20   0.133  -6.050   4.792
  160   2HZ   LYS  20          HZ2       LYS  20   1.013  -5.242   5.999
  161   3HZ   LYS  20          HZ3       LYS  20   1.743  -6.486   5.100
  162    H    THR  21           HN       THR  21   5.840  -3.055  -0.087
  163    HA   THR  21           HA       THR  21   8.520  -4.080   0.430
  164    HB   THR  21           HB       THR  21   7.270  -3.420  -2.252
  165    HG1  THR  21           HG1      THR  21   5.725  -4.718  -1.711
  166   1HG2  THR  21          HG21      THR  21   8.492  -5.469  -2.930
  167   2HG2  THR  21          HG22      THR  21   9.117  -5.623  -1.288
  168   3HG2  THR  21          HG23      THR  21   9.579  -4.240  -2.283
  169    H    TRP  22           HN       TRP  22   7.179  -1.146  -1.099
  170    HA   TRP  22           HA       TRP  22   9.583   0.007  -2.090
  171   1HB   TRP  22          HB2       TRP  22   7.040   0.668  -2.230
  172   2HB   TRP  22          HB1       TRP  22   7.386   1.604  -0.781
  173    HD1  TRP  22           HD1      TRP  22   7.970   1.535  -4.505
  174    HE1  TRP  22           HE1      TRP  22   9.209   3.682  -5.218
  175    HE3  TRP  22           HE3      TRP  22   9.163   3.425   0.085
  176    HZ2  TRP  22           HZ2      TRP  22  10.532   5.908  -3.997
  177    HZ3  TRP  22           HZ3      TRP  22  10.410   5.557   0.283
  178    HH2  TRP  22           HH2      TRP  22  11.096   6.799  -1.751
  179    H    LEU  23           HN       LEU  23   7.970   0.482   1.067
  180    HA   LEU  23           HA       LEU  23  10.059   2.103   2.227
  181   1HB   LEU  23          HB2       LEU  23   7.570   0.730   3.024
  182   2HB   LEU  23          HB1       LEU  23   8.748   0.880   4.326
  183    HG   LEU  23           HG       LEU  23   8.913   3.373   3.298
  184   1HD1  LEU  23          HD11      LEU  23   6.028   2.525   2.890
  185   2HD1  LEU  23          HD12      LEU  23   7.172   2.881   1.595
  186   3HD1  LEU  23          HD13      LEU  23   6.669   4.158   2.702
  187   1HD2  LEU  23          HD21      LEU  23   6.659   2.609   5.169
  188   2HD2  LEU  23          HD22      LEU  23   7.632   4.079   5.183
  189   3HD2  LEU  23          HD23      LEU  23   8.351   2.543   5.663
  190    H    LYS  24           HN       LYS  24   9.447  -1.411   2.174
  191    HA   LYS  24           HA       LYS  24  11.386  -2.237   4.097
  192   1HB   LYS  24          HB2       LYS  24   9.597  -3.623   3.053
  193   2HB   LYS  24          HB1       LYS  24  10.478  -3.579   1.526
  194   1HG   LYS  24          HG2       LYS  24  12.470  -4.522   2.923
  195   2HG   LYS  24          HG1       LYS  24  11.227  -4.958   4.096
  196   1HD   LYS  24          HD2       LYS  24  10.100  -5.825   1.744
  197   2HD   LYS  24          HD1       LYS  24  11.813  -6.134   1.456
  198   1HE   LYS  24          HE2       LYS  24  10.832  -6.925   4.147
  199   2HE   LYS  24          HE1       LYS  24  10.198  -7.877   2.790
  200   1HZ   LYS  24          HZ1       LYS  24  12.444  -8.178   1.972
  201   2HZ   LYS  24          HZ2       LYS  24  12.339  -8.740   3.571
  202   3HZ   LYS  24          HZ3       LYS  24  13.070  -7.243   3.242
  203    H    ALA  25           HN       ALA  25  11.710  -1.426   0.647
  204    HA   ALA  25           HA       ALA  25  14.488  -2.281   0.430
  205   1HB   ALA  25          HB1       ALA  25  12.958  -2.202  -1.479
  206   2HB   ALA  25          HB2       ALA  25  14.285  -1.073  -1.754
  207   3HB   ALA  25          HB3       ALA  25  12.709  -0.472  -1.239
  208    H    LYS  26           HN       LYS  26  12.854   0.695   1.390
  209    HA   LYS  26           HA       LYS  26  15.303   2.326   1.164
  210   1HB   LYS  26          HB2       LYS  26  12.656   2.844   0.930
  211   2HB   LYS  26          HB1       LYS  26  12.883   3.259   2.629
  212   1HG   LYS  26          HG2       LYS  26  13.639   5.262   1.910
