*HEADER    MEMBRANE PROTEIN                        21-OCT-03   1R7F              
*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 43 STRUCTURES. SAMPLE IN 100MM SDS)                     
*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, 43 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 1R7F    0                                                

!
! NS5A Nter sds + dtt, 40C pH 6 
!
! 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  )  3.9 2.1 0.39
assign (resid 3 and name HN        )(resid 3 and name HB2  )  3.9 2.1 0.39
assign (resid 3 and name HN        )(resid 4 and name HN  )  2.8 1 0.28
assign (resid 3 and name HA        )(resid 3 and name HB1  )  2.8 1 0.28
assign (resid 3 and name HA        )(resid 3 and name HB2  )  2.8 1 0.28
assign (resid 3 and name HB1        )(resid 3 and name HB2  )  2.8 1 0.28
assign (resid 3 and name HB1        )(resid 4 and name HN  )  3.9 2.1 0.39
assign (resid 3 and name HB2        )(resid 4 and name HN  )  3.9 2.1 0.39
!
! 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  )  3.9 2.1 0.39
assign (resid 4 and name HN        )(resid 4 and name HB2  )  3.9 2.1 0.39
assign (resid 4 and name HN        )(resid 5 and name HN  )  3.9 2.1 0.39
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  )  2.8 1 0.28
assign (resid 4 and name HA        )(resid 5 and name HN  )  2.8 1 0.28
assign (resid 4 and name HA        )(resid 6 and name HN  )  3.9 2.1 0.39
assign (resid 4 and name HB1        )(resid 5 and name HN  )  3.9 2.1 0.39
assign (resid 4 and name HB2        )(resid 5 and name HN  )  3.9 2.1 0.39
assign (resid 4 and name HB1        )(resid 6 and name HN  )  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 6 and name HN  )  5.0 3.2 0.5
assign (resid 4 and name HB2        )(resid 4 and name HD1  )  3.9 2.1 0.39
assign (resid 4 and name HE3        )(resid 5 and name HA  )  3.9 2.1 0.39
assign (resid 4 and name HE3        )(resid 5 and name HB#  )  5.0 3.2 1.5
assign (resid 4 and name HE3        )(resid 8 and name HG11  )  5.0 3.2 0.5
assign (resid 4 and name HE3        )(resid 8 and name HG2#  )  3.9 2.1 1.39
!
! 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 HB#  )  3.9 2.1 1.39
assign (resid 5 and name HN        )(resid 5 and name HD1#  )  3.9 2.1 1.39
assign (resid 5 and name HN        )(resid 5 and name HD2#  )  3.9 2.1 1.39
assign (resid 5 and name HA        )(resid 5 and name HB#  )  2.8 1 1.28
assign (resid 5 and name HA        )(resid 6 and name HN  )  3.9 2.1 0.39
ssign (resid 5 and name HA        )(resid 5 and name HD1#  )  3.9 1 1.39
assign (resid 5 and name HA        )(resid 5 and name HD2#  )  3.9 1 1.39
assign (resid 5 and name HB#        )(resid 6 and name HN  )  3.9 2.1 1.39
assign (resid 5 and name HD1#        )(resid 6 and name HN  )  5.0 3.2 1.5
assign (resid 5 and name HD2#        )(resid 6 and name HN  )  5.0 3.2 1.5
assign (resid 5 and name HA        )(resid 8 and name HN  )  2.8 1 0.28 
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  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 6 and name HB1  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 6 and name HB2  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 6 and name HG#  )  5.0 2.1 1.50
assign (resid 6 and name HN        )(resid 7 and name HN  )  3.9 2.1 0.39 
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  )  3.9 2.1 0.39
assign (resid 6 and name HA        )(resid 6 and name HG#  )  3.9 2.1 1.39
assign (resid 6 and name HA        )(resid 6 and name HD#  )  5.0 3.2 1.5
assign (resid 6 and name HA        )(resid 7 and name HN  )  3.9 2.1 0.39 
assign (resid 6 and name HA        )(resid 9 and name HB#  ) 3.9 2.1 1.39
assign (resid 6 and name HA        )(resid 9 and name HE3  )  5.0 3.2 0.5
assign (resid 6 and name HB1        )(resid 7 and name HN  ) 3.9 2.1 0.39  
assign (resid 6 and name HB2        )(resid 7 and name HN  ) 3.9 2.1 0.39 
assign (resid 6 and name HD#        )(resid 6 and name HB1  )  5.0 3.2 1.5
assign (resid 6 and name HD#        )(resid 6 and name HB2  )  5.0 3.2 1.5
assign (resid 6 and name HD#        )(resid 6 and name HG#  )  5.0 3.2 2.5
!
! 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  ) 3.9 2.1 0.39 
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  )  2.8 1 0.28  
assign (resid 7 and name HA        )(resid 7 and name HB2  ) 2.8 1 0.28 
assign (resid 7 and name HA        )(resid 9 and name HN  )  3.9 2.1 0.39 
assign (resid 7 and name HA        )(resid 10 and name HN  )  3.9 2.1 0.39
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  ) 3.9 2.1 0.39
assign (resid 7 and name HB1        )(resid 7 and name HB2  ) 2.8 1 0.28 
assign (resid 7 and name HB1        )(resid 8 and name HN  )  3.9 2.1 0.39
assign (resid 7 and name HB1        )(resid 8 and name HN  )  3.9 2.1 0.39
!
! ILE 8
!
assign (resid 8 and name HN        )(resid 8 and name HA  )  3.9 2.1 0.39
assign (resid 8 and name HN        )(resid 8 and name HB  )  3.9 2.1 0.39
assign (resid 8 and name HN        )(resid 8 and name HG11  )  3.9 2.1 0.39
assign (resid 8 and name HN        )(resid 8 and name HG12  )  5.0 3.2 0.5
assign (resid 8 and name HN        )(resid 8 and name HG2#  )  5.0 3.2 1.5
assign (resid 8 and name HN        )(resid 9 and name HN  )  2.8 1 0.28
assign (resid 8 and name HA        )(resid 8 and name HB  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 8 and name HG11  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 8 and name HG12  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 8 and name HG2#  )  5.0 3.2 1.5
assign (resid 8 and name HA        )(resid 9 and name HN  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 10 and name HN  ) 5.0 3.2 0.5 
assign (resid 8 and name HA        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 11 and name HB1  ) 3.9 2.1 0.39 
assign (resid 8 and name HA        )(resid 11 and name HB2  ) 3.9 2.1 0.39 
assign (resid 8 and name HB        )(resid 9 and name HN  )  3.9 2.1 0.39
assign (resid 8 and name HG11        )(resid 9 and name HA  )  5.0 3.2 0.5
assign (resid 8 and name HG12        )(resid 11 and name HD1#  )  5.0 3.2 1.5
assign (resid 8 and name HG2#        )(resid 9 and name HN  )  5.0 3.2 1.5
assign (resid 8 and name HG2#        )(resid 9 and name HA  )  3.9 2.1 1.39
!
! 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#  ) 3.9 1 1.39 
assign (resid 9 and name HN        )(resid 10 and name HN  )  2.8 1 0.28
assign (resid 9 and name HA        )(resid 9 and name HB#  )  2.8 1 1.28
assign (resid 9 and name HA        )(resid 9 and name HD1  )  5.0 3.2 0.5
assign (resid 9 and name HA        )(resid 10 and name HN  )  3.9 3.2 0.39
assign (resid 9 and name HA        )(resid 12 and name HN  )  3.9 2.1 0.39
assign (resid 9 and name HA        )(resid 12 and name HB  )  2.8 2.1 0.28 
assign (resid 9 and name HB#        )(resid 10 and name HN  )  3.9 1 1.39
assign (resid 9 and name HB#        )(resid 12 and name HN  )  3.9 1 1.39 
assign (resid 9 and name HB#        )(resid 9 and name HD1  )  2.8 1 1.28
assign (resid 9 and name HB#        )(resid 9 and name HE3  )  2.8 1 1.28
!
! ASP 10
!
assign (resid 10 and name HN        )(resid 10 and name HA  )  3.9 2.1 0.39
assign (resid 10 and name HN        )(resid 10 and name HB1  )  3.9 2.1 0.39
assign (resid 10 and name HN        )(resid 10 and name HB2  )  3.9 2.1 0.39
assign (resid 10 and name HN        )(resid 11 and name HN  )  2.8 1 0.28
assign (resid 10 and name HA        )(resid 10 and name HB1  )  2.8 1 0.28
assign (resid 10 and name HA        )(resid 10 and name HB2  )  2.8 1 0.28
assign (resid 10 and name HA        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 13 and name HB1  )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 13 and name HB2  )  3.9 2.1 0.39
assign (resid 10 and name HB1        )(resid 10 and name HB2  )  2.8 1 0.28
assign (resid 10 and name HB1        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 10 and name HB2        )(resid 11 and name HN  )  3.9 2.1 0.39
!
!
! TRP 11
!
assign (resid 11 and name HN        )(resid 11 and name HA  )  3.9 2.1 0.39
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  )  3.9 2.1 0.39
assign (resid 11 and name HN        )(resid 12 and name HN  )  2.8 1 0.28
assign (resid 11 and name HA        )(resid 11 and name HB1  )  2.8 1 0.28
assign (resid 11 and name HA        )(resid 11 and name HB2  )  2.8 1 0.28
assign (resid 11 and name HA        )(resid 11 and name HE3  )  5.0 3.2 0.5
assign (resid 11 and name HA        )(resid 12 and name HN  )  5.0 3.2 0.5
assign (resid 11 and name HA        )(resid 14 and name HN  )  3.9 2.1 0.39 
assign (resid 11 and name HA        )(resid 14 and name HB1  )  3.9 2.1 0.39 
assign (resid 11 and name HB1        )(resid 11 and name HB2  )  2.8 1 0.28
assign (resid 11 and name HB1        )(resid 11 and name HE3  )  5.0 3.2 0.5
assign (resid 11 and name HB1        )(resid 12 and name HN  )  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 12 and name HN  )  3.9 2.1 0.39
assign (resid 11 and name HB2        )(resid 11 and name HD1  )  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 HD1        )(resid 12 and name HA  )  5.0 3.2 0.5
assign (resid 11 and name HD1        )(resid 12 and name HB  )  5.0 3.2 0.5
assign (resid 11 and name HD1        )(resid 12 and name HG11  )  5.0 3.2 0.5
assign (resid 11 and name HD1        )(resid 12 and name HG2#  )  5.0 3.2 1.5
assign (resid 11 and name HZ3        )(resid 12 and name HD1#  )  3.9 2.1 1.39
assign (resid 11 and name HZ3        )(resid 12 and name HD2#  )  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 HG1#  )  3.9 2.1 1.39
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 HN        )(resid 13 and name HN  )  2.8 1 0.28
assign (resid 12 and name HA        )(resid 12 and name HB  )  2.8 1 0.28
assign (resid 12 and name HA        )(resid 12 and name HG1#  )  3.9 1 1.39
assign (resid 12 and name HA        )(resid 12 and name HG2#  )  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 12 and name HD1#  )  3.9 2.1 1.39
assign (resid 12 and name HA        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HA        )(resid 15 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HA        )(resid 15 and name HB  )  3.9 2.1 0.39
assign (resid 12 and name HA        )(resid 15 and name HG1#  )  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 15 and name HG2#  )  3.9 1 1.39
assign (resid 12 and name HA        )(resid 16 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HB        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HD#        )(resid 13 and name HA  )  5.0 3.2 1.5
assign (resid 12 and name HB        )(resid 12 and name HG2#  )  2.8 1 1.28
assign (resid 12 and name HB        )(resid 12 and name HD1#  )  2.8 1 1.28
assign (resid 12 and name HG1        )(resid 12 and name HG2#  )  2.8 1 1.28
assign (resid 12 and name HG1        )(resid 12 and name HD1#  )  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  )  2.8 1 0.28
assign (resid 13 and name HN        )(resid 14 and name HN  )  2.8 1 0.28
assign (resid 13 and name HA        )(resid 13 and name HB1  )  3.9 2.1 0.39
assign (resid 13 and name HA        )(resid 13 and name HB2  )  3.9 2.1 0.39
assign (resid 13 and name HA        )(resid 14 and name HN  )  3.9 2.1 0.39 
assign (resid 13 and name HA        )(resid 16 and name HN  )  3.9 2.1 0.39 
assign (resid 13 and name HA        )(resid 16 and name HB1  ) 3.9 2.1 0.39 
assign (resid 13 and name HA        )(resid 16 and name HB2  ) 3.9 2.1 0.39 
assign (resid 13 and name HB1        )(resid 13 and name HB2  )  2.8 1 0.28
assign (resid 13 and name HB1        )(resid 14 and name HN  )  3.9 2.1 0.39 
assign (resid 13 and name HB2        )(resid 14 and name HN  )  3.9 2.1 0.39 
!
! GLU 14
!
assign (resid 14 and name HN        )(resid 14 and name HA  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 14 and name HB1  )  3.9 2.1 0.39 
assign (resid 14 and name HN        )(resid 14 and name HB2  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 14 and name HG#  )  5.0 3.2 1.5
assign (resid 14 and name HN        )(resid 15 and name HN  )  2.8 1 0.28
assign (resid 14 and name HA        )(resid 14 and name HB1  )  3.9 2.1 0.39 
assign (resid 14 and name HA        )(resid 14 and name HB2  )  3.9 2.1 0.39
assign (resid 14 and name HA        )(resid 14 and name HG#  )  3.9 2.1 1.39
assign (resid 14 and name HA        )(resid 15 and name HN  )  3.9 2.1 0.39 
assign (resid 14 and name HA        )(resid 16 and name HN  )  3.9 2.1 0.39
assign (resid 14 and name HA        )(resid 17 and name HN  )  3.9 2.1 0.39 
assign (resid 14 and name HB1        )(resid 14 and name HB2  )  2.8 1 0.28
assign (resid 14 and name HB1        )(resid 15 and name HN  )  5.0 3.2 0.5
assign (resid 14 and name HB2        )(resid 15 and name HN  )  5.0 3.2 0.5
assign (resid 14 and name HG#        )(resid 15 and name HN  )  5.0 3.2 1.5
!
! VAL 15
!
assign (resid 15 and name HN        )(resid 15 and name HA  )  3.9 2.1 0.39
assign (resid 15 and name HN        )(resid 15 and name HB  )  3.9 2.1 0.39
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#  )  3.9 2.1 1.39
assign (resid 15 and name HN        )(resid 16 and name HN  )  3.9 2.1 0.39
assign (resid 15 and name HA        )(resid 15 and name HB  )  3.9 2.1 0.39
assign (resid 15 and name HA        )(resid 15 and name HG1#  )  3.9 2.1 1.39
assign (resid 15 and name HA        )(resid 15 and name HG2#  )  3.9 2.1 1.39
assign (resid 15 and name HA        )(resid 16 and name HN  )  5.0 3.2 0.5
assign (resid 15 and name HA        )(resid 18 and name HB#  )  3.9 2.1 1.39 
!
! LEU 16
!
assign (resid 16 and name HN        )(resid 16 and name HA  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 16 and name HD1#  )  3.9 1 1.39
assign (resid 16 and name HN        )(resid 16 and name HD2#  )  3.9 1 1.39
assign (resid 16 and name HA        )(resid 16 and name HD1#  )  3.9 1 1.39
assign (resid 16 and name HA        )(resid 16 and name HD2#  )  3.9 1 1.39
assign (resid 16 and name HN        )(resid 17 and name HN  )  3.9 2.1 0.39
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 HG1#  )  3.9 2.1 1.39
assign (resid 16 and name HN        )(resid 15 and name HG2#  )  3.9 2.1 1.39
assign (resid 16 and name HA        )(resid 19 and name HB1  )  2.8 2.1 0.28
assign (resid 16 and name HA        )(resid 19 and name HB2  )  2.8 2.1 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 HB#  )  2.8 1 1.28
assign (resid 17 and name HA        )(resid 17 and name HB#  )  3.9 2.1 1.39
assign (resid 17 and name HA        )(resid 20 and name HN  )  2.8 2.1 0.28
assign (resid 17 and name HA        )(resid 20 and name HB1  )  2.8 2.1 0.28
!
! ASP 18
!
assign (resid 18 and name HA        )(resid 18 and name HB#  )  3.9 2.1 1.39
assign (resid 18 and name HB1        )(resid 18 and name HB2  )  2.8 1 0.28
assign (resid 18 and name HA        )(resid 21 and name HN  )  3.9 2.1 0.39 
assign (resid 18 and name HA        )(resid 21 and name HB  )  2.8 1 0.28
assign (resid 18 and name HA        )(resid 21 and name HG#  )  5.0 3.2 1.5
!
! PHE 19
!
assign (resid 19 and name HN        )(resid 20 and name HN  )  3.9 2.1 0.39
assign (resid 19 and name HA        )(resid 19 and name HB#  )  3.9 2.1 1.39
assign (resid 19 and name HA        )(resid 19 and name HD#  )  3.9 2.1 1.39
assign (resid 19 and name HA        )(resid 20 and name HN  )  3.9 2.1 0.39
assign (resid 19 and name HA        )(resid 22 and name HB#  )  3.9 2.1 1.39
assign (resid 19 and name HB#        )(resid 19 and name HD#  )  2.8 1 2.28
assign (resid 19 and name HB#        )(resid 20 and name HN  )  3.9 2.1 1.39 
!
! 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  ) 3.9 2.1 0.39 
assign (resid 20 and name HN        )(resid 20 and name HG#  )  5.0 2.1 1.50
assign (resid 20 and name HN        )(resid 20 and name HD#  )  5.0 3.2 1.5
assign (resid 20 and name HN        )(resid 21 and name HN  )  2.8 1 0.28
assign (resid 20 and name HN        )(resid 22 and name HN  )  3.9 2.1 0.39
assign (resid 20 and name HA        )(resid 20 and name HB1  )  2.8 1 0.28
assign (resid 20 and name HA        )(resid 20 and name HB2  )  5.0 3.2 0.5
assign (resid 20 and name HA        )(resid 20 and name HG#  )  3.9 2.1 1.39
assign (resid 20 and name HA        )(resid 22 and name HN  )  5.0 3.2 0.5
assign (resid 20 and name HA        )(resid 23 and name HN  )  3.9 2.1 0.39
assign (resid 20 and name HA        )(resid 23 and name HB#  )  4.3 2.1 1.43
assign (resid 20 and name HA        )(resid 23 and name HD1#  )  5.0 3.2 1.5
assign (resid 20 and name HA        )(resid 23 and name HD2#  )  5.0 3.2 1.5
assign (resid 20 and name HB1        )(resid 21 and name HN  )  3.9 2.1 0.39
!
! THR 21
!
assign (resid 21 and name HN        )(resid 21 and name HA  )  3.9 2.1 0.39
assign (resid 21 and name HN        )(resid 21 and name HB  )  2.8 1 0.28
assign (resid 21 and name HN        )(resid 21 and name HG2#  )  3.9 2.1 1.39
assign (resid 21 and name HN        )(resid 22 and name HN  )  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 HA        )(resid 21 and name HG2#  )  2.8 1 1.28
assign (resid 21 and name HA        )(resid 22 and name HN  )  3.9 2.1 0.39
assign (resid 21 and name HA        )(resid 24 and name HB1  )  3.9 2.1 0.39
assign (resid 21 and name HA        )(resid 24 and name HB2  )  3.9 2.1 0.39
assign (resid 21 and name HB        )(resid 21 and name HG2#  )  2.8 1 1.28
assign (resid 21 and name HG2#        )(resid 22 and name HN  )  5.0 3.2 1.5
!
! TRP 22
!
assign (resid 22 and name HN        )(resid 22 and name HA  )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 22 and name HB1  )  2.8 1 0.28
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  )  2.8 1 0.28
assign (resid 22 and name HA        )(resid 22 and name HB2  )  2.8 1 0.28
assign (resid 22 and name HA        )(resid 22 and name HD1  )  5.0 3.2 0.5 
assign (resid 22 and name HA        )(resid 23 and name HN  )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 25 and name HN  )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 25 and name HB#  )  2.8 1 1.28
assign (resid 22 and name HB1        )(resid 22 and name HB2  )  2.8 1 0.28
assign (resid 22 and name HB1        )(resid 22 and name HD1  )  3.9 2.1 0.39
assign (resid 22 and name HB2        )(resid 22 and name HD1  )  3.9 2.1 0.39
assign (resid 22 and name HE3        )(resid 23 and name HA  )  2.8 1 0.28
assign (resid 22 and name HE3        )(resid 23 and name HB#  )  3.9 2.1 1.39
assign (resid 22 and name HE3        )(resid 23 and name HD1#  )  3.9 2.1 1.39
assign (resid 22 and name HE3        )(resid 23 and name HD2#  )  3.9 2.1 1.39
assign (resid 22 and name HH2        )(resid 23 and name HD1#  )  3.9 2.1 1.39
assign (resid 22 and name HH2        )(resid 23 and name HD2#  )  3.9 2.1 1.39
assign (resid 22 and name HZ3        )(resid 23 and name HA  )  3.9 2.1 0.39
assign (resid 22 and name HZ3        )(resid 23 and name HD1#  )  3.9 2.1 1.39
assign (resid 22 and name HZ3        )(resid 23 and name HD2#  )  3.9 2.1 1.39
!
! LEU 23
!
assign (resid 23 and name HN        )(resid 23 and name HA  )  2.8 1 0.28
assign (resid 23 and name HN        )(resid 23 and name HB#  )  2.8 1 1.28
assign (resid 23 and name HN        )(resid 24 and name HN  )  2.8 1 0.28
assign (resid 23 and name HN        )(resid 23 and name HD1#  )  5.0 3.2 1.5
assign (resid 23 and name HN        )(resid 23 and name HD2#  )  5.0 3.2 1.5
assign (resid 23 and name HA        )(resid 23 and name HB#  )  3.9 2.1 1.39
assign (resid 23 and name HA        )(resid 23 and name HD1#  )  2.8 1 1.28
assign (resid 23 and name HA        )(resid 23 and name HD2#  )  2.8 1 1.28
assign (resid 23 and name HA        )(resid 24 and name HN  )  3.9 2.1 0.39
assign (resid 23 and name HA        )(resid 26 and name HB1  )  3.9 2.1 0.39
assign (resid 23 and name HA        )(resid 25 and name HN  )  5.0 3.2 0.5
assign (resid 23 and name HA        )(resid 26 and name HN  )  3.9 2.1 0.39
assign (resid 23 and name HA        )(resid 27 and name HN  )  3.9 2.1 0.39
!
! 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 HB1  )  3.9 2.1 0.39
assign (resid 24 and name HN        )(resid 24 and name HB2  )  3.9 2.1 0.39
assign (resid 24 and name HN        )(resid 24 and name HD#  )  3.9 2.1 1.39
assign (resid 24 and name HN        )(resid 25 and name HN  )  2.8 1 0.28
assign (resid 24 and name HA        )(resid 24 and name HB1  )  2.8 1 0.28
assign (resid 24 and name HA        )(resid 24 and name HB2  )  2.8 1 0.28
assign (resid 24 and name HA        )(resid 24 and name HG#  )  3.9 2.1 1.39
assign (resid 24 and name HA        )(resid 24 and name HD#  )  3.9 2.1 1.39
assign (resid 24 and name HA        )(resid 25 and name HN  )  3.9 2.1 0.39
assign (resid 24 and name HA        )(resid 26 and name HN  )  5.0 3.2 0.5
assign (resid 24 and name HA        )(resid 27 and name HN  )  3.9 2.1 0.39 
assign (resid 24 and name HA        )(resid 27 and name HD#  )  3.9 2.1 1.39
assign (resid 24 and name HA        )(resid 28 and name HN  )  3.9 2.1 0.39
assign (resid 24 and name HB1        )(resid 25 and name HN  )  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 HA        )(resid 25 and name HB#  )  2.8 1 1.28
!