  213   2HG   LYS  26          HG1       LYS  26  15.087   4.409   1.375
  214   1HD   LYS  26          HD2       LYS  26  13.599   3.868  -0.748
  215   2HD   LYS  26          HD1       LYS  26  12.713   5.299  -0.224
  216   1HE   LYS  26          HE2       LYS  26  14.290   6.487  -1.365
  217   2HE   LYS  26          HE1       LYS  26  15.379   6.093  -0.021
  218   1HZ   LYS  26          HZ1       LYS  26  16.377   5.306  -2.034
  219   2HZ   LYS  26          HZ2       LYS  26  14.952   4.508  -2.502
  220   3HZ   LYS  26          HZ3       LYS  26  15.842   3.952  -1.164
  221    H    LEU  27           HN       LEU  27  13.251   0.968   3.769
  222    HA   LEU  27           HA       LEU  27  15.548   1.371   5.654
  223   1HB   LEU  27          HB2       LEU  27  13.903   2.094   7.347
  224   2HB   LEU  27          HB1       LEU  27  13.824   3.131   5.925
  225    HG   LEU  27           HG       LEU  27  12.048   0.848   5.635
  226   1HD1  LEU  27          HD11      LEU  27  11.594   2.673   8.015
  227   2HD1  LEU  27          HD12      LEU  27  11.962   0.949   8.097
  228   3HD1  LEU  27          HD13      LEU  27  10.438   1.494   7.393
  229   1HD2  LEU  27          HD21      LEU  27  11.347   3.779   5.903
  230   2HD2  LEU  27          HD22      LEU  27  10.501   2.540   4.974
  231   3HD2  LEU  27          HD23      LEU  27  12.079   3.119   4.440
  232    H    MET  28           HN       MET  28  15.807  -0.302   7.190
  233    HA   MET  28           HA       MET  28  13.824  -2.355   7.671
  234   1HB   MET  28          HB2       MET  28  14.361  -2.975   5.393
  235   2HB   MET  28          HB1       MET  28  16.087  -2.916   5.728
  236   1HG   MET  28          HG2       MET  28  16.062  -4.907   6.926
  237   2HG   MET  28          HG1       MET  28  14.366  -4.731   7.379
  238   1HE   MET  28          HE1       MET  28  15.693  -7.726   4.707
  239   2HE   MET  28          HE2       MET  28  15.256  -7.593   6.408
  240   3HE   MET  28          HE3       MET  28  16.654  -6.714   5.794
  241    HA   PRO  29           HA       PRO  29  17.889  -3.684   9.825
  242   1HB   PRO  29          HB2       PRO  29  20.197  -2.318   9.281
  243   2HB   PRO  29          HB1       PRO  29  19.683  -3.751   8.373
  244   1HG   PRO  29          HG2       PRO  29  19.441  -0.871   7.658
  245   2HG   PRO  29          HG1       PRO  29  19.850  -2.257   6.634
  246   1HD   PRO  29          HD2       PRO  29  17.388  -1.114   6.670
  247   2HD   PRO  29          HD1       PRO  29  17.659  -2.831   6.307
  248    H    GLN  30           HN       GLN  30  19.611  -2.428  11.399
  249    HA   GLN  30           HA       GLN  30  19.809  -0.901  13.186
  250   1HB   GLN  30          HB2       GLN  30  19.762   0.445  10.787
  251   2HB   GLN  30          HB1       GLN  30  18.472   1.258  11.672
  252   1HG   GLN  30          HG2       GLN  30  19.949   1.817  13.482
  253   2HG   GLN  30          HG1       GLN  30  21.222   0.777  12.843
  254   1HE2  GLN  30          HE21      GLN  30  22.611   1.654  11.229
  255   2HE2  GLN  30          HE22      GLN  30  22.445   3.226  10.610
  256    H    LEU  31           HN       LEU  31  17.754  -2.481  13.731
  257    HA   LEU  31           HA       LEU  31  15.742  -2.648  14.936
  258   1HB   LEU  31          HB2       LEU  31  17.073  -0.684  16.040
  259   2HB   LEU  31          HB1       LEU  31  15.876   0.350  15.264
  260    HG   LEU  31           HG       LEU  31  14.339  -1.668  16.405
  261   1HD1  LEU  31          HD11      LEU  31  15.104  -1.772  18.751
  262   2HD1  LEU  31          HD12      LEU  31  16.541  -0.842  18.323
  263   3HD1  LEU  31          HD13      LEU  31  16.309  -2.461  17.663
  264   1HD2  LEU  31          HD21      LEU  31  13.845   0.758  16.345
  265   2HD2  LEU  31          HD22      LEU  31  15.087   1.037  17.566
  266   3HD2  LEU  31          HD23      LEU  31  13.645   0.106  17.972