! 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 HB1  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 26 and name HB2  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 26 and name HG#  )  3.9 2.1 1.39
assign (resid 26 and name HN        )(resid 26 and name HD#  )  3.9 2.1 1.39
assign (resid 26 and name HN        )(resid 27 and name HN  )  3.9 2.1 0.39
assign (resid 26 and name HA        )(resid 26 and name HB1  )  3.9 2.1 0.39
assign (resid 26 and name HA        )(resid 26 and name HB2  )  3.9 2.1 0.39
assign (resid 26 and name HA        )(resid 26 and name HG#  )  3.9 2.1 1.39
assign (resid 26 and name HA        )(resid 26 and name HD#  )  5.0 3.2 1.5
assign (resid 26 and name HA        )(resid 27 and name HN  )  3.9 2.1 0.39
assign (resid 26 and name HB1        )(resid 27 and name HN  )  3.9 2.1 0.39
assign (resid 26 and name HB2        )(resid 27 and name HN  )  3.9 2.1 0.39
!
! 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 HB#  )  3.9 2.1 1.39
assign (resid 27 and name HN        )(resid 27 and name HG#  )  3.9 2.1 1.39
assign (resid 27 and name HN        )(resid 27 and name HD1#  )  3.9 2.1 1.39
assign (resid 27 and name HA        )(resid 27 and name HB#  )  2.8 1 1.28
assign (resid 27 and name HA        )(resid 27 and name HG#  )  2.8 1 1.28
assign (resid 27 and name HA        )(resid 27 and name HD1#  )  2.8 1 1.28
assign (resid 27 and name HA        )(resid 28 and name HN  )  3.9 2.1 0.39
assign (resid 27 and name HB#        )(resid 28 and name HN  )  3.9 2.1 1.39
assign (resid 27 and name HG#        )(resid 28 and name HN  )  5.0 3.2 1.5
!
! MET 28
!
assign (resid 28 and name HN        )(resid 28 and name HA  )  2.8 1 0.28
assign (resid 28 and name HN        )(resid 28 and name HB#  )  2.8 1 1.28
assign (resid 28 and name HN        )(resid 28 and name HG#  )  3.9 2.1 1.39
assign (resid 28 and name HN        )(resid 29 and name HD#  )  3.9 2.1 1.39
assign (resid 28 and name HA        )(resid 28 and name HB#  )  2.8 1 1.28
assign (resid 28 and name HA        )(resid 28 and name HG#  )  3.9 2.1 1.39
assign (resid 28 and name HA        )(resid 29 and name HD#  )  2.8 1 1.28
assign (resid 28 and name HA        )(resid 31 and name HB#  )  5.0 3.2 1.5
assign (resid 28 and name HB#        )(resid 28 and name HG#  )  2.8 1 2.28
!
! 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  )  3.9 2.1 0.39
assign (resid 29 and name HA        )(resid 29 and name HG#  )  3.9 2.1 1.39
assign (resid 29 and name HA        )(resid 29 and name HD#  )  3.9 2.1 1.39
assign (resid 29 and name HA        )(resid 30 and name HN  )  2.8 1 0.28
assign (resid 29 and name HD#        )(resid 29 and name HB1  )  3.9 2.1 1.39
assign (resid 29 and name HD#        )(resid 29 and name HB2  )  3.9 2.1 1.39
assign (resid 29 and name HD#        )(resid 29 and name HG#  )  3.9 2.1 2.39
!
! 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  )  2.8 1 0.28
assign (resid 30 and name HN        )(resid 30 and name HB2  )  3.9 2.1 0.39
assign (resid 30 and name HN        )(resid 30 and name HG#  )  5.0 3.2 1.5
assign (resid 30 and name HA        )(resid 30 and name HB1  )  3.9 2.1 0.39
assign (resid 30 and name HA        )(resid 30 and name HB2  )  3.9 2.1 0.39
assign (resid 30 and name HA        )(resid 30 and name HG#  )  5.0 3.2 1.5
assign (resid 30 and name HA        )(resid 31 and name HN  )  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
assign (resid 31 and name HA        )(resid 31 and name HB#  )  3.9 2.1 1.39
!


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1           HT1      SER   1 -27.387  -1.634  -8.577
    2   2H    SER   1           HT2      SER   1 -27.008  -1.933  -6.948
    3   3H    SER   1           HT3      SER   1 -26.003  -2.530  -8.180
    4    HA   SER   1           HA       SER   1 -25.485  -0.209  -8.842
    5   1HB   SER   1          HB2       SER   1 -27.050   0.341  -6.298
    6   2HB   SER   1          HB1       SER   1 -26.259   1.550  -7.305
    7    HG   SER   1           HG       SER   1 -28.323   1.513  -8.011
    8    H    GLY   2           HN       GLY   2 -25.746  -1.063  -5.350
    9   1HA   GLY   2          HA2       GLY   2 -22.936  -0.378  -4.908
   10   2HA   GLY   2          HA1       GLY   2 -24.047  -1.029  -3.702
   11    H    SER   3           HN       SER   3 -21.236  -1.842  -4.569
   12    HA   SER   3           HA       SER   3 -21.777  -4.660  -5.424
   13   1HB   SER   3          HB2       SER   3 -20.197  -3.170  -6.707
   14   2HB   SER   3          HB1       SER   3 -19.176  -3.097  -5.273
   15    HG   SER   3           HG       SER   3 -19.695  -5.215  -7.025
   16    H    TRP   4           HN       TRP   4 -19.509  -2.947  -3.214
   17    HA   TRP   4           HA       TRP   4 -20.232  -4.582  -0.923
   18   1HB   TRP   4          HB2       TRP   4 -18.231  -5.961  -0.847
   19   2HB   TRP   4          HB1       TRP   4 -18.972  -6.173  -2.429
   20    HD1  TRP   4           HD1      TRP   4 -17.864  -4.654  -4.460
   21    HE1  TRP   4           HE1      TRP   4 -15.394  -4.036  -4.851
   22    HE3  TRP   4           HE3      TRP   4 -15.985  -5.467   0.230
   23    HZ2  TRP   4           HZ2      TRP   4 -12.947  -3.906  -3.381
   24    HZ3  TRP   4           HZ3      TRP   4 -13.584  -5.088   0.698
   25    HH2  TRP   4           HH2      TRP   4 -12.064  -4.309  -1.098
   26    H    LEU   5           HN       LEU   5 -17.707  -4.433   0.408
   27    HA   LEU   5           HA       LEU   5 -17.654  -1.601   1.158
   28   1HB   LEU   5          HB2       LEU   5 -16.008  -4.026   1.962
   29   2HB   LEU   5          HB1       LEU   5 -15.976  -2.473   2.790
   30    HG   LEU   5           HG       LEU   5 -18.710  -3.249   2.519
   31   1HD1  LEU   5          HD11      LEU   5 -18.556  -5.340   3.966
   32   2HD1  LEU   5          HD12      LEU   5 -16.846  -5.405   3.540
   33   3HD1  LEU   5          HD13      LEU   5 -18.075  -5.548   2.283
   34   1HD2  LEU   5          HD21      LEU   5 -18.599  -3.191   4.999
   35   2HD2  LEU   5          HD22      LEU   5 -17.780  -1.805   4.280
   36   3HD2  LEU   5          HD23      LEU   5 -16.839  -3.158   4.908
   37    H    ARG   6           HN       ARG   6 -16.993  -1.500  -1.451
   38    HA   ARG   6           HA       ARG   6 -14.309  -1.919  -2.265
   39   1HB   ARG   6          HB2       ARG   6 -16.269  -1.292  -3.681
   40   2HB   ARG   6          HB1       ARG   6 -16.218   0.331  -2.994
   41   1HG   ARG   6          HG2       ARG   6 -13.764   0.395  -3.788
   42   2HG   ARG   6          HG1       ARG   6 -14.176  -1.015  -4.766
   43   1HD   ARG   6          HD2       ARG   6 -14.529   0.900  -6.181
   44   2HD   ARG   6          HD1       ARG   6 -16.146   0.378  -5.668
   45    HE   ARG   6           HE       ARG   6 -14.971   2.275  -3.795
   46   1HH1  ARG   6          HH21      ARG   6 -15.356   2.853  -7.014
   47   2HH1  ARG   6          HH22      ARG   6 -16.647   3.998  -6.873
   48   1HH2  ARG   6          HH11      ARG   6 -17.198   3.362  -3.498
   49   2HH2  ARG   6          HH12      ARG   6 -17.692   4.288  -4.876
   50    H    ASP   7           HN       ASP   7 -15.763   1.042  -0.829
   51    HA   ASP   7           HA       ASP   7 -13.365   2.596  -0.733
   52   1HB   ASP   7          HB2       ASP   7 -16.051   2.558   0.573
   53   2HB   ASP   7          HB1       ASP   7 -14.811   3.570   1.316
   54    H    ILE   8           HN       ILE   8 -14.571   0.043   1.388
   55    HA   ILE   8           HA       ILE   8 -13.093   0.532   3.755
   56    HB   ILE   8           HB       ILE   8 -14.806  -1.366   2.735
   57   1HG1  ILE   8          HG12      ILE   8 -14.790  -0.814   5.060
   58   2HG1  ILE   8          HG11      ILE   8 -14.446  -2.539   4.948
   59   1HG2  ILE   8          HG21      ILE   8 -12.882  -2.568   1.681
   60   2HG2  ILE   8          HG22      ILE   8 -13.725  -3.543   2.883
   61   3HG2  ILE   8          HG23      ILE   8 -12.184  -2.788   3.286
   62   1HD1  ILE   8          HD11      ILE   8 -11.980  -1.955   5.041
   63   2HD1  ILE   8          HD12      ILE   8 -12.878  -1.626   6.523
   64   3HD1  ILE   8          HD13      ILE   8 -12.463  -0.304   5.433
   65    H    TRP   9           HN       TRP   9 -12.018  -0.855   0.661
   66    HA   TRP   9           HA       TRP   9  -9.528  -1.897   1.650
   67   1HB   TRP   9          HB2       TRP   9  -9.162  -2.466  -0.573
   68   2HB   TRP   9          HB1       TRP   9 -10.910  -2.312  -0.545
   69    HD1  TRP   9           HD1      TRP   9 -10.798   1.004  -0.633
   70    HE1  TRP   9           HE1      TRP   9 -10.301   2.097  -2.910
   71    HE3  TRP   9           HE3      TRP   9  -8.680  -2.950  -3.059
   72    HZ2  TRP   9           HZ2      TRP   9  -9.163   1.387  -5.434
   73    HZ3  TRP   9           HZ3      TRP   9  -7.901  -2.719  -5.401
   74    HH2  TRP   9           HH2      TRP   9  -8.142  -0.557  -6.592
   75    H    ASP  10           HN       ASP  10 -10.543   1.337   1.161
   76    HA   ASP  10           HA       ASP  10  -7.920   2.469   0.519
   77   1HB   ASP  10          HB2       ASP  10 -10.250   3.397  -0.020
   78   2HB   ASP  10          HB1       ASP  10 -10.373   3.816   1.689
   79    H    TRP  11           HN       TRP  11  -9.902   1.869   3.396
   80    HA   TRP  11           HA       TRP  11  -8.405   3.344   5.317
   81   1HB   TRP  11          HB2       TRP  11 -10.215   2.557   6.433
   82   2HB   TRP  11          HB1       TRP  11 -10.524   1.382   5.163
   83    HD1  TRP  11           HD1      TRP  11 -10.352  -1.040   5.859
   84    HE1  TRP  11           HE1      TRP  11  -9.273  -2.339   7.804
   85    HE3  TRP  11           HE3      TRP  11  -7.919   2.775   8.228
   86    HZ2  TRP  11           HZ2      TRP  11  -7.599  -1.831  10.064
   87    HZ3  TRP  11           HZ3      TRP  11  -6.589   2.335  10.270
   88    HH2  TRP  11           HH2      TRP  11  -6.427   0.041  11.193
   89    H    ILE  12           HN       ILE  12  -7.792   0.198   3.796
   90    HA   ILE  12           HA       ILE  12  -5.459  -0.270   5.592
   91    HB   ILE  12           HB       ILE  12  -7.076  -1.875   3.613
   92   1HG1  ILE  12          HG12      ILE  12  -7.873  -1.911   5.884
   93   2HG1  ILE  12          HG11      ILE  12  -7.082  -3.458   5.595
   94   1HG2  ILE  12          HG21      ILE  12  -5.369  -3.754   4.162
   95   2HG2  ILE  12          HG22      ILE  12  -4.268  -2.436   4.567
   96   3HG2  ILE  12          HG23      ILE  12  -4.925  -2.567   2.935
   97   1HD1  ILE  12          HD11      ILE  12  -6.207  -2.801   7.679
   98   2HD1  ILE  12          HD12      ILE  12  -6.091  -1.108   7.202
   99   3HD1  ILE  12          HD13      ILE  12  -4.956  -2.288   6.548
  100    H    CYS  13           HN       CYS  13  -6.241   0.246   2.140
  101    HA   CYS  13           HA       CYS  13  -3.518  -0.007   1.200
  102   1HB   CYS  13          HB2       CYS  13  -5.648  -0.262  -0.118
  103   2HB   CYS  13          HB1       CYS  13  -5.861   1.486  -0.017
  104    HG   CYS  13           HG       CYS  13  -4.386   1.602  -2.000
  105    H    GLU  14           HN       GLU  14  -5.514   2.815   2.142
  106    HA   GLU  14           HA       GLU  14  -3.603   4.821   1.348
  107   1HB   GLU  14          HB2       GLU  14  -6.114   4.995   1.887
  108   2HB   GLU  14          HB1       GLU  14  -5.631   5.024   3.583
  109   1HG   GLU  14          HG2       GLU  14  -5.145   7.213   3.420
  110   2HG   GLU  14          HG1       GLU  14  -3.971   6.868   2.149
  111    H    VAL  15           HN       VAL  15  -4.152   3.106   4.433
  112    HA   VAL  15           HA       VAL  15  -2.130   4.639   5.882
  113    HB   VAL  15           HB       VAL  15  -3.618   2.046   6.426
  114   1HG1  VAL  15          HG11      VAL  15  -1.623   2.015   7.778
  115   2HG1  VAL  15          HG12      VAL  15  -2.945   2.529   8.825
  116   3HG1  VAL  15          HG13      VAL  15  -1.809   3.719   8.192
  117   1HG2  VAL  15          HG21      VAL  15  -4.034   4.727   7.751
  118   2HG2  VAL  15          HG22      VAL  15  -5.146   3.361   7.657
  119   3HG2  VAL  15          HG23      VAL  15  -4.831   4.341   6.225
  120    H    LEU  16           HN       LEU  16  -2.156   1.616   4.029
  121    HA   LEU  16           HA       LEU  16   0.497   0.783   4.999
  122   1HB   LEU  16          HB2       LEU  16  -1.516  -0.662   4.282
  123   2HB   LEU  16          HB1       LEU  16  -1.043  -0.282   2.626
  124    HG   LEU  16           HG       LEU  16   1.323  -1.044   4.012
  125   1HD1  LEU  16          HD11      LEU  16  -1.037  -2.890   4.468
  126   2HD1  LEU  16          HD12      LEU  16  -0.005  -2.157   5.696
  127   3HD1  LEU  16          HD13      LEU  16   0.645  -3.398   4.624
  128   1HD2  LEU  16          HD21      LEU  16  -0.324  -1.899   1.710
  129   2HD2  LEU  16          HD22      LEU  16   0.676  -3.173   2.406
  130   3HD2  LEU  16          HD23      LEU  16   1.422  -1.684   1.826
  131    H    SER  17           HN       SER  17  -0.378   3.216   2.899
  132    HA   SER  17           HA       SER  17   1.335   2.734   0.626
  133   1HB   SER  17          HB2       SER  17  -0.607   4.530   1.344
  134   2HB   SER  17          HB1       SER  17   0.841   5.521   1.501
  135    HG   SER  17           HG       SER  17  -0.226   5.369  -0.649
  136    H    ASP  18           HN       ASP  18   1.809   4.730   3.582
  137    HA   ASP  18           HA       ASP  18   4.485   5.557   3.022
  138   1HB   ASP  18          HB2       ASP  18   2.780   6.298   4.832
  139   2HB   ASP  18          HB1       ASP  18   3.379   4.930   5.770
  140    H    PHE  19           HN       PHE  19   3.197   2.652   4.628
  141    HA   PHE  19           HA       PHE  19   5.697   1.526   5.480
  142   1HB   PHE  19          HB2       PHE  19   3.216   0.982   6.060
  143   2HB   PHE  19          HB1       PHE  19   3.260  -0.038   4.622
  144    HD1  PHE  19           HD1      PHE  19   4.255  -2.183   4.684
  145    HD2  PHE  19           HD2      PHE  19   4.984   0.600   7.874
  146    HE1  PHE  19           HE1      PHE  19   5.381  -3.968   5.984
  147    HE2  PHE  19           HE2      PHE  19   6.113  -1.185   9.173
  148    HZ   PHE  19           HZ       PHE  19   6.311  -3.469   8.229
  149    H    LYS  20           HN       LYS  20   3.905   1.352   2.403
  150    HA   LYS  20           HA       LYS  20   5.520  -0.743   1.219
  151   1HB   LYS  20          HB2       LYS  20   3.165   0.152   0.621
  152   2HB   LYS  20          HB1       LYS  20   4.014   1.441  -0.234
  153   1HG   LYS  20          HG2       LYS  20   4.639   0.066  -1.927
  154   2HG   LYS  20          HG1       LYS  20   5.053  -1.248  -0.825
  155   1HD   LYS  20          HD2       LYS  20   2.886  -2.101  -0.805
  156   2HD   LYS  20          HD1       LYS  20   2.163  -0.553  -1.240
  157   1HE   LYS  20          HE2       LYS  20   4.006  -1.875  -3.213
  158   2HE   LYS  20          HE1       LYS  20   2.340  -2.467  -3.061
  159   1HZ   LYS  20          HZ1       LYS  20   3.097   0.389  -3.417
  160   2HZ   LYS  20          HZ2       LYS  20   1.517  -0.237  -3.358
  161   3HZ   LYS  20          HZ3       LYS  20   2.538  -0.619  -4.662
  162    H    THR  21           HN       THR  21   5.520   2.830   0.850
  163    HA   THR  21           HA       THR  21   7.695   3.076  -0.953
  164    HB   THR  21           HB       THR  21   6.910   4.890   1.359
  165    HG1  THR  21           HG1      THR  21   5.172   5.257   0.265
  166   1HG2  THR  21          HG21      THR  21   9.025   5.515   0.253
  167   2HG2  THR  21          HG22      THR  21   7.755   6.684  -0.105
  168   3HG2  THR  21          HG23      THR  21   8.215   5.485  -1.313
  169    H    TRP  22           HN       TRP  22   7.701   2.897   2.618
  170    HA   TRP  22           HA       TRP  22  10.511   3.280   3.023
  171   1HB   TRP  22          HB2       TRP  22   8.917   3.466   4.825
  172   2HB   TRP  22          HB1       TRP  22   8.315   1.834   4.540
  173    HD1  TRP  22           HD1      TRP  22  11.355   3.707   5.936
  174    HE1  TRP  22           HE1      TRP  22  12.699   2.090   7.428
  175    HE3  TRP  22           HE3      TRP  22   8.828  -0.631   5.030
  176    HZ2  TRP  22           HZ2      TRP  22  12.699  -0.685   8.143
  177    HZ3  TRP  22           HZ3      TRP  22   9.518  -2.743   6.124
  178    HH2  TRP  22           HH2      TRP  22  11.446  -2.778   7.674
  179    H    LEU  23           HN       LEU  23   8.570   0.302   2.564
  180    HA   LEU  23           HA       LEU  23  10.810  -1.523   2.787
  181   1HB   LEU  23          HB2       LEU  23   7.932  -1.552   2.183
  182   2HB   LEU  23          HB1       LEU  23   8.837  -2.790   1.312
  183    HG   LEU  23           HG       LEU  23   9.675  -2.550   4.102
  184   1HD1  LEU  23          HD11      LEU  23   7.522  -2.136   4.831
  185   2HD1  LEU  23          HD12      LEU  23   7.462  -3.894   4.714
  186   3HD1  LEU  23          HD13      LEU  23   6.785  -2.901   3.423
  187   1HD2  LEU  23          HD21      LEU  23  10.243  -4.404   2.528
  188   2HD2  LEU  23          HD22      LEU  23   8.540  -4.864   2.502
  189   3HD2  LEU  23          HD23      LEU  23   9.463  -4.979   4.001
  190    H    LYS  24           HN       LYS  24   9.160   0.038   0.032
  191    HA   LYS  24           HA       LYS  24  10.471  -1.350  -2.089
  192   1HB   LYS  24          HB2       LYS  24   8.493   0.406  -1.955
  193   2HB   LYS  24          HB1       LYS  24   9.783   1.573  -2.241
  194   1HG   LYS  24          HG2       LYS  24  10.062  -0.684  -4.035
  195   2HG   LYS  24          HG1       LYS  24   8.446   0.009  -4.172
  196   1HD   LYS  24          HD2       LYS  24   9.295   2.160  -4.721
  197   2HD   LYS  24          HD1       LYS  24  10.924   1.739  -4.189
  198   1HE   LYS  24          HE2       LYS  24  11.302   0.338  -6.078
  199   2HE   LYS  24          HE1       LYS  24   9.576   0.287  -6.483
  200   1HZ   LYS  24          HZ1       LYS  24   9.589   2.585  -7.021
  201   2HZ   LYS  24          HZ2       LYS  24  10.918   1.901  -7.827
  202   3HZ   LYS  24          HZ3       LYS  24  11.156   2.802  -6.407
  203    H    ALA  25           HN       ALA  25  11.504   1.408  -0.105
  204    HA   ALA  25           HA       ALA  25  13.856   2.025  -1.726
  205   1HB   ALA  25          HB1       ALA  25  14.320   3.560   0.131
  206   2HB   ALA  25          HB2       ALA  25  13.141   2.725   1.143
  207   3HB   ALA  25          HB3       ALA  25  12.605   3.632  -0.271
  208    H    LYS  26           HN       LYS  26  13.220   0.181   1.264
  209    HA   LYS  26           HA       LYS  26  15.999  -0.421   1.835
  210   1HB   LYS  26          HB2       LYS  26  13.696  -0.506   3.213
  211   2HB   LYS  26          HB1       LYS  26  13.753  -2.195   2.707
  212   1HG   LYS  26          HG2       LYS  26  15.618  -2.657   3.973
  213   2HG   LYS  26          HG1       LYS  26  16.271  -1.028   3.797
  214   1HD   LYS  26          HD2       LYS  26  14.204  -0.327   5.251
  215   2HD   LYS  26          HD1       LYS  26  14.183  -2.028   5.717
  216   1HE   LYS  26          HE2       LYS  26  16.572  -1.849   6.413
  217   2HE   LYS  26          HE1       LYS  26  16.531  -0.119   6.020
  218   1HZ   LYS  26          HZ1       LYS  26  16.011  -0.506   8.364
  219   2HZ   LYS  26          HZ2       LYS  26  14.704  -1.496   7.923
  220   3HZ   LYS  26          HZ3       LYS  26  14.684   0.161   7.547
  221    H    LEU  27           HN       LEU  27  13.441  -2.038  -0.028
  222    HA   LEU  27           HA       LEU  27  14.916  -4.519  -0.423
  223   1HB   LEU  27          HB2       LEU  27  12.377  -4.013  -0.506
  224   2HB   LEU  27          HB1       LEU  27  12.684  -3.425  -2.140
  225    HG   LEU  27           HG       LEU  27  13.918  -5.717  -2.453
  226   1HD1  LEU  27          HD11      LEU  27  12.171  -6.188  -0.025
  227   2HD1  LEU  27          HD12      LEU  27  13.895  -6.517  -0.194
  228   3HD1  LEU  27          HD13      LEU  27  12.720  -7.495  -1.073
  229   1HD2  LEU  27          HD21      LEU  27  11.856  -5.066  -3.633
  230   2HD2  LEU  27          HD22      LEU  27  10.895  -5.525  -2.228
  231   3HD2  LEU  27          HD23      LEU  27  11.772  -6.756  -3.136
  232    H    MET  28           HN       MET  28  14.791  -1.413  -2.091
  233    HA   MET  28           HA       MET  28  15.785  -2.256  -4.651
  234   1HB   MET  28          HB2       MET  28  14.697  -0.071  -4.049
  235   2HB   MET  28          HB1       MET  28  16.175   0.380  -3.198
  236   1HG   MET  28          HG2       MET  28  17.458   0.133  -5.297
  237   2HG   MET  28          HG1       MET  28  15.976  -0.304  -6.148
  238   1HE   MET  28          HE1       MET  28  17.212   3.316  -7.203
  239   2HE   MET  28          HE2       MET  28  16.464   1.895  -7.929
  240   3HE   MET  28          HE3       MET  28  17.935   1.718  -6.976
  241    HA   PRO  29           HA       PRO  29  19.929  -3.166  -3.194
  242   1HB   PRO  29          HB2       PRO  29  20.863  -4.124  -5.581
  243   2HB   PRO  29          HB1       PRO  29  19.837  -5.080  -4.493
  244   1HG   PRO  29          HG2       PRO  29  19.124  -3.641  -6.989
  245   2HG   PRO  29          HG1       PRO  29  18.504  -5.169  -6.347
  246   1HD   PRO  29          HD2       PRO  29  17.183  -2.758  -6.194
  247   2HD   PRO  29          HD1       PRO  29  16.898  -4.137  -5.110
  248    H    GLN  30           HN       GLN  30  22.217  -2.693  -4.446
  249    HA   GLN  30           HA       GLN  30  22.441   0.158  -4.690
  250   1HB   GLN  30          HB2       GLN  30  24.153  -1.774  -4.145
  251   2HB   GLN  30          HB1       GLN  30  24.404  -1.782  -5.891
  252   1HG   GLN  30          HG2       GLN  30  25.891  -0.113  -5.508
  253   2HG   GLN  30          HG1       GLN  30  24.473   0.914  -5.301
  254   1HE2  GLN  30          HE21      GLN  30  23.540   0.843  -2.927
  255   2HE2  GLN  30          HE22      GLN  30  24.688   0.823  -1.678
  256    H    LEU  31           HN       LEU  31  22.149   1.467  -6.458
  257    HA   LEU  31           HA       LEU  31  22.210   0.275  -9.196
  258   1HB   LEU  31          HB2       LEU  31  19.879   0.458  -7.959
  259   2HB   LEU  31          HB1       LEU  31  20.011   2.162  -8.395
  260    HG   LEU  31           HG       LEU  31  20.596   1.226 -10.778
  261   1HD1  LEU  31          HD11      LEU  31  19.794  -0.930 -11.297
  262   2HD1  LEU  31          HD12      LEU  31  18.848  -1.035  -9.812
  263   3HD1  LEU  31          HD13      LEU  31  20.606  -1.160  -9.749
  264   1HD2  LEU  31          HD21      LEU  31  18.545   2.519 -10.094
  265   2HD2  LEU  31          HD22      LEU  31  17.762   0.983  -9.721
  266   3HD2  LEU  31          HD23      LEU  31  18.247   1.346 -11.377
  Start of MODEL    2
    1   1H    SER   1           HT1      SER   1 -25.697   3.588   6.885
    2   2H    SER   1           HT2      SER   1 -24.301   2.768   7.399
    3   3H    SER   1           HT3      SER   1 -25.792   2.468   8.155
    4    HA   SER   1           HA       SER   1 -26.647   1.619   5.973
    5   1HB   SER   1          HB2       SER   1 -24.698   2.963   4.882
    6   2HB   SER   1          HB1       SER   1 -23.715   1.550   5.255
    7    HG   SER   1           HG       SER   1 -25.608   1.916   3.324
    8    H    GLY   2           HN       GLY   2 -23.402   0.788   7.313
    9   1HA   GLY   2          HA2       GLY   2 -23.241  -1.091   8.932
   10   2HA   GLY   2          HA1       GLY   2 -24.521  -1.895   8.023
   11    H    SER   3           HN       SER   3 -23.478  -1.304   5.389
   12    HA   SER   3           HA       SER   3 -21.547  -3.472   5.153
   13   1HB   SER   3          HB2       SER   3 -23.069  -3.298   3.380
   14   2HB   SER   3          HB1       SER   3 -22.983  -1.539   3.347
   15    HG   SER   3           HG       SER   3 -21.796  -2.995   1.695
   16    H    TRP   4           HN       TRP   4 -21.145  -0.330   3.527
   17    HA   TRP   4           HA       TRP   4 -19.263   1.072   3.310
   18   1HB   TRP   4          HB2       TRP   4 -19.908   0.824   5.920
   19   2HB   TRP   4          HB1       TRP   4 -18.266   0.191   5.973
   20    HD1  TRP   4           HD1      TRP   4 -20.230   3.349   5.029
   21    HE1  TRP   4           HE1      TRP   4 -18.610   5.355   5.038
   22    HE3  TRP   4           HE3      TRP   4 -15.810   0.909   5.796
   23    HZ2  TRP   4           HZ2      TRP   4 -15.808   5.856   5.330
   24    HZ3  TRP   4           HZ3      TRP   4 -13.684   2.173   5.936
   25    HH2  TRP   4           HH2      TRP   4 -13.678   4.641   5.703
   26    H    LEU   5           HN       LEU   5 -19.015  -1.965   2.697
   27    HA   LEU   5           HA       LEU   5 -16.237  -2.622   3.323
   28   1HB   LEU   5          HB2       LEU   5 -16.711  -4.606   1.966
   29   2HB   LEU   5          HB1       LEU   5 -18.076  -4.283   3.032
   30    HG   LEU   5           HG       LEU   5 -18.760  -2.816   0.811
   31   1HD1  LEU   5          HD11      LEU   5 -18.440  -4.625  -1.036
   32   2HD1  LEU   5          HD12      LEU   5 -17.114  -5.198  -0.024
   33   3HD1  LEU   5          HD13      LEU   5 -17.085  -3.557  -0.669
   34   1HD2  LEU   5          HD21      LEU   5 -20.065  -4.531   2.203
   35   2HD2  LEU   5          HD22      LEU   5 -19.411  -5.756   1.116
   36   3HD2  LEU   5          HD23      LEU   5 -20.445  -4.477   0.482
   37    H    ARG   6           HN       ARG   6 -17.812  -0.808   0.813
   38    HA   ARG   6           HA       ARG   6 -15.656  -1.146  -1.160
   39   1HB   ARG   6          HB2       ARG   6 -17.033   0.269  -2.505
   40   2HB   ARG   6          HB1       ARG   6 -18.163  -0.701  -1.560
   41   1HG   ARG   6          HG2       ARG   6 -18.055   1.265   0.152
   42   2HG   ARG   6          HG1       ARG   6 -17.405   2.193  -1.199
   43   1HD   ARG   6          HD2       ARG   6 -19.412   1.557  -2.556
   44   2HD   ARG   6          HD1       ARG   6 -20.083   0.758  -1.119
   45    HE   ARG   6           HE       ARG   6 -20.215   2.924  -0.022
   46   1HH1  ARG   6          HH11      ARG   6 -21.476   3.529  -2.699
   47   2HH1  ARG   6          HH12      ARG   6 -20.655   4.983  -3.156
   48   1HH2  ARG   6          HH21      ARG   6 -18.091   4.571  -0.839
   49   2HH2  ARG   6          HH22      ARG   6 -18.729   5.576  -2.098
   50    H    ASP   7           HN       ASP   7 -16.236   0.822   1.619
   51    HA   ASP   7           HA       ASP   7 -14.333   2.934   0.732
   52   1HB   ASP   7          HB2       ASP   7 -15.999   2.699   3.258
   53   2HB   ASP   7          HB1       ASP   7 -15.227   4.155   2.632
   54    H    ILE   8           HN       ILE   8 -14.673   0.268   3.055
   55    HA   ILE   8           HA       ILE   8 -12.491   0.914   4.781
   56    HB   ILE   8           HB       ILE   8 -14.348  -0.840   5.013
   57   1HG1  ILE   8          HG12      ILE   8 -11.488  -1.714   5.550
   58   2HG1  ILE   8          HG11      ILE   8 -12.424  -0.622   6.568
   59   1HG2  ILE   8          HG21      ILE   8 -12.388  -2.607   3.530
   60   2HG2  ILE   8          HG22      ILE   8 -13.781  -1.872   2.738
   61   3HG2  ILE   8          HG23      ILE   8 -14.021  -3.007   4.065
   62   1HD1  ILE   8          HD11      ILE   8 -12.593  -2.829   7.532
   63   2HD1  ILE   8          HD12      ILE   8 -13.033  -3.529   5.975
   64   3HD1  ILE   8          HD13      ILE   8 -14.152  -2.446   6.804
   65    H    TRP   9           HN       TRP   9 -12.550  -0.577   1.569
   66    HA   TRP   9           HA       TRP   9  -9.915  -1.697   1.563
   67   1HB   TRP   9          HB2       TRP   9 -11.667  -0.520  -0.617
   68   2HB   TRP   9          HB1       TRP   9 -10.195  -1.432  -0.937
   69    HD1  TRP   9           HD1      TRP   9 -10.808  -3.514   1.566
   70    HE1  TRP   9           HE1      TRP   9 -12.517  -5.392   1.127
   71    HE3  TRP   9           HE3      TRP   9 -13.275  -1.540  -2.445
   72    HZ2  TRP   9           HZ2      TRP   9 -14.645  -5.984  -0.691
   73    HZ3  TRP   9           HZ3      TRP   9 -15.136  -2.782  -3.511
   74    HH2  TRP   9           HH2      TRP   9 -15.824  -4.998  -2.640
   75    H    ASP  10           HN       ASP  10 -11.112   1.565   0.727
   76    HA   ASP  10           HA       ASP  10  -8.686   2.701  -0.231
   77   1HB   ASP  10          HB2       ASP  10 -10.848   3.800  -0.429
   78   2HB   ASP  10          HB1       ASP  10 -11.032   3.847   1.325
   79    H    TRP  11           HN       TRP  11  -9.932   2.316   3.086
   80    HA   TRP  11           HA       TRP  11  -7.970   3.801   4.508
   81   1HB   TRP  11          HB2       TRP  11  -9.845   3.103   5.724
   82   2HB   TRP  11          HB1       TRP  11  -9.821   1.490   5.031
   83    HD1  TRP  11           HD1      TRP  11  -6.576   2.785   6.490
   84    HE1  TRP  11           HE1      TRP  11  -6.057   1.518   8.672
   85    HE3  TRP  11           HE3      TRP  11 -10.975   0.282   7.121
   86    HZ2  TRP  11           HZ2      TRP  11  -7.337  -0.315  10.452
   87    HZ3  TRP  11           HZ3      TRP  11 -11.301  -1.219   9.066
   88    HH2  TRP  11           HH2      TRP  11  -9.489  -1.520  10.730
   89    H    ILE  12           HN       ILE  12  -8.000   0.262   3.807
   90    HA   ILE  12           HA       ILE  12  -5.299  -0.160   4.777
   91    HB   ILE  12           HB       ILE  12  -7.089  -1.737   2.903
   92   1HG1  ILE  12          HG12      ILE  12  -6.806  -2.938   5.469
   93   2HG1  ILE  12          HG11      ILE  12  -7.186  -1.235   5.733
   94   1HG2  ILE  12          HG21      ILE  12  -4.419  -2.304   4.138
   95   2HG2  ILE  12          HG22      ILE  12  -5.028  -2.742   2.543
   96   3HG2  ILE  12          HG23      ILE  12  -5.567  -3.632   3.967
   97   1HD1  ILE  12          HD11      ILE  12  -9.323  -1.613   5.163
   98   2HD1  ILE  12          HD12      ILE  12  -8.953  -3.319   4.923
   99   3HD1  ILE  12          HD13      ILE  12  -8.808  -2.188   3.579
  100    H    CYS  13           HN       CYS  13  -6.690   0.541   1.578
  101    HA   CYS  13           HA       CYS  13  -4.436   0.001  -0.052
  102   1HB   CYS  13          HB2       CYS  13  -6.768   0.563  -0.774
  103   2HB   CYS  13          HB1       CYS  13  -6.476   2.238  -0.303
  104    HG   CYS  13           HG       CYS  13  -5.843   1.346  -2.954
  105    H    GLU  14           HN       GLU  14  -5.181   2.800   1.991
  106    HA   GLU  14           HA       GLU  14  -2.946   4.421   1.011
  107   1HB   GLU  14          HB2       GLU  14  -4.998   5.437   1.835
  108   2HB   GLU  14          HB1       GLU  14  -4.850   4.584   3.371
  109   1HG   GLU  14          HG2       GLU  14  -3.470   6.161   4.204
  110   2HG   GLU  14          HG1       GLU  14  -2.438   6.099   2.775
  111    H    VAL  15           HN       VAL  15  -3.659   2.561   3.988
  112    HA   VAL  15           HA       VAL  15  -1.222   3.089   5.376
  113    HB   VAL  15           HB       VAL  15  -3.162   0.753   5.389
  114   1HG1  VAL  15          HG11      VAL  15  -0.910   1.446   7.299
  115   2HG1  VAL  15          HG12      VAL  15  -1.087  -0.035   6.358
  116   3HG1  VAL  15          HG13      VAL  15  -2.204   0.309   7.678
  117   1HG2  VAL  15          HG21      VAL  15  -4.073   1.878   7.364
  118   2HG2  VAL  15          HG22      VAL  15  -4.056   3.002   6.005
  119   3HG2  VAL  15          HG23      VAL  15  -2.825   3.119   7.262
  120    H    LEU  16           HN       LEU  16  -2.016   0.637   2.914
  121    HA   LEU  16           HA       LEU  16   0.525  -0.787   3.233
  122   1HB   LEU  16          HB2       LEU  16  -2.001  -1.221   2.077
  123   2HB   LEU  16          HB1       LEU  16  -0.882  -1.189   0.714
  124    HG   LEU  16           HG       LEU  16  -0.307  -2.801   3.204
  125   1HD1  LEU  16          HD11      LEU  16  -1.289  -4.737   2.143
  126   2HD1  LEU  16          HD12      LEU  16  -1.634  -3.819   0.676
  127   3HD1  LEU  16          HD13      LEU  16  -2.510  -3.464   2.166
  128   1HD2  LEU  16          HD21      LEU  16   1.594  -2.402   1.735
  129   2HD2  LEU  16          HD22      LEU  16   0.654  -2.896   0.326
  130   3HD2  LEU  16          HD23      LEU  16   1.089  -4.082   1.556
  131    H    SER  17           HN       SER  17  -0.349   2.148   1.694
  132    HA   SER  17           HA       SER  17   1.540   1.935  -0.549
  133   1HB   SER  17          HB2       SER  17  -0.594   3.222  -0.626
  134   2HB   SER  17          HB1       SER  17   0.019   4.285   0.638
  135    HG   SER  17           HG       SER  17   0.390   5.183  -1.407
  136    H    ASP  18           HN       ASP  18   1.360   4.159   2.294
  137    HA   ASP  18           HA       ASP  18   4.019   5.155   2.047
  138   1HB   ASP  18          HB2       ASP  18   3.684   5.884   4.372
  139   2HB   ASP  18          HB1       ASP  18   2.199   6.118   3.453
  140    H    PHE  19           HN       PHE  19   2.770   2.192   3.531
  141    HA   PHE  19           HA       PHE  19   5.152   1.421   4.955
  142   1HB   PHE  19          HB2       PHE  19   2.735   0.535   5.103
  143   2HB   PHE  19          HB1       PHE  19   3.112  -0.409   3.661
  144    HD1  PHE  19           HD1      PHE  19   4.119   0.211   7.192
  145    HD2  PHE  19           HD2      PHE  19   4.446  -2.381   3.781
  146    HE1  PHE  19           HE1      PHE  19   5.245  -1.496   8.595
  147    HE2  PHE  19           HE2      PHE  19   5.569  -4.088   5.185
  148    HZ   PHE  19           HZ       PHE  19   5.970  -3.647   7.594
  149    H    LYS  20           HN       LYS  20   3.997   0.831   1.618
  150    HA   LYS  20           HA       LYS  20   6.079  -0.969   0.802
  151   1HB   LYS  20          HB2       LYS  20   3.891  -0.443  -0.352
  152   2HB   LYS  20          HB1       LYS  20   4.581   1.105  -0.840
  153   1HG   LYS  20          HG2       LYS  20   6.283   0.033  -2.150
  154   2HG   LYS  20          HG1       LYS  20   5.889  -1.550  -1.479
  155   1HD   LYS  20          HD2       LYS  20   3.477  -0.943  -2.469
  156   2HD   LYS  20          HD1       LYS  20   4.455   0.040  -3.560
  157   1HE   LYS  20          HE2       LYS  20   5.821  -1.961  -4.126
  158   2HE   LYS  20          HE1       LYS  20   4.786  -2.944  -3.071
  159   1HZ   LYS  20          HZ1       LYS  20   3.879  -1.334  -5.403
  160   2HZ   LYS  20          HZ2       LYS  20   2.856  -2.199  -4.356
  161   3HZ   LYS  20          HZ3       LYS  20   3.969  -3.026  -5.337
  162    H    THR  21           HN       THR  21   5.879   2.574   0.929
  163    HA   THR  21           HA       THR  21   8.332   3.125  -0.501
  164    HB   THR  21           HB       THR  21   7.065   4.829   1.657
  165    HG1  THR  21           HG1      THR  21   5.314   4.864   0.533
  166   1HG2  THR  21          HG21      THR  21   7.824   6.662   0.307
  167   2HG2  THR  21          HG22      THR  21   8.223   5.587  -1.033
  168   3HG2  THR  21          HG23      THR  21   9.176   5.539   0.450
  169    H    TRP  22           HN       TRP  22   7.513   2.696   2.946
  170    HA   TRP  22           HA       TRP  22  10.028   3.390   4.090
  171   1HB   TRP  22          HB2       TRP  22   8.082   3.135   5.463
  172   2HB   TRP  22          HB1       TRP  22   7.777   1.509   4.854
  173    HD1  TRP  22           HD1      TRP  22  10.112   3.453   7.183
  174    HE1  TRP  22           HE1      TRP  22  11.280   1.784   8.764
  175    HE3  TRP  22           HE3      TRP  22   8.505  -0.952   5.161
  176    HZ2  TRP  22           HZ2      TRP  22  11.507  -1.048   9.119
  177    HZ3  TRP  22           HZ3      TRP  22   9.211  -3.115   6.136
  178    HH2  TRP  22           HH2      TRP  22  10.709  -3.171   8.106
  179    H    LEU  23           HN       LEU  23   8.793   0.197   3.013
  180    HA   LEU  23           HA       LEU  23  11.209  -1.255   3.648
  181   1HB   LEU  23          HB2       LEU  23   8.583  -1.745   2.698
  182   2HB   LEU  23          HB1       LEU  23   9.678  -2.414   1.489
  183    HG   LEU  23           HG       LEU  23  10.106  -2.932   4.427
  184   1HD1  LEU  23          HD11      LEU  23   7.821  -3.659   3.921
  185   2HD1  LEU  23          HD12      LEU  23   8.873  -5.061   4.116
  186   3HD1  LEU  23          HD13      LEU  23   8.399  -4.533   2.502
  187   1HD2  LEU  23          HD21      LEU  23  11.397  -4.797   3.635
  188   2HD2  LEU  23          HD22      LEU  23  11.882  -3.401   2.673
  189   3HD2  LEU  23          HD23      LEU  23  10.782  -4.601   1.994
  190    H    LYS  24           HN       LYS  24   9.963   0.174   0.606
  191    HA   LYS  24           HA       LYS  24  12.109  -0.697  -1.087
  192   1HB   LYS  24          HB2       LYS  24   9.848   0.227  -1.744
  193   2HB   LYS  24          HB1       LYS  24  10.426   1.825  -1.277
  194   1HG   LYS  24          HG2       LYS  24  10.809   1.713  -3.617
  195   2HG   LYS  24          HG1       LYS  24  12.387   1.404  -2.894
  196   1HD   LYS  24          HD2       LYS  24  10.712  -1.000  -3.306
  197   2HD   LYS  24          HD1       LYS  24  11.242  -0.199  -4.785
  198   1HE   LYS  24          HE2       LYS  24  13.286  -0.610  -2.633
  199   2HE   LYS  24          HE1       LYS  24  12.792  -2.020  -3.589
  200   1HZ   LYS  24          HZ1       LYS  24  14.653  -0.486  -4.490
  201   2HZ   LYS  24          HZ2       LYS  24  13.376   0.542  -4.934
  202   3HZ   LYS  24          HZ3       LYS  24  13.455  -1.039  -5.555
  203    H    ALA  25           HN       ALA  25  11.653   2.284   0.843
  204    HA   ALA  25           HA       ALA  25  14.098   3.575   0.003
  205   1HB   ALA  25          HB1       ALA  25  12.218   4.766   1.016
  206   2HB   ALA  25          HB2       ALA  25  13.631   4.952   2.054
  207   3HB   ALA  25          HB3       ALA  25  12.364   3.806   2.488
  208    H    LYS  26           HN       LYS  26  13.292   1.284   2.592
  209    HA   LYS  26           HA       LYS  26  15.862   1.470   3.954
  210   1HB   LYS  26          HB2       LYS  26  13.522   0.725   4.795
  211   2HB   LYS  26          HB1       LYS  26  13.899  -0.826   4.046
  212   1HG   LYS  26          HG2       LYS  26  14.649  -1.096   6.265
  213   2HG   LYS  26          HG1       LYS  26  16.121  -0.692   5.383
  214   1HD   LYS  26          HD2       LYS  26  16.131   0.688   7.336
  215   2HD   LYS  26          HD1       LYS  26  15.666   1.743   6.001
  216   1HE   LYS  26          HE2       LYS  26  13.216   1.135   6.648
  217   2HE   LYS  26          HE1       LYS  26  13.921   0.596   8.184
  218   1HZ   LYS  26          HZ1       LYS  26  13.322   2.969   8.219
  219   2HZ   LYS  26          HZ2       LYS  26  14.398   3.255   6.936
  220   3HZ   LYS  26          HZ3       LYS  26  14.985   2.729   8.442
  221    H    LEU  27           HN       LEU  27  14.648  -0.306   1.192
  222    HA   LEU  27           HA       LEU  27  15.679  -1.855  -0.249
  223   1HB   LEU  27          HB2       LEU  27  17.616  -0.004   0.715
  224   2HB   LEU  27          HB1       LEU  27  18.390  -1.587   0.707
  225    HG   LEU  27           HG       LEU  27  18.702  -0.478  -1.460
  226   1HD1  LEU  27          HD11      LEU  27  18.444  -2.430  -2.582
  227   2HD1  LEU  27          HD12      LEU  27  16.703  -2.463  -2.301
  228   3HD1  LEU  27          HD13      LEU  27  17.808  -3.058  -1.063
  229   1HD2  LEU  27          HD21      LEU  27  15.727  -0.629  -1.917
  230   2HD2  LEU  27          HD22      LEU  27  16.930   0.322  -2.785
  231   3HD2  LEU  27          HD23      LEU  27  16.441   0.793  -1.158
  232    H    MET  28           HN       MET  28  14.492  -3.158   1.756
  233    HA   MET  28           HA       MET  28  16.481  -4.902   3.126
  234   1HB   MET  28          HB2       MET  28  13.490  -4.461   3.338
  235   2HB   MET  28          HB1       MET  28  14.339  -5.699   4.263
  236   1HG   MET  28          HG2       MET  28  15.864  -3.871   5.129
  237   2HG   MET  28          HG1       MET  28  14.780  -2.704   4.371
  238   1HE   MET  28          HE1       MET  28  15.438  -3.872   7.934
  239   2HE   MET  28          HE2       MET  28  15.586  -5.212   6.799
  240   3HE   MET  28          HE3       MET  28  14.338  -5.253   8.041
  241    HA   PRO  29           HA       PRO  29  15.721  -7.856  -0.157
  242   1HB   PRO  29          HB2       PRO  29  17.503  -9.734   0.731
  243   2HB   PRO  29          HB1       PRO  29  17.998  -8.269  -0.139
  244   1HG   PRO  29          HG2       PRO  29  18.098  -8.869   2.768
  245   2HG   PRO  29          HG1       PRO  29  19.231  -7.955   1.761
  246   1HD   PRO  29          HD2       PRO  29  17.377  -6.813   3.435
  247   2HD   PRO  29          HD1       PRO  29  18.078  -6.008   2.015
  248    H    GLN  30           HN       GLN  30  15.585 -10.535   0.122
  249    HA   GLN  30           HA       GLN  30  13.187 -10.991   1.690
  250   1HB   GLN  30          HB2       GLN  30  14.462 -12.128  -0.478
  251   2HB   GLN  30          HB1       GLN  30  14.760 -13.321   0.786
  252   1HG   GLN  30          HG2       GLN  30  12.602 -13.990   0.802
  253   2HG   GLN  30          HG1       GLN  30  12.008 -12.329   0.825
  254   1HE2  GLN  30          HE21      GLN  30  10.666 -12.032  -0.970
  255   2HE2  GLN  30          HE22      GLN  30  10.993 -12.606  -2.533
  256    H    LEU  31           HN       LEU  31  13.284 -11.131   3.905
  257    HA   LEU  31           HA       LEU  31  15.358 -12.904   5.125
  258   1HB   LEU  31          HB2       LEU  31  15.877 -10.348   5.079
  259   2HB   LEU  31          HB1       LEU  31  14.622 -10.226   6.312
  260    HG   LEU  31           HG       LEU  31  16.626 -12.365   6.755
  261   1HD1  LEU  31          HD11      LEU  31  18.176 -10.716   5.970
  262   2HD1  LEU  31          HD12      LEU  31  18.221 -10.633   7.732
  263   3HD1  LEU  31          HD13      LEU  31  17.327  -9.421   6.814
  264   1HD2  LEU  31          HD21      LEU  31  14.910 -11.901   8.411
  265   2HD2  LEU  31          HD22      LEU  31  15.344 -10.192   8.440
  266   3HD2  LEU  31          HD23      LEU  31  16.466 -11.396   9.073
  Start of MODEL    3
    1   1H    SER   1           HT1      SER   1 -24.551  -9.447   4.962
    2   2H    SER   1           HT2      SER   1 -23.895  -7.921   5.320
    3   3H    SER   1           HT3      SER   1 -22.961  -9.323   5.538
    4    HA   SER   1           HA       SER   1 -22.925  -9.729   3.158
    5   1HB   SER   1          HB2       SER   1 -24.678  -7.250   3.192
    6   2HB   SER   1          HB1       SER   1 -24.040  -7.991   1.727
    7    HG   SER   1           HG       SER   1 -26.054  -8.847   2.068
    8    H    GLY   2           HN       GLY   2 -21.392  -8.554   1.731
    9   1HA   GLY   2          HA2       GLY   2 -19.560  -6.862   3.289
   10   2HA   GLY   2          HA1       GLY   2 -19.273  -7.476   1.660
   11    H    SER   3           HN       SER   3 -21.078  -5.018   3.486
   12    HA   SER   3           HA       SER   3 -21.522  -3.480   0.962
   13   1HB   SER   3          HB2       SER   3 -22.644  -3.211   3.768
   14   2HB   SER   3          HB1       SER   3 -23.142  -2.244   2.383
   15    HG   SER   3           HG       SER   3 -24.298  -3.865   1.703
   16    H    TRP   4           HN       TRP   4 -19.698  -3.411   3.960
   17    HA   TRP   4           HA       TRP   4 -18.971  -0.554   3.576
   18   1HB   TRP   4          HB2       TRP   4 -17.868  -0.889   5.805
   19   2HB   TRP   4          HB1       TRP   4 -19.585  -1.267   5.806
   20    HD1  TRP   4           HD1      TRP   4 -20.300  -3.662   6.438
   21    HE1  TRP   4           HE1      TRP   4 -19.039  -5.803   7.120
   22    HE3  TRP   4           HE3      TRP   4 -15.507  -2.257   5.351
   23    HZ2  TRP   4           HZ2      TRP   4 -16.360  -6.791   7.198
   24    HZ3  TRP   4           HZ3      TRP   4 -13.625  -3.820   5.742
   25    HH2  TRP   4           HH2      TRP   4 -14.044  -6.082   6.663
   26    H    LEU   5           HN       LEU   5 -17.844  -3.455   2.401
   27    HA   LEU   5           HA       LEU   5 -15.001  -3.260   2.773
   28   1HB   LEU   5          HB2       LEU   5 -16.960  -4.743   1.148
   29   2HB   LEU   5          HB1       LEU   5 -15.406  -4.523   0.346
   30    HG   LEU   5           HG       LEU   5 -14.365  -5.291   2.593
   31   1HD1  LEU   5          HD11      LEU   5 -16.504  -5.103   3.865
   32   2HD1  LEU   5          HD12      LEU   5 -15.798  -6.714   3.964
   33   3HD1  LEU   5          HD13      LEU   5 -17.167  -6.417   2.893
   34   1HD2  LEU   5          HD21      LEU   5 -14.937  -7.749   1.963
   35   2HD2  LEU   5          HD22      LEU   5 -14.131  -6.753   0.752
   36   3HD2  LEU   5          HD23      LEU   5 -15.868  -7.039   0.645
   37    H    ARG   6           HN       ARG   6 -17.230  -1.665   0.553
   38    HA   ARG   6           HA       ARG   6 -15.410  -0.811  -1.471
   39   1HB   ARG   6          HB2       ARG   6 -18.006  -0.684  -1.227
   40   2HB   ARG   6          HB1       ARG   6 -17.697   0.855  -0.424
   41   1HG   ARG   6          HG2       ARG   6 -16.220   0.469  -2.954
   42   2HG   ARG   6          HG1       ARG   6 -17.972   0.564  -3.133
   43   1HD   ARG   6          HD2       ARG   6 -16.894   2.581  -1.275
   44   2HD   ARG   6          HD1       ARG   6 -16.301   2.757  -2.939
   45    HE   ARG   6           HE       ARG   6 -19.211   2.289  -2.601
   46   1HH1  ARG   6          HH21      ARG   6 -18.226   5.029  -1.615
   47   2HH1  ARG   6          HH22      ARG   6 -18.477   5.992  -3.031
   48   1HH2  ARG   6          HH11      ARG   6 -18.829   3.255  -5.147
   49   2HH2  ARG   6          HH12      ARG   6 -18.820   4.983  -5.041
   50    H    ASP   7           HN       ASP   7 -15.893   0.340   1.820
   51    HA   ASP   7           HA       ASP   7 -14.247   2.772   1.317
   52   1HB   ASP   7          HB2       ASP   7 -16.332   1.880   3.171
   53   2HB   ASP   7          HB1       ASP   7 -14.983   2.650   4.005
   54    H    ILE   8           HN       ILE   8 -14.197  -0.294   3.142
   55    HA   ILE   8           HA       ILE   8 -11.852   0.239   4.689
   56    HB   ILE   8           HB       ILE   8 -13.687  -1.637   4.780
   57   1HG1  ILE   8          HG12      ILE   8 -11.798  -3.210   5.763
   58   2HG1  ILE   8          HG11      ILE   8 -10.774  -1.805   5.469
   59   1HG2  ILE   8          HG21      ILE   8 -12.952  -2.465   2.449
   60   2HG2  ILE   8          HG22      ILE   8 -13.192  -3.685   3.698
   61   3HG2  ILE   8          HG23      ILE   8 -11.561  -3.165   3.274
   62   1HD1  ILE   8          HD11      ILE   8 -11.914  -1.975   7.781
   63   2HD1  ILE   8          HD12      ILE   8 -13.401  -1.551   6.934
   64   3HD1  ILE   8          HD13      ILE   8 -12.034  -0.435   6.931
   65    H    TRP   9           HN       TRP   9 -12.238  -0.770   1.328
   66    HA   TRP   9           HA       TRP   9  -9.569  -1.781   0.904
   67   1HB   TRP   9          HB2       TRP   9 -11.619  -0.485  -0.926
   68   2HB   TRP   9          HB1       TRP   9 -10.164  -1.295  -1.501
   69    HD1  TRP   9           HD1      TRP   9 -10.614  -3.529   1.037
   70    HE1  TRP   9           HE1      TRP   9 -12.232  -5.465   0.519
   71    HE3  TRP   9           HE3      TRP   9 -13.122  -1.545  -2.947
   72    HZ2  TRP   9           HZ2      TRP   9 -14.315  -6.093  -1.339
   73    HZ3  TRP   9           HZ3      TRP   9 -14.916  -2.833  -4.071
   74    HH2  TRP   9           HH2      TRP   9 -15.515  -5.103  -3.273
   75    H    ASP  10           HN       ASP  10 -11.026   1.460   0.555
   76    HA   ASP  10           HA       ASP  10  -8.730   2.795  -0.523
   77   1HB   ASP  10          HB2       ASP  10 -11.107   3.597  -0.474
   78   2HB   ASP  10          HB1       ASP  10 -10.943   3.865   1.262
   79    H    TRP  11           HN       TRP  11  -9.897   2.511   2.865
   80    HA   TRP  11           HA       TRP  11  -7.774   3.980   4.081
   81   1HB   TRP  11          HB2       TRP  11  -9.072   3.527   5.886
   82   2HB   TRP  11          HB1       TRP  11 -10.104   2.587   4.820
   83    HD1  TRP  11           HD1      TRP  11 -10.365   0.141   5.410
   84    HE1  TRP  11           HE1      TRP  11  -9.133  -1.546   6.909
   85    HE3  TRP  11           HE3      TRP  11  -6.396   2.999   6.867
   86    HZ2  TRP  11           HZ2      TRP  11  -6.776  -1.672   8.516
   87    HZ3  TRP  11           HZ3      TRP  11  -4.672   2.066   8.382
   88    HH2  TRP  11           HH2      TRP  11  -4.857  -0.261   9.209
   89    H    ILE  12           HN       ILE  12  -8.024   0.535   3.189
   90    HA   ILE  12           HA       ILE  12  -5.563  -0.312   4.432
   91    HB   ILE  12           HB       ILE  12  -7.403  -1.309   2.258
   92   1HG1  ILE  12          HG12      ILE  12  -8.100  -1.584   4.588
   93   2HG1  ILE  12          HG11      ILE  12  -7.703  -3.159   3.904
   94   1HG2  ILE  12          HG21      ILE  12  -4.709  -2.440   3.036
   95   2HG2  ILE  12          HG22      ILE  12  -5.323  -2.101   1.418
   96   3HG2  ILE  12          HG23      ILE  12  -5.980  -3.449   2.346
   97   1HD1  ILE  12          HD11      ILE  12  -5.380  -2.886   4.890
   98   2HD1  ILE  12          HD12      ILE  12  -6.673  -3.063   6.077
   99   3HD1  ILE  12          HD13      ILE  12  -5.991  -1.471   5.747
  100    H    CYS  13           HN       CYS  13  -6.341   0.992   1.210
  101    HA   CYS  13           HA       CYS  13  -3.749   0.585   0.031
  102   1HB   CYS  13          HB2       CYS  13  -6.105   1.239  -0.944
  103   2HB   CYS  13          HB1       CYS  13  -5.575   2.891  -0.624
  104    HG   CYS  13           HG       CYS  13  -4.173   2.759  -2.651
  105    H    GLU  14           HN       GLU  14  -5.100   3.128   2.096
  106    HA   GLU  14           HA       GLU  14  -2.957   5.050   1.727
  107   1HB   GLU  14          HB2       GLU  14  -5.357   5.385   2.569
  108   2HB   GLU  14          HB1       GLU  14  -4.806   4.717   4.106
  109   1HG   GLU  14          HG2       GLU  14  -3.041   6.482   4.198
  110   2HG   GLU  14          HG1       GLU  14  -3.704   7.182   2.721
  111    H    VAL  15           HN       VAL  15  -3.687   2.654   4.298
  112    HA   VAL  15           HA       VAL  15  -1.265   3.216   5.803
  113    HB   VAL  15           HB       VAL  15  -3.428   2.301   6.694
  114   1HG1  VAL  15          HG11      VAL  15  -2.514  -0.214   5.260
  115   2HG1  VAL  15          HG12      VAL  15  -3.952   0.735   4.884
  116   3HG1  VAL  15          HG13      VAL  15  -3.846  -0.132   6.413
  117   1HG2  VAL  15          HG21      VAL  15  -1.208   2.042   7.868
  118   2HG2  VAL  15          HG22      VAL  15  -1.090   0.430   7.160
  119   3HG2  VAL  15          HG23      VAL  15  -2.396   0.806   8.284
  120    H    LEU  16           HN       LEU  16  -2.033   1.082   3.116
  121    HA   LEU  16           HA       LEU  16   0.324  -0.625   3.496
  122   1HB   LEU  16          HB2       LEU  16  -1.892  -1.333   2.533
  123   2HB   LEU  16          HB1       LEU  16  -1.576  -0.298   1.145
  124    HG   LEU  16           HG       LEU  16  -1.025  -2.778   0.860
  125   1HD1  LEU  16          HD11      LEU  16   0.484  -2.201  -0.737
  126   2HD1  LEU  16          HD12      LEU  16   1.526  -1.355   0.405
  127   3HD1  LEU  16          HD13      LEU  16   0.093  -0.554  -0.241
  128   1HD2  LEU  16          HD21      LEU  16   1.535  -2.186   2.315
  129   2HD2  LEU  16          HD22      LEU  16   0.793  -3.743   1.950
  130   3HD2  LEU  16          HD23      LEU  16   0.132  -2.730   3.234
  131    H    SER  17           HN       SER  17  -0.628   2.043   1.299
  132    HA   SER  17           HA       SER  17   1.676   1.988  -0.388
  133   1HB   SER  17          HB2       SER  17   0.997   4.409  -0.776
  134   2HB   SER  17          HB1       SER  17  -0.297   3.233  -0.984
  135    HG   SER  17           HG       SER  17  -1.281   4.026   0.710
  136    H    ASP  18           HN       ASP  18   1.069   3.947   2.568
  137    HA   ASP  18           HA       ASP  18   3.569   5.304   2.660
  138   1HB   ASP  18          HB2       ASP  18   1.258   5.155   4.159
  139   2HB   ASP  18          HB1       ASP  18   2.436   4.409   5.241
  140    H    PHE  19           HN       PHE  19   2.631   2.076   3.820
  141    HA   PHE  19           HA       PHE  19   5.135   1.460   5.137
  142   1HB   PHE  19          HB2       PHE  19   2.712   0.424   5.260
  143   2HB   PHE  19          HB1       PHE  19   3.281  -0.580   3.926
  144    HD1  PHE  19           HD1      PHE  19   3.972   0.417   7.445
  145    HD2  PHE  19           HD2      PHE  19   4.834  -2.357   4.279
  146    HE1  PHE  19           HE1      PHE  19   5.189  -1.033   9.046
  147    HE2  PHE  19           HE2      PHE  19   6.050  -3.807   5.882
  148    HZ   PHE  19           HZ       PHE  19   6.229  -3.145   8.265
  149    H    LYS  20           HN       LYS  20   3.867   0.912   1.837
  150    HA   LYS  20           HA       LYS  20   5.984  -0.776   0.893
  151   1HB   LYS  20          HB2       LYS  20   3.701  -0.250  -0.135
  152   2HB   LYS  20          HB1       LYS  20   4.411   1.260  -0.706
  153   1HG   LYS  20          HG2       LYS  20   6.053   0.093  -2.019
  154   2HG   LYS  20          HG1       LYS  20   5.627  -1.453  -1.287
  155   1HD   LYS  20          HD2       LYS  20   3.773   0.229  -3.004
  156   2HD   LYS  20          HD1       LYS  20   4.650  -1.195  -3.560
  157   1HE   LYS  20          HE2       LYS  20   2.532  -1.127  -1.376
  158   2HE   LYS  20          HE1       LYS  20   2.378  -1.876  -2.976
  159   1HZ   LYS  20          HZ1       LYS  20   3.068  -3.662  -1.733
  160   2HZ   LYS  20          HZ2       LYS  20   4.010  -2.721  -0.678
  161   3HZ   LYS  20          HZ3       LYS  20   4.572  -3.068  -2.246
  162    H    THR  21           HN       THR  21   5.597   2.785   0.874
  163    HA   THR  21           HA       THR  21   7.955   3.433  -0.605
  164    HB   THR  21           HB       THR  21   6.467   4.869   1.624
  165    HG1  THR  21           HG1      THR  21   5.096   5.256   0.101
  166   1HG2  THR  21          HG21      THR  21   8.449   6.087   1.519
  167   2HG2  THR  21          HG22      THR  21   7.488   6.895   0.280
  168   3HG2  THR  21          HG23      THR  21   8.710   5.711  -0.184
  169    H    TRP  22           HN       TRP  22   7.443   2.943   2.897
  170    HA   TRP  22           HA       TRP  22  10.166   3.512   3.689
  171   1HB   TRP  22          HB2       TRP  22   8.470   3.669   5.338
  172   2HB   TRP  22          HB1       TRP  22   7.755   2.126   4.876
  173    HD1  TRP  22           HD1      TRP  22  10.686   3.615   6.826
  174    HE1  TRP  22           HE1      TRP  22  11.684   1.786   8.346
  175    HE3  TRP  22           HE3      TRP  22   8.045  -0.431   5.181
  176    HZ2  TRP  22           HZ2      TRP  22  11.397  -1.029   8.798
  177    HZ3  TRP  22           HZ3      TRP  22   8.423  -2.669   6.170
  178    HH2  TRP  22           HH2      TRP  22  10.094  -2.975   7.972
  179    H    LEU  23           HN       LEU  23   8.397   0.506   2.901
  180    HA   LEU  23           HA       LEU  23  10.551  -1.311   3.510
  181   1HB   LEU  23          HB2       LEU  23   7.856  -1.372   2.622
  182   2HB   LEU  23          HB1       LEU  23   8.797  -2.266   1.429
  183    HG   LEU  23           HG       LEU  23   9.203  -2.736   4.376
  184   1HD1  LEU  23          HD11      LEU  23   6.749  -2.995   3.627
  185   2HD1  LEU  23          HD12      LEU  23   7.501  -4.377   4.426
  186   3HD1  LEU  23          HD13      LEU  23   7.321  -4.364   2.672
  187   1HD2  LEU  23          HD21      LEU  23  10.120  -4.825   3.641
  188   2HD2  LEU  23          HD22      LEU  23  10.797  -3.590   2.580
  189   3HD2  LEU  23          HD23      LEU  23   9.475  -4.611   2.014
  190    H    LYS  24           HN       LYS  24   9.528   0.286   0.470
  191    HA   LYS  24           HA       LYS  24  11.330  -1.035  -1.303
  192   1HB   LYS  24          HB2       LYS  24   9.340   0.730  -1.571
  193   2HB   LYS  24          HB1       LYS  24  10.682   1.872  -1.628
  194   1HG   LYS  24          HG2       LYS  24  11.671   0.747  -3.507
  195   2HG   LYS  24          HG1       LYS  24  10.556  -0.611  -3.355
  196   1HD   LYS  24          HD2       LYS  24   9.383   2.115  -3.713
  197   2HD   LYS  24          HD1       LYS  24  10.124   1.347  -5.117
  198   1HE   LYS  24          HE2       LYS  24   8.707  -0.720  -4.575
  199   2HE   LYS  24          HE1       LYS  24   7.810   0.320  -3.451
  200   1HZ   LYS  24          HZ1       LYS  24   6.823   0.351  -5.678
  201   2HZ   LYS  24          HZ2       LYS  24   8.288   0.907  -6.330
  202   3HZ   LYS  24          HZ3       LYS  24   7.412   1.883  -5.247
  203    H    ALA  25           HN       ALA  25  11.754   1.996   0.566
  204    HA   ALA  25           HA       ALA  25  14.407   2.603  -0.326
  205   1HB   ALA  25          HB1       ALA  25  12.877   4.160   0.829
  206   2HB   ALA  25          HB2       ALA  25  14.407   4.040   1.697
  207   3HB   ALA  25          HB3       ALA  25  12.985   3.184   2.294
  208    H    LYS  26           HN       LYS  26  13.192   0.462   2.223
  209    HA   LYS  26           HA       LYS  26  15.763   0.013   3.505
  210   1HB   LYS  26          HB2       LYS  26  13.278  -0.312   4.301
  211   2HB   LYS  26          HB1       LYS  26  13.430  -1.895   3.536
  212   1HG   LYS  26          HG2       LYS  26  14.614  -2.679   5.282
  213   2HG   LYS  26          HG1       LYS  26  15.777  -1.361   5.131
  214   1HD   LYS  26          HD2       LYS  26  13.278  -0.391   6.241
  215   2HD   LYS  26          HD1       LYS  26  13.905  -1.731   7.200
  216   1HE   LYS  26          HE2       LYS  26  14.933   0.224   8.125
  217   2HE   LYS  26          HE1       LYS  26  16.185  -0.498   7.095
  218   1HZ   LYS  26          HZ1       LYS  26  15.730   1.954   6.739
  219   2HZ   LYS  26          HZ2       LYS  26  14.241   1.493   6.066
  220   3HZ   LYS  26          HZ3       LYS  26  15.694   0.979   5.352
  221    H    LEU  27           HN       LEU  27  13.997  -1.504   0.837
  222    HA   LEU  27           HA       LEU  27  15.699  -3.873   0.693
  223   1HB   LEU  27          HB2       LEU  27  13.337  -2.722  -0.587
  224   2HB   LEU  27          HB1       LEU  27  14.409  -3.485  -1.762
  225    HG   LEU  27           HG       LEU  27  14.493  -5.439  -0.005
  226   1HD1  LEU  27          HD11      LEU  27  11.802  -4.204   0.641
  227   2HD1  LEU  27          HD12      LEU  27  13.213  -4.069   1.691
  228   3HD1  LEU  27          HD13      LEU  27  12.511  -5.652   1.354
  229   1HD2  LEU  27          HD21      LEU  27  12.640  -6.511  -1.148
  230   2HD2  LEU  27          HD22      LEU  27  13.475  -5.482  -2.311
  231   3HD2  LEU  27          HD23      LEU  27  11.954  -4.949  -1.594
  232    H    MET  28           HN       MET  28  15.383  -0.921  -1.339
  233    HA   MET  28           HA       MET  28  17.896  -1.607  -2.754
  234   1HB   MET  28          HB2       MET  28  15.531   0.141  -3.118
  235   2HB   MET  28          HB1       MET  28  17.045   0.796  -3.741
  236   1HG   MET  28          HG2       MET  28  17.379  -1.052  -5.191
  237   2HG   MET  28          HG1       MET  28  16.175  -2.031  -4.352
  238   1HE   MET  28          HE1       MET  28  14.842  -2.755  -6.262
  239   2HE   MET  28          HE2       MET  28  16.011  -2.027  -7.362
  240   3HE   MET  28          HE3       MET  28  14.288  -1.748  -7.605
  241    HA   PRO  29           HA       PRO  29  20.087   0.987   0.156
  242   1HB   PRO  29          HB2       PRO  29  22.566   0.647  -0.951
  243   2HB   PRO  29          HB1       PRO  29  21.791  -0.569   0.084
  244   1HG   PRO  29          HG2       PRO  29  22.019  -0.476  -2.880
  245   2HG   PRO  29          HG1       PRO  29  22.120  -1.862  -1.782
  246   1HD   PRO  29          HD2       PRO  29  19.903  -1.255  -3.259
  247   2HD   PRO  29          HD1       PRO  29  19.852  -2.142  -1.720
  248    H    GLN  30           HN       GLN  30  19.895   1.375  -3.291
  249    HA   GLN  30           HA       GLN  30  20.893   4.195  -3.050
  250   1HB   GLN  30          HB2       GLN  30  21.816   2.109  -4.611
  251   2HB   GLN  30          HB1       GLN  30  20.745   2.962  -5.722
  252   1HG   GLN  30          HG2       GLN  30  21.951   4.995  -5.502
  253   2HG   GLN  30          HG1       GLN  30  22.796   4.430  -4.059
  254   1HE2  GLN  30          HE21      GLN  30  24.877   3.640  -4.433
  255   2HE2  GLN  30          HE22      GLN  30  25.446   3.071  -5.928
  256    H    LEU  31           HN       LEU  31  18.060   2.906  -2.769
  257    HA   LEU  31           HA       LEU  31  16.666   4.967  -4.357
  258   1HB   LEU  31          HB2       LEU  31  17.117   2.546  -5.529
  259   2HB   LEU  31          HB1       LEU  31  15.591   2.216  -4.712
  260    HG   LEU  31           HG       LEU  31  15.110   3.036  -6.946
  261   1HD1  LEU  31          HD11      LEU  31  14.618   5.429  -5.187
  262   2HD1  LEU  31          HD12      LEU  31  13.822   3.893  -4.846
  263   3HD1  LEU  31          HD13      LEU  31  13.553   4.701  -6.390
  264   1HD2  LEU  31          HD21      LEU  31  16.633   5.553  -6.218
  265   2HD2  LEU  31          HD22      LEU  31  15.934   5.139  -7.783
  266   3HD2  LEU  31          HD23      LEU  31  17.327   4.244  -7.175
  Start of MODEL    4
    1   1H    SER   1           HT1      SER   1 -26.719   1.850   8.860
    2   2H    SER   1           HT2      SER   1 -26.966   2.960   7.598
    3   3H    SER   1           HT3      SER   1 -25.409   2.728   8.236
    4    HA   SER   1           HA       SER   1 -25.417   0.421   7.418
    5   1HB   SER   1          HB2       SER   1 -27.364  -0.083   5.850
    6   2HB   SER   1          HB1       SER   1 -27.788   0.033   7.555
    7    HG   SER   1           HG       SER   1 -29.130   1.239   5.984
    8    H    GLY   2           HN       GLY   2 -24.987  -0.048   5.024
    9   1HA   GLY   2          HA2       GLY   2 -25.057   1.923   2.991
   10   2HA   GLY   2          HA1       GLY   2 -23.513   2.095   3.825
   11    H    SER   3           HN       SER   3 -22.265   1.337   2.058
   12    HA   SER   3           HA       SER   3 -22.794  -1.438   1.088
   13   1HB   SER   3          HB2       SER   3 -21.693   1.051   0.027
   14   2HB   SER   3          HB1       SER   3 -20.641  -0.323  -0.303
   15    HG   SER   3           HG       SER   3 -23.333   0.104  -1.034
   16    H    TRP   4           HN       TRP   4 -20.093   0.571   2.343
   17    HA   TRP   4           HA       TRP   4 -18.149  -0.016   3.514
   18   1HB   TRP   4          HB2       TRP   4 -20.228  -2.010   4.210
   19   2HB   TRP   4          HB1       TRP   4 -18.574  -2.511   4.554
   20    HD1  TRP   4           HD1      TRP   4 -21.238  -1.066   6.333
   21    HE1  TRP   4           HE1      TRP   4 -20.471   0.551   8.191
   22    HE3  TRP   4           HE3      TRP   4 -16.418  -0.240   4.853
   23    HZ2  TRP   4           HZ2      TRP   4 -18.124   2.000   8.947
   24    HZ3  TRP   4           HZ3      TRP   4 -14.941   1.260   6.159
   25    HH2  TRP   4           HH2      TRP   4 -15.788   2.381   8.203
   26    H    LEU   5           HN       LEU   5 -16.556  -2.073   3.714
   27    HA   LEU   5           HA       LEU   5 -15.059  -3.505   2.600
   28   1HB   LEU   5          HB2       LEU   5 -17.501  -3.888   0.827
   29   2HB   LEU   5          HB1       LEU   5 -16.065  -4.906   0.790
   30    HG   LEU   5           HG       LEU   5 -17.012  -4.623   3.510
   31   1HD1  LEU   5          HD11      LEU   5 -18.984  -5.816   1.539
   32   2HD1  LEU   5          HD12      LEU   5 -19.197  -4.259   2.340
   33   3HD1  LEU   5          HD13      LEU   5 -19.162  -5.743   3.293
   34   1HD2  LEU   5          HD21      LEU   5 -17.067  -7.121   3.310
   35   2HD2  LEU   5          HD22      LEU   5 -15.548  -6.419   2.755
   36   3HD2  LEU   5          HD23      LEU   5 -16.751  -6.953   1.583
   37    H    ARG   6           HN       ARG   6 -16.927  -2.244  -0.191
   38    HA   ARG   6           HA       ARG   6 -14.626  -1.624  -1.781
   39   1HB   ARG   6          HB2       ARG   6 -17.485  -0.606  -1.715
   40   2HB   ARG   6          HB1       ARG   6 -16.347  -0.171  -2.989
   41   1HG   ARG   6          HG2       ARG   6 -17.003  -2.058  -4.045
   42   2HG   ARG   6          HG1       ARG   6 -16.101  -2.939  -2.814
   43   1HD   ARG   6          HD2       ARG   6 -18.037  -3.834  -2.055
   44   2HD   ARG   6          HD1       ARG   6 -18.639  -2.204  -1.690
   45    HE   ARG   6           HE       ARG   6 -19.449  -2.076  -4.043
   46   1HH1  ARG   6          HH11      ARG   6 -17.653  -4.583  -4.701
   47   2HH1  ARG   6          HH12      ARG   6 -18.896  -5.744  -5.028
   48   1HH2  ARG   6          HH21      ARG   6 -21.430  -3.809  -3.642
   49   2HH2  ARG   6          HH22      ARG   6 -21.042  -5.304  -4.424
   50    H    ASP   7           HN       ASP   7 -16.190   0.044   0.853
   51    HA   ASP   7           HA       ASP   7 -14.731   2.584   0.326
   52   1HB   ASP   7          HB2       ASP   7 -16.755   1.851   2.471
   53   2HB   ASP   7          HB1       ASP   7 -16.256   3.476   2.001
   54    H    ILE   8           HN       ILE   8 -14.536  -0.295   2.284
   55    HA   ILE   8           HA       ILE   8 -12.929   0.991   4.402
   56    HB   ILE   8           HB       ILE   8 -14.693  -0.972   4.515
   57   1HG1  ILE   8          HG12      ILE   8 -12.072  -1.265   6.002
   58   2HG1  ILE   8          HG11      ILE   8 -13.237   0.009   6.353
   59   1HG2  ILE   8          HG21      ILE   8 -13.790  -3.180   4.324
   60   2HG2  ILE   8          HG22      ILE   8 -12.151  -2.566   4.112
   61   3HG2  ILE   8          HG23      ILE   8 -13.345  -2.345   2.837
   62   1HD1  ILE   8          HD11      ILE   8 -14.151  -1.503   7.784
   63   2HD1  ILE   8          HD12      ILE   8 -13.357  -2.866   6.994
   64   3HD1  ILE   8          HD13      ILE   8 -14.852  -2.210   6.327
   65    H    TRP   9           HN       TRP   9 -12.401  -0.888   1.465
   66    HA   TRP   9           HA       TRP   9  -9.718  -1.763   2.059
   67   1HB   TRP   9          HB2       TRP   9 -11.089  -1.188  -0.593
   68   2HB   TRP   9          HB1       TRP   9  -9.634  -2.158  -0.387
   69    HD1  TRP   9           HD1      TRP   9 -10.873  -3.533   2.388
   70    HE1  TRP   9           HE1      TRP   9 -12.560  -5.455   2.067
   71    HE3  TRP   9           HE3      TRP   9 -12.302  -2.662  -2.439
   72    HZ2  TRP   9           HZ2      TRP   9 -14.281  -6.493   0.033
   73    HZ3  TRP   9           HZ3      TRP   9 -13.964  -4.133  -3.542
   74    HH2  TRP   9           HH2      TRP   9 -14.955  -6.046  -2.313
   75    H    ASP  10           HN       ASP  10 -11.024   1.126   0.405
   76    HA   ASP  10           HA       ASP  10  -8.609   2.300  -0.492
   77   1HB   ASP  10          HB2       ASP  10 -10.862   3.103  -1.048
   78   2HB   ASP  10          HB1       ASP  10 -11.138   3.553   0.636
   79    H    TRP  11           HN       TRP  11 -10.166   2.458   2.718
   80    HA   TRP  11           HA       TRP  11  -8.430   4.332   3.971
   81   1HB   TRP  11          HB2       TRP  11 -10.195   3.844   5.351
   82   2HB   TRP  11          HB1       TRP  11 -10.377   2.224   4.692
   83    HD1  TRP  11           HD1      TRP  11  -7.236   3.564   6.475
   84    HE1  TRP  11           HE1      TRP  11  -6.800   2.133   8.564
   85    HE3  TRP  11           HE3      TRP  11 -11.369   0.594   6.361
   86    HZ2  TRP  11           HZ2      TRP  11  -8.043   0.003  10.004
   87    HZ3  TRP  11           HZ3      TRP  11 -11.716  -1.134   8.101
   88    HH2  TRP  11           HH2      TRP  11 -10.064  -1.434   9.921
   89    H    ILE  12           HN       ILE  12  -8.234   0.754   3.912
   90    HA   ILE  12           HA       ILE  12  -5.664   0.617   5.217
   91    HB   ILE  12           HB       ILE  12  -7.293  -1.264   3.490
   92   1HG1  ILE  12          HG12      ILE  12  -8.272  -0.565   5.661
   93   2HG1  ILE  12          HG11      ILE  12  -7.862  -2.275   5.657
   94   1HG2  ILE  12          HG21      ILE  12  -4.647  -1.635   4.865
   95   2HG2  ILE  12          HG22      ILE  12  -5.178  -2.234   3.293
   96   3HG2  ILE  12          HG23      ILE  12  -5.771  -2.990   4.772
   97   1HD1  ILE  12          HD11      ILE  12  -6.381  -0.008   6.983
   98   2HD1  ILE  12          HD12      ILE  12  -5.612  -1.565   6.683
   99   3HD1  ILE  12          HD13      ILE  12  -7.030  -1.469   7.725
  100    H    CYS  13           HN       CYS  13  -6.650   1.009   1.849
  101    HA   CYS  13           HA       CYS  13  -4.195   0.227   0.601
  102   1HB   CYS  13          HB2       CYS  13  -6.547   0.720  -0.367
  103   2HB   CYS  13          HB1       CYS  13  -6.051   2.414  -0.358
  104    HG   CYS  13           HG       CYS  13  -4.939   1.901  -2.508
  105    H    GLU  14           HN       GLU  14  -5.301   3.342   1.944
  106    HA   GLU  14           HA       GLU  14  -2.977   4.858   1.075
  107   1HB   GLU  14          HB2       GLU  14  -5.376   5.598   1.789
  108   2HB   GLU  14          HB1       GLU  14  -4.753   5.489   3.436
  109   1HG   GLU  14          HG2       GLU  14  -2.838   6.894   1.820
  110   2HG   GLU  14          HG1       GLU  14  -4.424   7.629   1.587
  111    H    VAL  15           HN       VAL  15  -3.944   3.312   4.154
  112    HA   VAL  15           HA       VAL  15  -1.621   4.076   5.668
  113    HB   VAL  15           HB       VAL  15  -3.547   1.731   5.880
  114   1HG1  VAL  15          HG11      VAL  15  -1.406   1.393   7.145
  115   2HG1  VAL  15          HG12      VAL  15  -2.818   1.526   8.194
  116   3HG1  VAL  15          HG13      VAL  15  -1.725   2.898   8.008
  117   1HG2  VAL  15          HG21      VAL  15  -3.629   4.076   7.716
  118   2HG2  VAL  15          HG22      VAL  15  -4.955   3.128   7.044
  119   3HG2  VAL  15          HG23      VAL  15  -4.164   4.358   6.059
  120    H    LEU  16           HN       LEU  16  -2.278   1.332   3.500
  121    HA   LEU  16           HA       LEU  16   0.101  -0.177   4.196
  122   1HB   LEU  16          HB2       LEU  16  -2.110  -0.894   3.041
  123   2HB   LEU  16          HB1       LEU  16  -1.383  -0.260   1.565
  124    HG   LEU  16           HG       LEU  16   0.673  -1.737   2.263
  125   1HD1  LEU  16          HD11      LEU  16  -0.273  -3.871   3.378
  126   2HD1  LEU  16          HD12      LEU  16  -1.606  -2.845   3.906
  127   3HD1  LEU  16          HD13      LEU  16   0.041  -2.483   4.420
  128   1HD2  LEU  16          HD21      LEU  16  -0.225  -3.574   0.951
  129   2HD2  LEU  16          HD22      LEU  16  -0.841  -2.064   0.280
  130   3HD2  LEU  16          HD23      LEU  16  -1.879  -3.065   1.296
  131    H    SER  17           HN       SER  17  -0.565   2.468   1.944
  132    HA   SER  17           HA       SER  17   1.598   2.218   0.139
  133   1HB   SER  17          HB2       SER  17  -0.394   3.891   0.301
  134   2HB   SER  17          HB1       SER  17   0.688   4.851   1.307
  135    HG   SER  17           HG       SER  17   0.693   5.231  -1.065
  136    H    ASP  18           HN       ASP  18   1.570   4.093   3.225
  137    HA   ASP  18           HA       ASP  18   4.319   4.833   3.206
  138   1HB   ASP  18          HB2       ASP  18   2.124   4.507   5.195
  139   2HB   ASP  18          HB1       ASP  18   3.761   4.582   5.848
  140    H    PHE  19           HN       PHE  19   2.722   1.889   4.449
  141    HA   PHE  19           HA       PHE  19   5.100   0.674   5.548
  142   1HB   PHE  19          HB2       PHE  19   2.601   0.190   5.965
  143   2HB   PHE  19          HB1       PHE  19   2.656  -0.747   4.472
  144    HD1  PHE  19           HD1      PHE  19   3.828  -2.854   4.347
  145    HD2  PHE  19           HD2      PHE  19   3.981  -0.473   7.918
  146    HE1  PHE  19           HE1      PHE  19   4.822  -4.763   5.576
  147    HE2  PHE  19           HE2      PHE  19   4.975  -2.383   9.149
  148    HZ   PHE  19           HZ       PHE  19   5.396  -4.529   7.978
  149    H    LYS  20           HN       LYS  20   3.888   0.996   2.289
  150    HA   LYS  20           HA       LYS  20   5.705  -1.163   1.308
  151   1HB   LYS  20          HB2       LYS  20   3.098  -0.529   0.739
  152   2HB   LYS  20          HB1       LYS  20   3.944   0.316  -0.557
  153   1HG   LYS  20          HG2       LYS  20   4.969  -2.397  -0.073
  154   2HG   LYS  20          HG1       LYS  20   3.280  -2.368  -0.577
  155   1HD   LYS  20          HD2       LYS  20   5.350  -0.732  -2.038
  156   2HD   LYS  20          HD1       LYS  20   5.108  -2.435  -2.424
  157   1HE   LYS  20          HE2       LYS  20   2.534  -1.135  -2.249
  158   2HE   LYS  20          HE1       LYS  20   3.579  -0.243  -3.372
  159   1HZ   LYS  20          HZ1       LYS  20   3.073  -3.176  -3.385
  160   2HZ   LYS  20          HZ2       LYS  20   4.186  -2.381  -4.397
  161   3HZ   LYS  20          HZ3       LYS  20   2.524  -2.057  -4.536
  162    H    THR  21           HN       THR  21   6.040   2.005   2.059
  163    HA   THR  21           HA       THR  21   7.475   2.792  -0.435
  164    HB   THR  21           HB       THR  21   6.509   4.273   2.033
  165    HG1  THR  21           HG1      THR  21   5.772   4.278  -0.707
  166   1HG2  THR  21          HG21      THR  21   7.189   6.321   0.632
  167   2HG2  THR  21          HG22      THR  21   8.189   5.204  -0.297
  168   3HG2  THR  21          HG23      THR  21   8.487   5.431   1.426
  169    H    TRP  22           HN       TRP  22   7.979   2.443   3.106
  170    HA   TRP  22           HA       TRP  22  10.727   3.251   3.092
  171   1HB   TRP  22          HB2       TRP  22  10.738   2.343   5.335
  172   2HB   TRP  22          HB1       TRP  22   9.190   3.123   5.062
  173    HD1  TRP  22           HD1      TRP  22   7.065   1.695   5.309
  174    HE1  TRP  22           HE1      TRP  22   6.604  -0.766   5.923
  175    HE3  TRP  22           HE3      TRP  22  11.797  -0.205   5.010
  176    HZ2  TRP  22           HZ2      TRP  22   8.042  -3.208   6.250
  177    HZ3  TRP  22           HZ3      TRP  22  12.222  -2.598   5.484
  178    HH2  TRP  22           HH2      TRP  22  10.351  -4.102   6.101
  179    H    LEU  23           HN       LEU  23   9.182   0.195   2.274
  180    HA   LEU  23           HA       LEU  23  11.492  -1.511   2.516
  181   1HB   LEU  23          HB2       LEU  23   8.832  -1.526   1.156
  182   2HB   LEU  23          HB1       LEU  23  10.028  -2.699   0.606
  183    HG   LEU  23           HG       LEU  23   9.853  -2.471   3.530
  184   1HD1  LEU  23          HD11      LEU  23   7.437  -2.199   2.497
  185   2HD1  LEU  23          HD12      LEU  23   7.710  -3.269   3.872
  186   3HD1  LEU  23          HD13      LEU  23   7.588  -3.939   2.245
  187   1HD2  LEU  23          HD21      LEU  23  10.200  -4.794   3.426
  188   2HD2  LEU  23          HD22      LEU  23  11.045  -4.206   1.994
  189   3HD2  LEU  23          HD23      LEU  23   9.444  -4.930   1.838
  190    H    LYS  24           HN       LYS  24  10.229   0.522  -0.124
  191    HA   LYS  24           HA       LYS  24  12.078  -0.318  -2.161
  192   1HB   LYS  24          HB2       LYS  24   9.879   1.026  -2.303
  193   2HB   LYS  24          HB1       LYS  24  10.847   2.429  -1.849
  194   1HG   LYS  24          HG2       LYS  24  12.416   1.667  -3.797
  195   2HG   LYS  24          HG1       LYS  24  11.010   0.755  -4.345
  196   1HD   LYS  24          HD2       LYS  24  10.273   3.466  -3.591
  197   2HD   LYS  24          HD1       LYS  24  11.528   3.466  -4.831
  198   1HE   LYS  24          HE2       LYS  24  10.180   2.051  -6.283
  199   2HE   LYS  24          HE1       LYS  24   8.955   1.854  -5.014
  200   1HZ   LYS  24          HZ1       LYS  24   8.574   4.218  -5.013
  201   2HZ   LYS  24          HZ2       LYS  24   8.389   3.637  -6.598
  202   3HZ   LYS  24          HZ3       LYS  24   9.804   4.466  -6.155
  203    H    ALA  25           HN       ALA  25  12.277   2.087   0.449
  204    HA   ALA  25           HA       ALA  25  14.602   3.507  -0.420
  205   1HB   ALA  25          HB1       ALA  25  13.023   4.105   1.439
  206   2HB   ALA  25          HB2       ALA  25  14.716   4.172   1.931
  207   3HB   ALA  25          HB3       ALA  25  13.715   2.796   2.397
  208    H    LYS  26           HN       LYS  26  14.198   0.412   1.259
  209    HA   LYS  26           HA       LYS  26  17.108   0.081   1.684
  210   1HB   LYS  26          HB2       LYS  26  15.509  -0.657   3.380
  211   2HB   LYS  26          HB1       LYS  26  14.658  -1.645   2.194
  212   1HG   LYS  26          HG2       LYS  26  17.564  -2.184   2.453
  213   2HG   LYS  26          HG1       LYS  26  16.583  -2.621   3.851
  214   1HD   LYS  26          HD2       LYS  26  15.123  -3.485   1.592
  215   2HD   LYS  26          HD1       LYS  26  16.794  -3.960   1.294
  216   1HE   LYS  26          HE2       LYS  26  16.030  -5.793   2.535
  217   2HE   LYS  26          HE1       LYS  26  16.666  -4.764   3.833
  218   1HZ   LYS  26          HZ1       LYS  26  13.863  -4.627   2.848
  219   2HZ   LYS  26          HZ2       LYS  26  14.514  -3.852   4.213
  220   3HZ   LYS  26          HZ3       LYS  26  14.335  -5.542   4.196
  221    H    LEU  27           HN       LEU  27  14.562  -1.015  -0.523
  222    HA   LEU  27           HA       LEU  27  16.221  -3.092  -1.770
  223   1HB   LEU  27          HB2       LEU  27  13.569  -2.702  -1.459
  224   2HB   LEU  27          HB1       LEU  27  13.764  -1.986  -3.058
  225    HG   LEU  27           HG       LEU  27  13.214  -4.381  -3.231
  226   1HD1  LEU  27          HD11      LEU  27  16.127  -3.994  -3.957
  227   2HD1  LEU  27          HD12      LEU  27  14.815  -3.220  -4.845
  228   3HD1  LEU  27          HD13      LEU  27  14.924  -4.978  -4.791
  229   1HD2  LEU  27          HD21      LEU  27  14.467  -6.079  -2.212
  230   2HD2  LEU  27          HD22      LEU  27  14.465  -4.828  -0.968
  231   3HD2  LEU  27          HD23      LEU  27  15.879  -5.044  -1.999
  232    H    MET  28           HN       MET  28  14.693  -0.112  -3.101
  233    HA   MET  28           HA       MET  28  16.746  -0.057  -5.251
  234   1HB   MET  28          HB2       MET  28  14.190   0.155  -5.528
  235   2HB   MET  28          HB1       MET  28  14.375   1.778  -4.860
  236   1HG   MET  28          HG2       MET  28  14.519   2.109  -7.197
  237   2HG   MET  28          HG1       MET  28  16.201   2.100  -6.666
  238   1HE   MET  28          HE1       MET  28  15.737   1.729  -9.627
  239   2HE   MET  28          HE2       MET  28  16.795   0.360  -9.957
  240   3HE   MET  28          HE3       MET  28  17.289   1.584  -8.790
  241    HA   PRO  29           HA       PRO  29  18.827   3.066  -2.781
  242   1HB   PRO  29          HB2       PRO  29  21.019   3.279  -4.404
  243   2HB   PRO  29          HB1       PRO  29  20.803   1.954  -3.245
  244   1HG   PRO  29          HG2       PRO  29  20.396   1.980  -6.186
  245   2HG   PRO  29          HG1       PRO  29  21.020   0.696  -5.141
  246   1HD   PRO  29          HD2       PRO  29  18.466   0.770  -6.147
  247   2HD   PRO  29          HD1       PRO  29  18.942  -0.109  -4.678
  248    H    GLN  30           HN       GLN  30  20.093   5.210  -3.657
  249    HA   GLN  30           HA       GLN  30  18.148   6.910  -4.871
  250   1HB   GLN  30          HB2       GLN  30  20.543   7.165  -3.538
  251   2HB   GLN  30          HB1       GLN  30  20.992   7.658  -5.170
  252   1HG   GLN  30          HG2       GLN  30  18.439   8.762  -4.113
  253   2HG   GLN  30          HG1       GLN  30  19.922   9.370  -3.378
  254   1HE2  GLN  30          HE21      GLN  30  21.410  10.593  -4.740
  255   2HE2  GLN  30          HE22      GLN  30  20.946  11.158  -6.272
  256    H    LEU  31           HN       LEU  31  17.636   7.219  -7.005
  257    HA   LEU  31           HA       LEU  31  19.613   6.429  -9.107
  258   1HB   LEU  31          HB2       LEU  31  17.851   5.182 -10.254
  259   2HB   LEU  31          HB1       LEU  31  17.998   4.586  -8.603
  260    HG   LEU  31           HG       LEU  31  16.155   6.671  -8.392
  261   1HD1  LEU  31          HD11      LEU  31  14.448   6.021 -10.127
  262   2HD1  LEU  31          HD12      LEU  31  15.700   5.071 -10.926
  263   3HD1  LEU  31          HD13      LEU  31  15.873   6.821 -10.790
  264   1HD2  LEU  31          HD21      LEU  31  16.091   4.488  -7.234
  265   2HD2  LEU  31          HD22      LEU  31  15.657   3.697  -8.749
  266   3HD2  LEU  31          HD23      LEU  31  14.542   4.841  -8.001
  Start of MODEL    5
    1   1H    SER   1           HT1      SER   1 -18.863  -1.896  -7.641
    2   2H    SER   1           HT2      SER   1 -18.858  -2.803  -6.203
    3   3H    SER   1           HT3      SER   1 -19.097  -1.122  -6.149
    4    HA   SER   1           HA       SER   1 -21.196  -1.421  -7.428
    5   1HB   SER   1          HB2       SER   1 -21.942  -3.889  -7.405
    6   2HB   SER   1          HB1       SER   1 -20.679  -3.459  -8.554
    7    HG   SER   1           HG       SER   1 -20.601  -5.201  -6.508
    8    H    GLY   2           HN       GLY   2 -22.848  -0.960  -6.004
    9   1HA   GLY   2          HA2       GLY   2 -24.246  -1.494  -4.080
   10   2HA   GLY   2          HA1       GLY   2 -22.863  -2.300  -3.340
   11    H    SER   3           HN       SER   3 -23.847  -0.711  -1.576
   12    HA   SER   3           HA       SER   3 -22.525   1.972  -1.824
   13   1HB   SER   3          HB2       SER   3 -24.907   0.897  -0.306
   14   2HB   SER   3          HB1       SER   3 -24.175   2.444   0.110
   15    HG   SER   3           HG       SER   3 -25.212   3.248  -1.521
   16    H    TRP   4           HN       TRP   4 -21.058  -0.460  -1.072
   17    HA   TRP   4           HA       TRP   4 -20.021   0.445   1.555
   18   1HB   TRP   4          HB2       TRP   4 -21.680  -1.928   1.050
   19   2HB   TRP   4          HB1       TRP   4 -20.168  -2.313   1.867
   20    HD1  TRP   4           HD1      TRP   4 -23.525  -0.735   2.401
   21    HE1  TRP   4           HE1      TRP   4 -23.738   0.065   4.841
   22    HE3  TRP   4           HE3      TRP   4 -18.680  -1.291   3.948
   23    HZ2  TRP   4           HZ2      TRP   4 -22.081   0.421   7.142
   24    HZ3  TRP   4           HZ3      TRP   4 -18.032  -0.713   6.267
   25    HH2  TRP   4           HH2      TRP   4 -19.724   0.141   7.865
   26    H    LEU   5           HN       LEU   5 -18.237  -1.510   2.085
   27    HA   LEU   5           HA       LEU   5 -15.973  -1.930   1.535
   28   1HB   LEU   5          HB2       LEU   5 -15.958  -3.791  -0.191
   29   2HB   LEU   5          HB1       LEU   5 -17.069  -4.017   1.152
   30    HG   LEU   5           HG       LEU   5 -18.812  -2.884  -0.473
   31   1HD1  LEU   5          HD11      LEU   5 -16.523  -3.664  -2.253
   32   2HD1  LEU   5          HD12      LEU   5 -17.569  -2.248  -2.344
   33   3HD1  LEU   5          HD13      LEU   5 -18.175  -3.824  -2.851
   34   1HD2  LEU   5          HD21      LEU   5 -19.221  -5.193  -1.485
   35   2HD2  LEU   5          HD22      LEU   5 -19.130  -5.128   0.275
   36   3HD2  LEU   5          HD23      LEU   5 -17.751  -5.708  -0.658
   37    H    ARG   6           HN       ARG   6 -16.694   0.584   0.341
   38    HA   ARG   6           HA       ARG   6 -15.379   0.467  -2.345
   39   1HB   ARG   6          HB2       ARG   6 -17.636   1.563  -1.978
   40   2HB   ARG   6          HB1       ARG   6 -16.826   2.746  -0.952
   41   1HG   ARG   6          HG2       ARG   6 -15.533   2.355  -3.572
   42   2HG   ARG   6          HG1       ARG   6 -17.169   3.006  -3.671
   43   1HD   ARG   6          HD2       ARG   6 -15.080   4.165  -1.799
   44   2HD   ARG   6          HD1       ARG   6 -15.324   4.761  -3.452
   45    HE   ARG   6           HE       ARG   6 -17.848   4.900  -2.638
   46   1HH1  ARG   6          HH21      ARG   6 -16.805   4.399   0.219
   47   2HH1  ARG   6          HH22      ARG   6 -16.749   6.017   0.830
   48   1HH2  ARG   6          HH11      ARG   6 -16.997   7.492  -2.311
   49   2HH2  ARG   6          HH12      ARG   6 -16.862   7.777  -0.608
   50    H    ASP   7           HN       ASP   7 -15.307   2.356   0.704
   51    HA   ASP   7           HA       ASP   7 -12.527   3.229   0.059
   52   1HB   ASP   7          HB2       ASP   7 -12.961   5.024   1.562
   53   2HB   ASP   7          HB1       ASP   7 -14.475   4.799   0.688
   54    H    ILE   8           HN       ILE   8 -14.232   0.938   2.017
   55    HA   ILE   8           HA       ILE   8 -12.605   0.825   4.355
   56    HB   ILE   8           HB       ILE   8 -14.821  -0.345   3.758
   57   1HG1  ILE   8          HG12      ILE   8 -12.695  -2.136   4.963
   58   2HG1  ILE   8          HG11      ILE   8 -13.392  -0.758   5.815
   59   1HG2  ILE   8          HG21      ILE   8 -14.692  -2.525   2.720
   60   2HG2  ILE   8          HG22      ILE   8 -12.933  -2.442   2.650
   61   3HG2  ILE   8          HG23      ILE   8 -13.906  -1.371   1.642
   62   1HD1  ILE   8          HD11      ILE   8 -15.151  -2.885   4.597
   63   2HD1  ILE   8          HD12      ILE   8 -15.548  -1.723   5.863
   64   3HD1  ILE   8          HD13      ILE   8 -14.473  -3.075   6.213
   65    H    TRP   9           HN       TRP   9 -12.072  -0.422   1.090
   66    HA   TRP   9           HA       TRP   9  -9.727  -2.022   1.817
   67   1HB   TRP   9          HB2       TRP   9 -11.413  -1.463  -0.504
   68   2HB   TRP   9          HB1       TRP   9  -9.705  -1.475  -0.938
   69    HD1  TRP   9           HD1      TRP   9  -8.328  -3.723  -0.494
   70    HE1  TRP   9           HE1      TRP   9  -9.096  -6.173  -0.261
   71    HE3  TRP   9           HE3      TRP   9 -13.320  -3.012   0.330
   72    HZ2  TRP   9           HZ2      TRP   9 -11.505  -7.637   0.213
   73    HZ3  TRP   9           HZ3      TRP   9 -14.825  -4.952   0.668
   74    HH2  TRP   9           HH2      TRP   9 -13.925  -7.261   0.611
   75    H    ASP  10           HN       ASP  10 -10.349   1.196   0.409
   76    HA   ASP  10           HA       ASP  10  -7.635   1.881  -0.214
   77   1HB   ASP  10          HB2       ASP  10 -10.183   3.383   0.391
   78   2HB   ASP  10          HB1       ASP  10  -8.682   4.256   0.087
   79    H    TRP  11           HN       TRP  11  -9.564   2.224   2.769
   80    HA   TRP  11           HA       TRP  11  -7.708   3.797   4.270
   81   1HB   TRP  11          HB2       TRP  11  -9.567   3.667   5.561
   82   2HB   TRP  11          HB1       TRP  11 -10.168   2.312   4.619
   83    HD1  TRP  11           HD1      TRP  11 -10.569   0.243   5.996
   84    HE1  TRP  11           HE1      TRP  11  -9.596  -0.784   8.149
   85    HE3  TRP  11           HE3      TRP  11  -6.968   3.702   7.079
   86    HZ2  TRP  11           HZ2      TRP  11  -7.563  -0.216  10.077
   87    HZ3  TRP  11           HZ3      TRP  11  -5.530   3.429   9.077
   88    HH2  TRP  11           HH2      TRP  11  -5.823   1.479  10.577
   89    H    ILE  12           HN       ILE  12  -7.966   0.263   3.804
   90    HA   ILE  12           HA       ILE  12  -5.648  -0.265   5.548
   91    HB   ILE  12           HB       ILE  12  -7.581  -1.845   3.857
   92   1HG1  ILE  12          HG12      ILE  12  -8.302  -1.279   6.094
   93   2HG1  ILE  12          HG11      ILE  12  -7.902  -2.995   6.079
   94   1HG2  ILE  12          HG21      ILE  12  -4.940  -2.797   4.974
   95   2HG2  ILE  12          HG22      ILE  12  -5.601  -3.046   3.357
   96   3HG2  ILE  12          HG23      ILE  12  -6.292  -3.904   4.734
   97   1HD1  ILE  12          HD11      ILE  12  -6.856  -2.179   8.041
   98   2HD1  ILE  12          HD12      ILE  12  -6.304  -0.709   7.238
   99   3HD1  ILE  12          HD13      ILE  12  -5.548  -2.258   6.860
  100    H    CYS  13           HN       CYS  13  -6.291   0.133   2.096
  101    HA   CYS  13           HA       CYS  13  -3.781  -1.011   1.184
  102   1HB   CYS  13          HB2       CYS  13  -5.918  -0.751  -0.126
  103   2HB   CYS  13          HB1       CYS  13  -5.631   0.990  -0.155
  104    HG   CYS  13           HG       CYS  13  -4.357   0.412  -2.223
  105    H    GLU  14           HN       GLU  14  -4.899   2.324   1.861
  106    HA   GLU  14           HA       GLU  14  -2.516   3.657   0.951
  107   1HB   GLU  14          HB2       GLU  14  -4.835   4.596   1.404
  108   2HB   GLU  14          HB1       GLU  14  -4.448   4.519   3.123
  109   1HG   GLU  14          HG2       GLU  14  -2.480   5.862   1.318
  110   2HG   GLU  14          HG1       GLU  14  -3.974   6.723   1.687
  111    H    VAL  15           HN       VAL  15  -3.565   2.764   4.279
  112    HA   VAL  15           HA       VAL  15  -1.235   3.655   5.643
  113    HB   VAL  15           HB       VAL  15  -3.448   2.976   6.612
  114   1HG1  VAL  15          HG11      VAL  15  -3.988   0.661   6.940
  115   2HG1  VAL  15          HG12      VAL  15  -2.415   0.144   6.333
  116   3HG1  VAL  15          HG13      VAL  15  -3.596   0.854   5.232
  117   1HG2  VAL  15          HG21      VAL  15  -0.832   1.928   7.644
  118   2HG2  VAL  15          HG22      VAL  15  -2.315   1.542   8.518
  119   3HG2  VAL  15          HG23      VAL  15  -1.845   3.224   8.279
  120    H    LEU  16           HN       LEU  16  -1.840   0.617   3.899
  121    HA   LEU  16           HA       LEU  16   0.673  -0.612   4.822
  122   1HB   LEU  16          HB2       LEU  16  -1.741  -1.531   3.896
  123   2HB   LEU  16          HB1       LEU  16  -0.762  -1.654   2.438
  124    HG   LEU  16           HG       LEU  16  -0.605  -3.753   3.637
  125   1HD1  LEU  16          HD11      LEU  16   1.758  -3.961   3.812
  126   2HD1  LEU  16          HD12      LEU  16   1.950  -2.268   4.265
  127   3HD1  LEU  16          HD13      LEU  16   1.489  -2.692   2.617
  128   1HD2  LEU  16          HD21      LEU  16   0.054  -3.923   5.940
  129   2HD2  LEU  16          HD22      LEU  16  -1.227  -2.712   5.872
  130   3HD2  LEU  16          HD23      LEU  16   0.457  -2.207   6.016
  131    H    SER  17           HN       SER  17  -0.608   0.745   1.759
  132    HA   SER  17           HA       SER  17   1.736   0.411   0.164
  133   1HB   SER  17          HB2       SER  17  -0.570   1.032  -0.600
  134   2HB   SER  17          HB1       SER  17  -0.343   2.628   0.109
  135    HG   SER  17           HG       SER  17   0.304   2.900  -1.938
  136    H    ASP  18           HN       ASP  18   0.747   3.052   2.361
  137    HA   ASP  18           HA       ASP  18   2.881   4.872   1.787
  138   1HB   ASP  18          HB2       ASP  18   0.846   5.421   3.072
  139   2HB   ASP  18          HB1       ASP  18   1.338   4.305   4.347
  140    H    PHE  19           HN       PHE  19   2.602   2.171   4.095
  141    HA   PHE  19           HA       PHE  19   5.251   2.491   5.245
  142   1HB   PHE  19          HB2       PHE  19   3.068   1.283   6.084
  143   2HB   PHE  19          HB1       PHE  19   3.668  -0.075   5.132
  144    HD1  PHE  19           HD1      PHE  19   4.331   2.109   8.036
  145    HD2  PHE  19           HD2      PHE  19   5.692  -1.267   5.751
  146    HE1  PHE  19           HE1      PHE  19   5.910   1.513   9.854
  147    HE2  PHE  19           HE2      PHE  19   7.270  -1.862   7.569
  148    HZ   PHE  19           HZ       PHE  19   7.379  -0.472   9.620
  149    H    LYS  20           HN       LYS  20   3.853   0.584   2.584
  150    HA   LYS  20           HA       LYS  20   6.166  -1.058   2.060
  151   1HB   LYS  20          HB2       LYS  20   3.588  -1.046   1.291
  152   2HB   LYS  20          HB1       LYS  20   4.286  -0.244  -0.117
  153   1HG   LYS  20          HG2       LYS  20   5.450  -2.113  -0.779
  154   2HG   LYS  20          HG1       LYS  20   5.690  -2.678   0.875
  155   1HD   LYS  20          HD2       LYS  20   3.902  -4.033   0.722
  156   2HD   LYS  20          HD1       LYS  20   2.872  -2.680   0.252
  157   1HE   LYS  20          HE2       LYS  20   3.371  -2.978  -2.074
  158   2HE   LYS  20          HE1       LYS  20   4.713  -4.080  -1.712
  159   1HZ   LYS  20          HZ1       LYS  20   1.893  -4.594  -0.921
  160   2HZ   LYS  20          HZ2       LYS  20   3.206  -5.668  -0.803
  161   3HZ   LYS  20          HZ3       LYS  20   2.601  -5.225  -2.328
  162    H    THR  21           HN       THR  21   5.028   2.034   0.633
  163    HA   THR  21           HA       THR  21   7.123   2.321  -1.302
  164    HB   THR  21           HB       THR  21   5.365   4.281   0.212
  165    HG1  THR  21           HG1      THR  21   4.041   3.374  -1.148
  166   1HG2  THR  21          HG21      THR  21   7.301   5.525  -0.551
  167   2HG2  THR  21          HG22      THR  21   5.954   5.884  -1.630
  168   3HG2  THR  21          HG23      THR  21   7.217   4.763  -2.139
  169    H    TRP  22           HN       TRP  22   6.864   3.430   2.089
  170    HA   TRP  22           HA       TRP  22   9.416   4.795   2.149
  171   1HB   TRP  22          HB2       TRP  22   7.836   5.439   3.771
  172   2HB   TRP  22          HB1       TRP  22   7.380   3.774   4.125
  173    HD1  TRP  22           HD1      TRP  22  10.039   6.397   4.910
  174    HE1  TRP  22           HE1      TRP  22  11.419   5.601   6.939
  175    HE3  TRP  22           HE3      TRP  22   8.191   1.667   5.433
  176    HZ2  TRP  22           HZ2      TRP  22  11.699   3.262   8.568
  177    HZ3  TRP  22           HZ3      TRP  22   9.027   0.178   7.226
  178    HH2  TRP  22           HH2      TRP  22  10.777   0.967   8.792
  179    H    LEU  23           HN       LEU  23   8.354   1.510   3.099
  180    HA   LEU  23           HA       LEU  23  10.932   0.691   4.132
  181   1HB   LEU  23          HB2       LEU  23   8.642  -0.259   4.651
  182   2HB   LEU  23          HB1       LEU  23   8.668  -1.014   3.059
  183    HG   LEU  23           HG       LEU  23  10.523  -2.396   3.626
  184   1HD1  LEU  23          HD11      LEU  23  11.564  -2.086   5.993
  185   2HD1  LEU  23          HD12      LEU  23  10.869  -0.467   5.918
  186   3HD1  LEU  23          HD13      LEU  23  12.054  -0.973   4.714
  187   1HD2  LEU  23          HD21      LEU  23   9.758  -3.556   5.659
  188   2HD2  LEU  23          HD22      LEU  23   8.384  -3.094   4.653
  189   3HD2  LEU  23          HD23      LEU  23   8.777  -2.155   6.094
  190    H    LYS  24           HN       LYS  24   9.290   0.241   0.980
  191    HA   LYS  24           HA       LYS  24  11.273  -1.448  -0.218
  192   1HB   LYS  24          HB2       LYS  24   8.885  -0.919  -0.951
  193   2HB   LYS  24          HB1       LYS  24   9.514   0.596  -1.599
  194   1HG   LYS  24          HG2       LYS  24  11.252  -1.443  -2.520
  195   2HG   LYS  24          HG1       LYS  24   9.612  -2.042  -2.763
  196   1HD   LYS  24          HD2       LYS  24   9.738  -0.820  -4.688
  197   2HD   LYS  24          HD1       LYS  24   9.312   0.517  -3.621
  198   1HE   LYS  24          HE2       LYS  24  11.420   1.434  -3.709
  199   2HE   LYS  24          HE1       LYS  24  12.214  -0.152  -3.780
  200   1HZ   LYS  24          HZ1       LYS  24  11.471  -0.426  -6.039
  201   2HZ   LYS  24          HZ2       LYS  24  12.311   1.046  -5.920
  202   3HZ   LYS  24          HZ3       LYS  24  10.613   1.037  -5.990
  203    H    ALA  25           HN       ALA  25  11.127   2.064   0.202
  204    HA   ALA  25           HA       ALA  25  13.034   2.873  -1.758
  205   1HB   ALA  25          HB1       ALA  25  13.293   4.832  -0.184
  206   2HB   ALA  25          HB2       ALA  25  12.321   3.944   0.990
  207   3HB   ALA  25          HB3       ALA  25  11.614   4.432  -0.549
  208    H    LYS  26           HN       LYS  26  13.513   1.916   1.664
  209    HA   LYS  26           HA       LYS  26  16.465   1.972   1.291
  210   1HB   LYS  26          HB2       LYS  26  14.997   2.858   3.294
  211   2HB   LYS  26          HB1       LYS  26  15.004   1.167   3.798
  212   1HG   LYS  26          HG2       LYS  26  17.595   1.346   3.392
  213   2HG   LYS  26          HG1       LYS  26  17.309   3.079   3.556
  214   1HD   LYS  26          HD2       LYS  26  16.266   2.723   5.750
  215   2HD   LYS  26          HD1       LYS  26  16.482   0.981   5.585
  216   1HE   LYS  26          HE2       LYS  26  18.351   1.618   6.888
  217   2HE   LYS  26          HE1       LYS  26  19.020   1.593   5.246
  218   1HZ   LYS  26          HZ1       LYS  26  19.508   3.686   6.427
  219   2HZ   LYS  26          HZ2       LYS  26  17.842   3.990   6.559
  220   3HZ   LYS  26          HZ3       LYS  26  18.582   3.937   5.029
  221    H    LEU  27           HN       LEU  27  13.831  -0.321   2.042
  222    HA   LEU  27           HA       LEU  27  15.756  -2.577   1.566
  223   1HB   LEU  27          HB2       LEU  27  14.919  -2.269   3.906
  224   2HB   LEU  27          HB1       LEU  27  13.273  -2.455   3.314
  225    HG   LEU  27           HG       LEU  27  14.680  -4.516   4.304
  226   1HD1  LEU  27          HD11      LEU  27  12.996  -4.975   1.848
  227   2HD1  LEU  27          HD12      LEU  27  12.286  -4.343   3.334
  228   3HD1  LEU  27          HD13      LEU  27  13.066  -5.923   3.332
  229   1HD2  LEU  27          HD21      LEU  27  15.753  -5.826   2.609
  230   2HD2  LEU  27          HD22      LEU  27  16.419  -4.199   2.460
  231   3HD2  LEU  27          HD23      LEU  27  15.187  -4.757   1.326
  232    H    MET  28           HN       MET  28  15.290  -2.918  -0.641
  233    HA   MET  28           HA       MET  28  12.510  -3.041  -1.596
  234   1HB   MET  28          HB2       MET  28  14.121  -2.055  -3.050
  235   2HB   MET  28          HB1       MET  28  15.255  -3.380  -2.822
  236   1HG   MET  28          HG2       MET  28  14.323  -3.821  -4.941
  237   2HG   MET  28          HG1       MET  28  13.397  -4.868  -3.868
  238   1HE   MET  28          HE1       MET  28   9.942  -4.066  -4.471
  239   2HE   MET  28          HE2       MET  28  11.106  -4.794  -3.368
  240   3HE   MET  28          HE3       MET  28  11.171  -5.180  -5.085
  241    HA   PRO  29           HA       PRO  29  13.576  -7.661  -2.187
  242   1HB   PRO  29          HB2       PRO  29  15.916  -8.645  -1.164
  243   2HB   PRO  29          HB1       PRO  29  15.781  -7.984  -2.806
  244   1HG   PRO  29          HG2       PRO  29  16.882  -6.733  -0.346
  245   2HG   PRO  29          HG1       PRO  29  17.430  -6.604  -2.024
  246   1HD   PRO  29          HD2       PRO  29  15.972  -4.681  -0.732
  247   2HD   PRO  29          HD1       PRO  29  15.993  -4.900  -2.495
  248    H    GLN  30           HN       GLN  30  13.540  -9.604  -0.646
  249    HA   GLN  30           HA       GLN  30  12.452 -10.426   1.301
  250   1HB   GLN  30          HB2       GLN  30  14.083 -10.315   3.184
  251   2HB   GLN  30          HB1       GLN  30  14.852 -10.709   1.651
  252   1HG   GLN  30          HG2       GLN  30  15.651  -8.431   1.397
  253   2HG   GLN  30          HG1       GLN  30  14.737  -7.909   2.812
  254   1HE2  GLN  30          HE21      GLN  30  17.642  -9.616   1.758
  255   2HE2  GLN  30          HE22      GLN  30  18.323  -9.785   3.305
  256    H    LEU  31           HN       LEU  31  10.906  -8.337   0.776
  257    HA   LEU  31           HA       LEU  31  10.910  -6.414   3.032
  258   1HB   LEU  31          HB2       LEU  31   9.178  -5.307   1.705
  259   2HB   LEU  31          HB1       LEU  31  10.525  -5.741   0.656
  260    HG   LEU  31           HG       LEU  31   8.916  -7.999   0.560
  261   1HD1  LEU  31          HD11      LEU  31   7.036  -7.007   1.640
  262   2HD1  LEU  31          HD12      LEU  31   6.669  -6.950  -0.084
  263   3HD1  LEU  31          HD13      LEU  31   7.227  -5.499   0.748
  264   1HD2  LEU  31          HD21      LEU  31   8.953  -5.580  -1.275
  265   2HD2  LEU  31          HD22      LEU  31   8.359  -7.179  -1.722
  266   3HD2  LEU  31          HD23      LEU  31  10.065  -6.949  -1.339
  Start of MODEL    6
    1   1H    SER   1           HT1      SER   1 -16.383   4.364  10.590
    2   2H    SER   1           HT2      SER   1 -17.999   4.268  10.075
    3   3H    SER   1           HT3      SER   1 -17.601   5.155  11.468
    4    HA   SER   1           HA       SER   1 -17.963   6.738   9.738
    5   1HB   SER   1          HB2       SER   1 -15.538   7.589   9.610
    6   2HB   SER   1          HB1       SER   1 -16.176   7.289  11.223
    7    HG   SER   1           HG       SER   1 -14.046   6.385  10.761
    8    H    GLY   2           HN       GLY   2 -16.897   7.616   7.623
    9   1HA   GLY   2          HA2       GLY   2 -16.111   7.270   5.409
   10   2HA   GLY   2          HA1       GLY   2 -15.766   5.591   5.824
   11    H    SER   3           HN       SER   3 -16.828   4.715   3.985
   12    HA   SER   3           HA       SER   3 -19.815   5.026   3.998
   13   1HB   SER   3          HB2       SER   3 -19.635   4.744   1.515
   14   2HB   SER   3          HB1       SER   3 -18.797   6.179   2.098
   15    HG   SER   3           HG       SER   3 -16.897   5.239   1.715
   16    H    TRP   4           HN       TRP   4 -17.529   2.847   2.289
   17    HA   TRP   4           HA       TRP   4 -18.432   0.520   3.845
   18   1HB   TRP   4          HB2       TRP   4 -19.950   1.369   1.684
   19   2HB   TRP   4          HB1       TRP   4 -18.932   0.114   0.979
   20    HD1  TRP   4           HD1      TRP   4 -22.037  -0.313   1.376
   21    HE1  TRP   4           HE1      TRP   4 -22.883  -2.229   2.873
   22    HE3  TRP   4           HE3      TRP   4 -17.875  -1.117   4.248
   23    HZ2  TRP   4           HZ2      TRP   4 -21.935  -3.882   4.999
   24    HZ3  TRP   4           HZ3      TRP   4 -17.884  -2.868   5.997
   25    HH2  TRP   4           HH2      TRP   4 -19.905  -4.250   6.376
   26    H    LEU   5           HN       LEU   5 -17.695  -1.436   1.890
   27    HA   LEU   5           HA       LEU   5 -14.911  -1.698   2.237
   28   1HB   LEU   5          HB2       LEU   5 -17.055  -2.863   0.562
   29   2HB   LEU   5          HB1       LEU   5 -15.424  -3.085  -0.071
   30    HG   LEU   5           HG       LEU   5 -14.766  -3.899   2.254
   31   1HD1  LEU   5          HD11      LEU   5 -16.752  -4.815   3.562
   32   2HD1  LEU   5          HD12      LEU   5 -17.779  -3.809   2.540
   33   3HD1  LEU   5          HD13      LEU   5 -16.573  -3.061   3.587
   34   1HD2  LEU   5          HD21      LEU   5 -15.342  -6.108   1.716
   35   2HD2  LEU   5          HD22      LEU   5 -15.466  -5.302   0.152
   36   3HD2  LEU   5          HD23      LEU   5 -16.922  -5.645   1.086
   37    H    ARG   6           HN       ARG   6 -16.685   0.012  -0.317
   38    HA   ARG   6           HA       ARG   6 -14.641   0.346  -2.256
   39   1HB   ARG   6          HB2       ARG   6 -17.006   0.996  -2.526
   40   2HB   ARG   6          HB1       ARG   6 -16.810   2.256  -1.308
   41   1HG   ARG   6          HG2       ARG   6 -16.575   3.427  -3.340
   42   2HG   ARG   6          HG1       ARG   6 -14.908   3.146  -2.839
   43   1HD   ARG   6          HD2       ARG   6 -15.242   0.897  -4.256
   44   2HD   ARG   6          HD1       ARG   6 -16.441   1.907  -5.091
   45    HE   ARG   6           HE       ARG   6 -13.528   2.508  -4.889
   46   1HH1  ARG   6          HH21      ARG   6 -14.937   2.148  -7.518
   47   2HH1  ARG   6          HH22      ARG   6 -15.192   3.787  -8.019
   48   1HH2  ARG   6          HH11      ARG   6 -14.612   5.115  -4.857
   49   2HH2  ARG   6          HH12      ARG   6 -15.005   5.475  -6.505
   50    H    ASP   7           HN       ASP   7 -15.214   2.070   0.789
   51    HA   ASP   7           HA       ASP   7 -12.813   3.783   0.324
   52   1HB   ASP   7          HB2       ASP   7 -14.769   5.012   0.917
   53   2HB   ASP   7          HB1       ASP   7 -15.224   3.840   2.153
   54    H    ILE   8           HN       ILE   8 -14.180   1.348   2.526
   55    HA   ILE   8           HA       ILE   8 -12.207   1.448   4.583
   56    HB   ILE   8           HB       ILE   8 -14.503  -0.062   3.825
   57   1HG1  ILE   8          HG12      ILE   8 -14.299  -0.817   6.256
   58   2HG1  ILE   8          HG11      ILE   8 -12.789   0.093   6.309
   59   1HG2  ILE   8          HG21      ILE   8 -13.782  -2.338   4.606
   60   2HG2  ILE   8          HG22      ILE   8 -12.108  -1.795   4.496
   61   3HG2  ILE   8          HG23      ILE   8 -13.106  -1.880   3.043
   62   1HD1  ILE   8          HD11      ILE   8 -15.405   1.320   5.410
   63   2HD1  ILE   8          HD12      ILE   8 -13.910   2.155   5.831
   64   3HD1  ILE   8          HD13      ILE   8 -14.859   1.361   7.087
   65    H    TRP   9           HN       TRP   9 -12.265  -0.343   1.494
   66    HA   TRP   9           HA       TRP   9  -9.864  -1.882   1.977
   67   1HB   TRP   9          HB2       TRP   9 -11.478  -1.026  -0.424
   68   2HB   TRP   9          HB1       TRP   9  -9.962  -1.893  -0.643
   69    HD1  TRP   9           HD1      TRP   9 -11.471  -3.066   2.481
   70    HE1  TRP   9           HE1      TRP   9 -12.698  -5.306   2.134
   71    HE3  TRP   9           HE3      TRP   9 -11.649  -3.195  -2.622
   72    HZ2  TRP   9           HZ2      TRP   9 -13.630  -6.937  -0.023
   73    HZ3  TRP   9           HZ3      TRP   9 -12.711  -5.101  -3.794
   74    HH2  TRP   9           HH2      TRP   9 -13.700  -6.971  -2.502
   75    H    ASP  10           HN       ASP  10 -10.492   1.268   0.433
   76    HA   ASP  10           HA       ASP  10  -7.838   1.793  -0.500
   77   1HB   ASP  10          HB2       ASP  10 -10.338   3.309   0.122
   78   2HB   ASP  10          HB1       ASP  10  -8.856   4.249  -0.068
   79    H    TRP  11           HN       TRP  11  -9.409   2.384   2.649
   80    HA   TRP  11           HA       TRP  11  -7.269   3.937   3.794
   81   1HB   TRP  11          HB2       TRP  11  -8.938   4.148   5.308
   82   2HB   TRP  11          HB1       TRP  11  -9.847   2.888   4.489
   83    HD1  TRP  11           HD1      TRP  11 -10.427   0.925   5.962
   84    HE1  TRP  11           HE1      TRP  11  -9.448  -0.169   8.078
   85    HE3  TRP  11           HE3      TRP  11  -6.281   3.837   6.631
   86    HZ2  TRP  11           HZ2      TRP  11  -7.210   0.146   9.824
   87    HZ3  TRP  11           HZ3      TRP  11  -4.747   3.412   8.529
   88    HH2  TRP  11           HH2      TRP  11  -5.206   1.574  10.125
   89    H    ILE  12           HN       ILE  12  -7.984   0.427   3.796
   90    HA   ILE  12           HA       ILE  12  -5.672  -0.264   5.433
   91    HB   ILE  12           HB       ILE  12  -7.704  -1.706   3.730
   92   1HG1  ILE  12          HG12      ILE  12  -8.409  -1.010   5.950
   93   2HG1  ILE  12          HG11      ILE  12  -8.203  -2.760   5.953
   94   1HG2  ILE  12          HG21      ILE  12  -6.614  -3.845   4.669
   95   2HG2  ILE  12          HG22      ILE  12  -5.186  -2.849   4.952
   96   3HG2  ILE  12          HG23      ILE  12  -5.800  -3.064   3.313
   97   1HD1  ILE  12          HD11      ILE  12  -5.818  -2.321   6.804
   98   2HD1  ILE  12          HD12      ILE  12  -7.129  -2.010   7.941
   99   3HD1  ILE  12          HD13      ILE  12  -6.350  -0.667   7.106
  100    H    CYS  13           HN       CYS  13  -6.344  -0.104   1.944
  101    HA   CYS  13           HA       CYS  13  -3.845  -1.309   1.109
  102   1HB   CYS  13          HB2       CYS  13  -5.950  -1.152  -0.232
  103   2HB   CYS  13          HB1       CYS  13  -5.726   0.595  -0.328
  104    HG   CYS  13           HG       CYS  13  -4.427  -0.006  -2.373
  105    H    GLU  14           HN       GLU  14  -4.931   2.059   1.609
  106    HA   GLU  14           HA       GLU  14  -2.498   3.288   0.628
  107   1HB   GLU  14          HB2       GLU  14  -4.811   4.297   0.849
  108   2HB   GLU  14          HB1       GLU  14  -4.543   4.365   2.592
  109   1HG   GLU  14          HG2       GLU  14  -2.244   5.525   1.650
  110   2HG   GLU  14          HG1       GLU  14  -3.419   6.054   0.446
  111    H    VAL  15           HN       VAL  15  -3.710   2.658   3.966
  112    HA   VAL  15           HA       VAL  15  -1.427   3.696   5.336
  113    HB   VAL  15           HB       VAL  15  -3.723   3.088   6.243
  114   1HG1  VAL  15          HG11      VAL  15  -3.607   0.746   5.181
  115   2HG1  VAL  15          HG12      VAL  15  -4.234   0.846   6.825
  116   3HG1  VAL  15          HG13      VAL  15  -2.578   0.308   6.543
  117   1HG2  VAL  15          HG21      VAL  15  -2.785   2.259   8.441
  118   2HG2  VAL  15          HG22      VAL  15  -1.970   3.681   7.790
  119   3HG2  VAL  15          HG23      VAL  15  -1.224   2.090   7.637
  120    H    LEU  16           HN       LEU  16  -2.005   0.508   3.878
  121    HA   LEU  16           HA       LEU  16   0.442  -0.657   5.029
  122   1HB   LEU  16          HB2       LEU  16  -1.654  -1.935   4.526
  123   2HB   LEU  16          HB1       LEU  16  -1.409  -1.606   2.810
  124    HG   LEU  16           HG       LEU  16   1.033  -2.653   3.913
  125   1HD1  LEU  16          HD11      LEU  16   0.017  -4.994   4.345
  126   2HD1  LEU  16          HD12      LEU  16  -1.503  -4.137   4.596
  127   3HD1  LEU  16          HD13      LEU  16  -0.117  -3.796   5.631
  128   1HD2  LEU  16          HD21      LEU  16   0.152  -2.700   1.530
  129   2HD2  LEU  16          HD22      LEU  16  -0.946  -3.983   2.040
  130   3HD2  LEU  16          HD23      LEU  16   0.798  -4.235   2.111
  131    H    SER  17           HN       SER  17  -0.650   0.551   1.841
  132    HA   SER  17           HA       SER  17   1.729  -0.053   0.371
  133   1HB   SER  17          HB2       SER  17  -0.468   0.583  -0.594
  134   2HB   SER  17          HB1       SER  17  -0.284   2.205   0.067
  135    HG   SER  17           HG       SER  17   1.141   2.664  -1.442
  136    H    ASP  18           HN       ASP  18   0.776   2.892   2.186
  137    HA   ASP  18           HA       ASP  18   3.082   4.464   1.563
  138   1HB   ASP  18          HB2       ASP  18   0.810   4.985   2.777
  139   2HB   ASP  18          HB1       ASP  18   1.685   4.515   4.235
  140    H    PHE  19           HN       PHE  19   2.474   2.084   4.151
  141    HA   PHE  19           HA       PHE  19   4.980   2.443   5.540
  142   1HB   PHE  19          HB2       PHE  19   2.693   1.264   6.149
  143   2HB   PHE  19          HB1       PHE  19   3.458  -0.151   5.426
  144    HD1  PHE  19           HD1      PHE  19   5.509  -1.118   6.397
  145    HD2  PHE  19           HD2      PHE  19   3.507   2.211   8.233
  146    HE1  PHE  19           HE1      PHE  19   6.801  -1.490   8.481
  147    HE2  PHE  19           HE2      PHE  19   4.799   1.838  10.316
  148    HZ   PHE  19           HZ       PHE  19   6.446  -0.012  10.440
  149    H    LYS  20           HN       LYS  20   3.935   0.306   2.875
  150    HA   LYS  20           HA       LYS  20   6.456  -1.176   2.788
  151   1HB   LYS  20          HB2       LYS  20   4.063  -1.873   2.069
  152   2HB   LYS  20          HB1       LYS  20   4.384  -0.948   0.599
  153   1HG   LYS  20          HG2       LYS  20   6.626  -2.351   0.577
  154   2HG   LYS  20          HG1       LYS  20   5.693  -3.464   1.577
  155   1HD   LYS  20          HD2       LYS  20   3.858  -3.162  -0.278
  156   2HD   LYS  20          HD1       LYS  20   5.215  -2.624  -1.269
  157   1HE   LYS  20          HE2       LYS  20   5.191  -4.944  -1.683
  158   2HE   LYS  20          HE1       LYS  20   6.374  -4.822  -0.367
  159   1HZ   LYS  20          HZ1       LYS  20   3.458  -5.305  -0.014
  160   2HZ   LYS  20          HZ2       LYS  20   4.611  -5.210   1.231
  161   3HZ   LYS  20          HZ3       LYS  20   4.664  -6.491   0.117
  162    H    THR  21           HN       THR  21   5.014   1.549   0.996
  163    HA   THR  21           HA       THR  21   6.961   1.776  -1.081
  164    HB   THR  21           HB       THR  21   5.232   3.817   0.361
  165    HG1  THR  21           HG1      THR  21   3.846   2.611  -0.686
  166   1HG2  THR  21          HG21      THR  21   6.668   5.253  -0.729
  167   2HG2  THR  21          HG22      THR  21   5.563   4.906  -2.059
  168   3HG2  THR  21          HG23      THR  21   7.106   4.059  -1.950
  169    H    TRP  22           HN       TRP  22   6.851   3.242   2.189
  170    HA   TRP  22           HA       TRP  22   9.268   4.779   1.938
  171   1HB   TRP  22          HB2       TRP  22   7.445   5.037   3.649
  172   2HB   TRP  22          HB1       TRP  22   7.989   3.536   4.399
  173    HD1  TRP  22           HD1      TRP  22   8.805   7.202   4.116
  174    HE1  TRP  22           HE1      TRP  22  10.827   7.753   5.619
  175    HE3  TRP  22           HE3      TRP  22  10.277   2.482   5.374
  176    HZ2  TRP  22           HZ2      TRP  22  12.810   6.367   7.155
  177    HZ3  TRP  22           HZ3      TRP  22  12.229   2.122   6.855
  178    HH2  TRP  22           HH2      TRP  22  13.496   4.054   7.746
  179    H    LEU  23           HN       LEU  23   8.676   1.554   3.417
  180    HA   LEU  23           HA       LEU  23  11.388   0.990   4.116
  181   1HB   LEU  23          HB2       LEU  23   8.808  -0.353   3.946
  182   2HB   LEU  23          HB1       LEU  23  10.110  -1.435   3.460
  183    HG   LEU  23           HG       LEU  23   9.871  -1.697   5.828
  184   1HD1  LEU  23          HD11      LEU  23  12.232  -1.237   4.803
  185   2HD1  LEU  23          HD12      LEU  23  12.052  -1.245   6.557
  186   3HD1  LEU  23          HD13      LEU  23  12.133   0.285   5.687
  187   1HD2  LEU  23          HD21      LEU  23   9.005  -0.055   7.094
  188   2HD2  LEU  23          HD22      LEU  23   9.072   1.037   5.711
  189   3HD2  LEU  23          HD23      LEU  23  10.440   0.933   6.821
  190    H    LYS  24           HN       LYS  24   9.563   0.322   1.113
  191    HA   LYS  24           HA       LYS  24  11.736  -1.100  -0.189
  192   1HB   LYS  24          HB2       LYS  24   9.103  -0.916  -0.600
  193   2HB   LYS  24          HB1       LYS  24   9.605   0.368  -1.699
  194   1HG   LYS  24          HG2       LYS  24   9.665  -1.506  -3.094
  195   2HG   LYS  24          HG1       LYS  24  11.340  -1.405  -2.552
  196   1HD   LYS  24          HD2       LYS  24  11.189  -3.308  -1.300
  197   2HD   LYS  24          HD1       LYS  24   9.538  -2.958  -0.787
  198   1HE   LYS  24          HE2       LYS  24   9.214  -4.813  -2.195
  199   2HE   LYS  24          HE1       LYS  24   8.964  -3.469  -3.325
  200   1HZ   LYS  24          HZ1       LYS  24  11.498  -4.957  -2.861
  201   2HZ   LYS  24          HZ2       LYS  24  11.376  -3.552  -3.811
  202   3HZ   LYS  24          HZ3       LYS  24  10.560  -4.967  -4.274
  203    H    ALA  25           HN       ALA  25  10.658   2.296  -0.123
  204    HA   ALA  25           HA       ALA  25  12.435   3.246  -2.197
  205   1HB   ALA  25          HB1       ALA  25  11.098   4.590   0.177
  206   2HB   ALA  25          HB2       ALA  25  10.448   4.464  -1.457
  207   3HB   ALA  25          HB3       ALA  25  11.872   5.457  -1.151
  208    H    LYS  26           HN       LYS  26  12.754   2.824   1.318
  209    HA   LYS  26           HA       LYS  26  15.448   4.059   1.340
  210   1HB   LYS  26          HB2       LYS  26  13.419   3.062   3.307
  211   2HB   LYS  26          HB1       LYS  26  15.097   3.172   3.832
  212   1HG   LYS  26          HG2       LYS  26  14.281   5.298   4.370
  213   2HG   LYS  26          HG1       LYS  26  15.002   5.570   2.783
  214   1HD   LYS  26          HD2       LYS  26  12.749   5.186   1.752
  215   2HD   LYS  26          HD1       LYS  26  12.068   5.077   3.374
  216   1HE   LYS  26          HE2       LYS  26  11.722   7.342   2.942
  217   2HE   LYS  26          HE1       LYS  26  13.342   7.421   3.663
  218   1HZ   LYS  26          HZ1       LYS  26  13.349   8.564   1.551
  219   2HZ   LYS  26          HZ2       LYS  26  12.712   7.202   0.762
  220   3HZ   LYS  26          HZ3       LYS  26  14.280   7.153   1.418
  221    H    LEU  27           HN       LEU  27  14.150   0.964   0.717
  222    HA   LEU  27           HA       LEU  27  15.115  -1.172   0.552
  223   1HB   LEU  27          HB2       LEU  27  17.083   0.857  -0.074
  224   2HB   LEU  27          HB1       LEU  27  17.878  -0.529   0.667
  225    HG   LEU  27           HG       LEU  27  17.790  -0.867  -1.740
  226   1HD1  LEU  27          HD11      LEU  27  15.578  -2.629  -0.723
  227   2HD1  LEU  27          HD12      LEU  27  17.187  -2.753  -0.012
  228   3HD1  LEU  27          HD13      LEU  27  16.959  -3.048  -1.737
  229   1HD2  LEU  27          HD21      LEU  27  15.715  -0.859  -2.983
  230   2HD2  LEU  27          HD22      LEU  27  15.804   0.653  -2.081
  231   3HD2  LEU  27          HD23      LEU  27  14.775  -0.657  -1.505
  232    H    MET  28           HN       MET  28  14.397  -0.380   3.185
  233    HA   MET  28           HA       MET  28  14.730  -1.011   5.430
  234   1HB   MET  28          HB2       MET  28  15.448  -3.096   3.754
  235   2HB   MET  28          HB1       MET  28  16.861  -2.940   4.797
  236   1HG   MET  28          HG2       MET  28  15.572  -4.330   6.117
  237   2HG   MET  28          HG1       MET  28  14.990  -2.768   6.691
  238   1HE   MET  28          HE1       MET  28  13.611  -5.819   6.618
  239   2HE   MET  28          HE2       MET  28  14.325  -6.031   5.021
  240   3HE   MET  28          HE3       MET  28  12.574  -6.101   5.212
  241    HA   PRO  29           HA       PRO  29  18.518   1.571   5.744
  242   1HB   PRO  29          HB2       PRO  29  17.505   3.256   7.649
  243   2HB   PRO  29          HB1       PRO  29  17.240   3.489   5.909
  244   1HG   PRO  29          HG2       PRO  29  15.417   2.353   7.965
  245   2HG   PRO  29          HG1       PRO  29  15.051   3.386   6.574
  246   1HD   PRO  29          HD2       PRO  29  14.621   0.684   6.625
  247   2HD   PRO  29          HD1       PRO  29  14.898   1.617   5.139
  248    H    GLN  30           HN       GLN  30  19.555   2.313   8.043
  249    HA   GLN  30           HA       GLN  30  20.282  -0.028   9.471
  250   1HB   GLN  30          HB2       GLN  30  21.304   1.579  11.037
  251   2HB   GLN  30          HB1       GLN  30  21.546   2.105   9.373
  252   1HG   GLN  30          HG2       GLN  30  19.304   3.435   9.771
  253   2HG   GLN  30          HG1       GLN  30  19.724   3.245  11.473
  254   1HE2  GLN  30          HE21      GLN  30  20.226   5.247   8.780
  255   2HE2  GLN  30          HE22      GLN  30  21.617   6.051   9.328
  256    H    LEU  31           HN       LEU  31  19.426  -1.062  11.256
  257    HA   LEU  31           HA       LEU  31  17.104   0.210  12.664
  258   1HB   LEU  31          HB2       LEU  31  16.776  -1.649  10.769
  259   2HB   LEU  31          HB1       LEU  31  17.148  -2.733  12.110
  260    HG   LEU  31           HG       LEU  31  15.149  -0.548  12.560
  261   1HD1  LEU  31          HD11      LEU  31  14.463  -3.194  11.249
  262   2HD1  LEU  31          HD12      LEU  31  14.553  -1.661  10.382
  263   3HD1  LEU  31          HD13      LEU  31  13.348  -1.887  11.650
  264   1HD2  LEU  31          HD21      LEU  31  15.498  -3.407  13.516
  265   2HD2  LEU  31          HD22      LEU  31  14.159  -2.362  13.990
  266   3HD2  LEU  31          HD23      LEU  31  15.811  -1.939  14.443
  Start of MODEL    7
    1   1H    SER   1           HT1      SER   1 -16.088   6.446  -1.296
    2   2H    SER   1           HT2      SER   1 -14.670   6.766  -2.173
    3   3H    SER   1           HT3      SER   1 -15.083   5.165  -1.773
    4    HA   SER   1           HA       SER   1 -16.566   6.949  -3.646
    5   1HB   SER   1          HB2       SER   1 -14.298   5.967  -4.281
    6   2HB   SER   1          HB1       SER   1 -15.034   4.374  -4.123
    7    HG   SER   1           HG       SER   1 -16.240   4.747  -5.861
    8    H    GLY   2           HN       GLY   2 -16.234   3.496  -2.665
    9   1HA   GLY   2          HA2       GLY   2 -19.114   3.094  -3.223
   10   2HA   GLY   2          HA1       GLY   2 -17.943   1.822  -2.872
   11    H    SER   3           HN       SER   3 -18.243   0.898  -0.902
   12    HA   SER   3           HA       SER   3 -18.580   2.489   1.520
   13   1HB   SER   3          HB2       SER   3 -20.839   2.643   0.577
   14   2HB   SER   3          HB1       SER   3 -20.905   0.892   0.388
   15    HG   SER   3           HG       SER   3 -20.722   2.382   2.803
   16    H    TRP   4           HN       TRP   4 -19.280  -0.762   0.162
   17    HA   TRP   4           HA       TRP   4 -18.520  -2.132   2.628
   18   1HB   TRP   4          HB2       TRP   4 -20.131  -2.671   0.527
   19   2HB   TRP   4          HB1       TRP   4 -18.688  -3.523  -0.011
   20    HD1  TRP   4           HD1      TRP   4 -21.285  -5.102   0.780
   21    HE1  TRP   4           HE1      TRP   4 -21.236  -6.779   2.735
   22    HE3  TRP   4           HE3      TRP   4 -17.210  -3.373   3.349
   23    HZ2  TRP   4           HZ2      TRP   4 -19.687  -7.320   5.070
   24    HZ3  TRP   4           HZ3      TRP   4 -16.476  -4.492   5.429
   25    HH2  TRP   4           HH2      TRP   4 -17.707  -6.462   6.294
   26    H    LEU   5           HN       LEU   5 -17.109  -4.198   0.680
   27    HA   LEU   5           HA       LEU   5 -14.437  -3.775   1.432
   28   1HB   LEU   5          HB2       LEU   5 -15.958  -5.347  -0.546
   29   2HB   LEU   5          HB1       LEU   5 -14.274  -5.076  -0.994
   30    HG   LEU   5           HG       LEU   5 -13.550  -5.935   1.210
   31   1HD1  LEU   5          HD11      LEU   5 -16.523  -6.401   1.600
   32   2HD1  LEU   5          HD12      LEU   5 -15.489  -5.336   2.553
   33   3HD1  LEU   5          HD13      LEU   5 -15.267  -7.084   2.632
   34   1HD2  LEU   5          HD21      LEU   5 -13.923  -8.240   0.732
   35   2HD2  LEU   5          HD22      LEU   5 -13.987  -7.431  -0.834
   36   3HD2  LEU   5          HD23      LEU   5 -15.480  -7.908  -0.026
   37    H    ARG   6           HN       ARG   6 -16.235  -2.337  -1.245
   38    HA   ARG   6           HA       ARG   6 -14.080  -1.382  -2.850
   39   1HB   ARG   6          HB2       ARG   6 -16.929  -0.586  -2.304
   40   2HB   ARG   6          HB1       ARG   6 -15.927   0.440  -3.332
   41   1HG   ARG   6          HG2       ARG   6 -15.369  -1.605  -4.698
   42   2HG   ARG   6          HG1       ARG   6 -16.566  -2.493  -3.753
   43   1HD   ARG   6          HD2       ARG   6 -18.230  -1.678  -5.055
   44   2HD   ARG   6          HD1       ARG   6 -17.731  -0.015  -4.692
   45    HE   ARG   6           HE       ARG   6 -16.181  -1.570  -6.712
   46   1HH1  ARG   6          HH11      ARG   6 -16.289   1.497  -5.835
   47   2HH1  ARG   6          HH12      ARG   6 -16.925   2.166  -7.300
   48   1HH2  ARG   6          HH21      ARG   6 -17.859  -0.914  -8.615
   49   2HH2  ARG   6          HH22      ARG   6 -17.817   0.798  -8.879
   50    H    ASP   7           HN       ASP   7 -15.336  -0.219   0.233
   51    HA   ASP   7           HA       ASP   7 -13.615   2.223   0.026
   52   1HB   ASP   7          HB2       ASP   7 -16.258   1.649   0.985
   53   2HB   ASP   7          HB1       ASP   7 -15.280   2.207   2.345
   54    H    ILE   8           HN       ILE   8 -14.162  -0.739   1.910
   55    HA   ILE   8           HA       ILE   8 -12.572  -0.090   4.192
   56    HB   ILE   8           HB       ILE   8 -14.176  -2.090   3.643
   57   1HG1  ILE   8          HG12      ILE   8 -11.596  -2.580   5.159
   58   2HG1  ILE   8          HG11      ILE   8 -12.963  -1.664   5.785
   59   1HG2  ILE   8          HG21      ILE   8 -13.079  -4.131   2.934
   60   2HG2  ILE   8          HG22      ILE   8 -11.510  -3.326   2.890
   61   3HG2  ILE   8          HG23      ILE   8 -12.755  -2.893   1.720
   62   1HD1  ILE   8          HD11      ILE   8 -13.558  -3.715   6.626
   63   2HD1  ILE   8          HD12      ILE   8 -12.687  -4.596   5.372
   64   3HD1  ILE   8          HD13      ILE   8 -14.267  -3.896   5.022
   65    H    TRP   9           HN       TRP   9 -11.655  -1.368   0.995
   66    HA   TRP   9           HA       TRP   9  -8.911  -1.955   1.649
   67   1HB   TRP   9          HB2       TRP   9 -10.383  -1.271  -0.914
   68   2HB   TRP   9          HB1       TRP   9  -8.687  -1.746  -0.891
   69    HD1  TRP   9           HD1      TRP   9  -9.025  -3.959   1.456
   70    HE1  TRP   9           HE1      TRP   9 -10.114  -6.214   0.852
   71    HE3  TRP   9           HE3      TRP   9 -11.510  -2.629  -2.803
   72    HZ2  TRP   9           HZ2      TRP   9 -11.813  -7.313  -1.172
   73    HZ3  TRP   9           HZ3      TRP   9 -12.853  -4.297  -4.049
   74    HH2  TRP   9           HH2      TRP   9 -13.008  -6.636  -3.239
   75    H    ASP  10           HN       ASP  10 -10.593   0.958   0.505
   76    HA   ASP  10           HA       ASP  10  -8.342   2.614  -0.054
   77   1HB   ASP  10          HB2       ASP  10 -10.938   2.886  -0.380
   78   2HB   ASP  10          HB1       ASP  10 -10.884   3.608   1.230
   79    H    TRP  11           HN       TRP  11  -9.994   1.820   2.991
   80    HA   TRP  11           HA       TRP  11  -8.692   3.732   4.685
   81   1HB   TRP  11          HB2       TRP  11 -10.421   2.781   5.838
   82   2HB   TRP  11          HB1       TRP  11 -10.375   1.322   4.861
   83    HD1  TRP  11           HD1      TRP  11  -7.597   2.661   7.184
   84    HE1  TRP  11           HE1      TRP  11  -7.064   0.857   8.939
   85    HE3  TRP  11           HE3      TRP  11 -11.142  -0.793   5.981
   86    HZ2  TRP  11           HZ2      TRP  11  -8.022  -1.717   9.734
   87    HZ3  TRP  11           HZ3      TRP  11 -11.313  -2.914   7.252
   88    HH2  TRP  11           HH2      TRP  11  -9.759  -3.379   9.124
   89    H    ILE  12           HN       ILE  12  -7.899   0.304   3.961
   90    HA   ILE  12           HA       ILE  12  -5.418   0.332   5.480
   91    HB   ILE  12           HB       ILE  12  -6.367  -1.471   3.229
   92   1HG1  ILE  12          HG12      ILE  12  -6.632  -2.498   5.950
   93   2HG1  ILE  12          HG11      ILE  12  -7.594  -1.040   5.702
   94   1HG2  ILE  12          HG21      ILE  12  -4.198  -2.173   3.527
   95   2HG2  ILE  12          HG22      ILE  12  -4.945  -3.079   4.842
   96   3HG2  ILE  12          HG23      ILE  12  -4.114  -1.560   5.179
   97   1HD1  ILE  12          HD11      ILE  12  -9.033  -2.768   5.000
   98   2HD1  ILE  12          HD12      ILE  12  -7.727  -3.653   4.211
   99   3HD1  ILE  12          HD13      ILE  12  -8.346  -2.166   3.492
  100    H    CYS  13           HN       CYS  13  -6.276   0.844   2.060
  101    HA   CYS  13           HA       CYS  13  -3.691   0.827   0.904
  102   1HB   CYS  13          HB2       CYS  13  -5.963   0.929  -0.208
  103   2HB   CYS  13          HB1       CYS  13  -6.018   2.643   0.204
  104    HG   CYS  13           HG       CYS  13  -4.578   1.538  -2.158
  105    H    GLU  14           HN       GLU  14  -5.480   3.522   2.439
  106    HA   GLU  14           HA       GLU  14  -3.637   5.630   1.935
  107   1HB   GLU  14          HB2       GLU  14  -5.948   5.829   2.836
  108   2HB   GLU  14          HB1       GLU  14  -5.408   5.103   4.350
  109   1HG   GLU  14          HG2       GLU  14  -5.268   7.379   4.853
  110   2HG   GLU  14          HG1       GLU  14  -3.624   7.040   4.314
  111    H    VAL  15           HN       VAL  15  -3.747   3.237   4.579
  112    HA   VAL  15           HA       VAL  15  -1.353   4.338   5.892
  113    HB   VAL  15           HB       VAL  15  -2.918   1.767   6.328
  114   1HG1  VAL  15          HG11      VAL  15  -1.991   2.019   8.662
  115   2HG1  VAL  15          HG12      VAL  15  -0.959   3.312   8.050
  116   3HG1  VAL  15          HG13      VAL  15  -0.772   1.670   7.436
  117   1HG2  VAL  15          HG21      VAL  15  -4.582   3.111   7.051
  118   2HG2  VAL  15          HG22      VAL  15  -3.590   4.551   6.817
  119   3HG2  VAL  15          HG23      VAL  15  -3.503   3.657   8.334
  120    H    LEU  16           HN       LEU  16  -2.092   1.871   3.508
  121    HA   LEU  16           HA       LEU  16   0.288   0.263   3.822
  122   1HB   LEU  16          HB2       LEU  16  -2.084   0.083   2.491
  123   2HB   LEU  16          HB1       LEU  16  -1.004   0.501   1.163
  124    HG   LEU  16           HG       LEU  16   0.536  -1.361   2.175
  125   1HD1  LEU  16          HD11      LEU  16  -0.979  -3.199   3.144
  126   2HD1  LEU  16          HD12      LEU  16  -2.165  -1.922   3.412
  127   3HD1  LEU  16          HD13      LEU  16  -0.595  -1.848   4.211
  128   1HD2  LEU  16          HD21      LEU  16  -0.645  -3.054   0.799
  129   2HD2  LEU  16          HD22      LEU  16  -0.570  -1.496  -0.024
  130   3HD2  LEU  16          HD23      LEU  16  -2.067  -2.011   0.752
  131    H    SER  17           HN       SER  17  -0.317   3.337   2.228
  132    HA   SER  17           HA       SER  17   1.753   3.291   0.265
  133   1HB   SER  17          HB2       SER  17  -0.187   5.053   1.229
  134   2HB   SER  17          HB1       SER  17   1.332   5.878   1.568
  135    HG   SER  17           HG       SER  17   0.219   6.016  -0.644
  136    H    ASP  18           HN       ASP  18   1.891   4.814   3.533
  137    HA   ASP  18           HA       ASP  18   4.713   5.314   3.463
  138   1HB   ASP  18          HB2       ASP  18   2.596   5.040   5.594
  139   2HB   ASP  18          HB1       ASP  18   4.283   5.291   6.049
  140    H    PHE  19           HN       PHE  19   2.826   2.461   4.372
  141    HA   PHE  19           HA       PHE  19   5.002   1.003   5.621
  142   1HB   PHE  19          HB2       PHE  19   2.386   0.716   5.671
  143   2HB   PHE  19          HB1       PHE  19   2.644  -0.243   4.212
  144    HD1  PHE  19           HD1      PHE  19   4.215  -2.223   4.292
  145    HD2  PHE  19           HD2      PHE  19   2.920  -0.150   7.826
  146    HE1  PHE  19           HE1      PHE  19   4.914  -4.155   5.683
  147    HE2  PHE  19           HE2      PHE  19   3.618  -2.083   9.215
  148    HZ   PHE  19           HZ       PHE  19   4.615  -4.084   8.143
  149    H    LYS  20           HN       LYS  20   3.715   1.256   2.305
  150    HA   LYS  20           HA       LYS  20   5.527  -0.807   1.253
  151   1HB   LYS  20          HB2       LYS  20   3.158  -0.170   0.473
  152   2HB   LYS  20          HB1       LYS  20   3.902   1.247  -0.267
  153   1HG   LYS  20          HG2       LYS  20   5.442  -1.090  -0.947
  154   2HG   LYS  20          HG1       LYS  20   3.746  -1.379  -1.334
  155   1HD   LYS  20          HD2       LYS  20   4.930   1.263  -2.090
  156   2HD   LYS  20          HD1       LYS  20   5.357  -0.146  -3.060
  157   1HE   LYS  20          HE2       LYS  20   2.463   0.388  -2.394
  158   2HE   LYS  20          HE1       LYS  20   3.239   1.228  -3.750
  159   1HZ   LYS  20          HZ1       LYS  20   2.264  -0.917  -4.420
  160   2HZ   LYS  20          HZ2       LYS  20   3.288  -1.717  -3.328
  161   3HZ   LYS  20          HZ3       LYS  20   3.943  -0.879  -4.654
  162    H    THR  21           HN       THR  21   5.410   2.754   1.396
  163    HA   THR  21           HA       THR  21   7.499   3.303  -0.476
  164    HB   THR  21           HB       THR  21   5.748   4.784   0.885
  165    HG1  THR  21           HG1      THR  21   6.873   6.518   0.154
  166   1HG2  THR  21          HG21      THR  21   6.985   4.282   3.060
  167   2HG2  THR  21          HG22      THR  21   6.673   5.983   2.729
  168   3HG2  THR  21          HG23      THR  21   8.279   5.311   2.451
  169    H    TRP  22           HN       TRP  22   7.606   2.406   2.960
  170    HA   TRP  22           HA       TRP  22  10.464   2.875   3.278
  171   1HB   TRP  22          HB2       TRP  22   9.054   2.933   5.213
  172   2HB   TRP  22          HB1       TRP  22   8.292   1.399   4.795
  173    HD1  TRP  22           HD1      TRP  22  11.550   2.850   6.188
  174    HE1  TRP  22           HE1      TRP  22  12.845   0.966   7.381
  175    HE3  TRP  22           HE3      TRP  22   8.637  -1.152   4.942
  176    HZ2  TRP  22           HZ2      TRP  22  12.668  -1.867   7.756
  177    HZ3  TRP  22           HZ3      TRP  22   9.221  -3.427   5.729
  178    HH2  TRP  22           HH2      TRP  22  11.228  -3.790   7.129
  179    H    LEU  23           HN       LEU  23   8.414   0.007   2.675
  180    HA   LEU  23           HA       LEU  23  10.577  -1.905   2.604
  181   1HB   LEU  23          HB2       LEU  23   7.709  -1.792   2.280
  182   2HB   LEU  23          HB1       LEU  23   8.409  -2.783   0.999
  183    HG   LEU  23           HG       LEU  23   9.418  -3.178   3.783
  184   1HD1  LEU  23          HD11      LEU  23   6.923  -3.099   3.966
  185   2HD1  LEU  23          HD12      LEU  23   7.596  -4.687   4.331
  186   3HD1  LEU  23          HD13      LEU  23   6.833  -4.391   2.769
  187   1HD2  LEU  23          HD21      LEU  23  10.328  -4.358   1.750
  188   2HD2  LEU  23          HD22      LEU  23   8.752  -5.129   1.563
  189   3HD2  LEU  23          HD23      LEU  23   9.723  -5.447   3.001
  190    H    LYS  24           HN       LYS  24   8.982   0.087   0.114
  191    HA   LYS  24           HA       LYS  24  10.163  -1.124  -2.200
  192   1HB   LYS  24          HB2       LYS  24   8.255   0.599  -1.946
  193   2HB   LYS  24          HB1       LYS  24   9.529   1.814  -1.842
  194   1HG   LYS  24          HG2       LYS  24  10.330   0.390  -4.041
  195   2HG   LYS  24          HG1       LYS  24   8.575   0.284  -4.180
  196   1HD   LYS  24          HD2       LYS  24   9.441   2.969  -3.436
  197   2HD   LYS  24          HD1       LYS  24  10.158   2.447  -4.961
  198   1HE   LYS  24          HE2       LYS  24   7.224   1.958  -4.521
  199   2HE   LYS  24          HE1       LYS  24   7.767   3.589  -4.962
  200   1HZ   LYS  24          HZ1       LYS  24   8.448   1.078  -6.406
  201   2HZ   LYS  24          HZ2       LYS  24   9.021   2.627  -6.807
  202   3HZ   LYS  24          HZ3       LYS  24   7.367   2.268  -6.945
  203    H    ALA  25           HN       ALA  25  11.279   1.543  -0.095
  204    HA   ALA  25           HA       ALA  25  13.668   2.159  -1.593
  205   1HB   ALA  25          HB1       ALA  25  12.864   2.541   1.310
  206   2HB   ALA  25          HB2       ALA  25  12.640   3.697  -0.003
  207   3HB   ALA  25          HB3       ALA  25  14.265   3.309   0.562
  208    H    LYS  26           HN       LYS  26  12.904  -0.257   0.863
  209    HA   LYS  26           HA       LYS  26  15.726  -0.964   1.339
  210   1HB   LYS  26          HB2       LYS  26  13.042  -1.558   2.417
  211   2HB   LYS  26          HB1       LYS  26  14.149  -2.930   2.449
  212   1HG   LYS  26          HG2       LYS  26  14.460  -1.756   4.518
  213   2HG   LYS  26          HG1       LYS  26  15.861  -1.386   3.514
  214   1HD   LYS  26          HD2       LYS  26  13.982   0.571   2.825
  215   2HD   LYS  26          HD1       LYS  26  13.827   0.412   4.574
  216   1HE   LYS  26          HE2       LYS  26  15.623   1.837   4.629
  217   2HE   LYS  26          HE1       LYS  26  16.569   0.385   4.253
  218   1HZ   LYS  26          HZ1       LYS  26  16.314   0.812   1.914
  219   2HZ   LYS  26          HZ2       LYS  26  16.936   2.211   2.646
  220   3HZ   LYS  26          HZ3       LYS  26  15.296   2.136   2.212
  221    H    LEU  27           HN       LEU  27  12.968  -2.177  -0.533
  222    HA   LEU  27           HA       LEU  27  14.198  -4.706  -1.271
  223   1HB   LEU  27          HB2       LEU  27  11.715  -3.947  -1.219
  224   2HB   LEU  27          HB1       LEU  27  12.051  -3.223  -2.792
  225    HG   LEU  27           HG       LEU  27  13.087  -5.622  -3.291
  226   1HD1  LEU  27          HD11      LEU  27  10.857  -6.371  -1.402
  227   2HD1  LEU  27          HD12      LEU  27  12.524  -6.251  -0.838
  228   3HD1  LEU  27          HD13      LEU  27  12.102  -7.407  -2.101
  229   1HD2  LEU  27          HD21      LEU  27  11.194  -4.542  -4.488
  230   2HD2  LEU  27          HD22      LEU  27  10.096  -5.099  -3.224
  231   3HD2  LEU  27          HD23      LEU  27  10.921  -6.269  -4.254
  232    H    MET  28           HN       MET  28  14.500  -1.429  -2.454
  233    HA   MET  28           HA       MET  28  15.221  -1.944  -5.175
  234   1HB   MET  28          HB2       MET  28  15.521   0.230  -3.160
  235   2HB   MET  28          HB1       MET  28  16.579   0.314  -4.568
  236   1HG   MET  28          HG2       MET  28  14.763   0.426  -6.075
  237   2HG   MET  28          HG1       MET  28  13.617  -0.168  -4.872
  238   1HE   MET  28          HE1       MET  28  15.833   2.420  -6.194
  239   2HE   MET  28          HE2       MET  28  15.228   3.976  -5.631
  240   3HE   MET  28          HE3       MET  28  14.273   3.028  -6.768
  241    HA   PRO  29           HA       PRO  29  19.795  -2.103  -3.825
  242   1HB   PRO  29          HB2       PRO  29  20.426  -1.974  -1.167
  243   2HB   PRO  29          HB1       PRO  29  20.258  -0.533  -2.189
  244   1HG   PRO  29          HG2       PRO  29  18.351  -1.695  -0.230
  245   2HG   PRO  29          HG1       PRO  29  18.695  -0.001  -0.602
  246   1HD   PRO  29          HD2       PRO  29  16.500  -1.360  -1.517
  247   2HD   PRO  29          HD1       PRO  29  17.209   0.053  -2.326
  248    H    GLN  30           HN       GLN  30  20.962  -4.047  -3.489
  249    HA   GLN  30           HA       GLN  30  21.221  -6.361  -3.145
  250   1HB   GLN  30          HB2       GLN  30  21.502  -5.360  -0.881
  251   2HB   GLN  30          HB1       GLN  30  19.778  -5.575  -0.594
  252   1HG   GLN  30          HG2       GLN  30  20.639  -7.510   0.385
  253   2HG   GLN  30          HG1       GLN  30  20.285  -8.084  -1.245
  254   1HE2  GLN  30          HE21      GLN  30  22.851  -7.464   1.045
  255   2HE2  GLN  30          HE22      GLN  30  24.132  -7.939   0.038
  256    H    LEU  31           HN       LEU  31  19.545  -6.645  -4.926
  257    HA   LEU  31           HA       LEU  31  17.006  -7.838  -3.856
  258   1HB   LEU  31          HB2       LEU  31  15.993  -7.117  -5.960
  259   2HB   LEU  31          HB1       LEU  31  16.805  -5.745  -5.211
  260    HG   LEU  31           HG       LEU  31  18.684  -7.149  -6.884
  261   1HD1  LEU  31          HD11      LEU  31  17.617  -6.845  -9.060
  262   2HD1  LEU  31          HD12      LEU  31  16.154  -6.237  -8.287
  263   3HD1  LEU  31          HD13      LEU  31  16.631  -7.920  -8.069
  264   1HD2  LEU  31          HD21      LEU  31  18.944  -4.951  -7.874
  265   2HD2  LEU  31          HD22      LEU  31  18.700  -4.740  -6.140
  266   3HD2  LEU  31          HD23      LEU  31  17.372  -4.440  -7.261
  Start of MODEL    8
    1   1H    SER   1           HT1      SER   1 -17.851  -9.232   1.053
    2   2H    SER   1           HT2      SER   1 -18.945 -10.517   1.238
    3   3H    SER   1           HT3      SER   1 -17.401 -10.799   0.587
    4    HA   SER   1           HA       SER   1 -17.433 -11.559   2.867
    5   1HB   SER   1          HB2       SER   1 -15.936  -8.962   2.373
    6   2HB   SER   1          HB1       SER   1 -15.514 -10.153   3.601
    7    HG   SER   1           HG       SER   1 -14.638 -11.341   2.104
    8    H    GLY   2           HN       GLY   2 -17.751  -7.967   2.900
    9   1HA   GLY   2          HA2       GLY   2 -19.444  -8.265   5.353
   10   2HA   GLY   2          HA1       GLY   2 -18.358  -6.902   5.085
   11    H    SER   3           HN       SER   3 -20.206  -5.467   5.324
   12    HA   SER   3           HA       SER   3 -22.410  -5.622   3.377
   13   1HB   SER   3          HB2       SER   3 -22.744  -4.895   5.703
   14   2HB   SER   3          HB1       SER   3 -21.597  -3.578   5.473
   15    HG   SER   3           HG       SER   3 -24.176  -3.938   4.392
   16    H    TRP   4           HN       TRP   4 -19.514  -3.608   3.916
   17    HA   TRP   4           HA       TRP   4 -19.749  -2.631   1.108
   18   1HB   TRP   4          HB2       TRP   4 -19.148  -0.317   2.057
   19   2HB   TRP   4          HB1       TRP   4 -20.789  -0.878   2.355
   20    HD1  TRP   4           HD1      TRP   4 -21.420  -1.617   4.831
   21    HE1  TRP   4           HE1      TRP   4 -20.326  -1.114   7.109
   22    HE3  TRP   4           HE3      TRP   4 -16.872   0.101   3.267
   23    HZ2  TRP   4           HZ2      TRP   4 -17.850  -0.110   8.135
   24    HZ3  TRP   4           HZ3      TRP   4 -15.168   0.827   4.912
   25    HH2  TRP   4           HH2      TRP   4 -15.650   0.724   7.343
   26    H    LEU   5           HN       LEU   5 -17.759  -2.577   0.100
   27    HA   LEU   5           HA       LEU   5 -15.316  -2.755   1.828
   28   1HB   LEU   5          HB2       LEU   5 -14.480  -4.411   0.111
   29   2HB   LEU   5          HB1       LEU   5 -15.862  -4.975   1.046
   30    HG   LEU   5           HG       LEU   5 -16.569  -3.506  -1.421
   31   1HD1  LEU   5          HD11      LEU   5 -14.658  -4.658  -2.329
   32   2HD1  LEU   5          HD12      LEU   5 -16.093  -5.553  -2.830
   33   3HD1  LEU   5          HD13      LEU   5 -15.097  -6.153  -1.503
   34   1HD2  LEU   5          HD21      LEU   5 -18.463  -4.681  -1.062
   35   2HD2  LEU   5          HD22      LEU   5 -17.716  -5.369   0.380
   36   3HD2  LEU   5          HD23      LEU   5 -17.581  -6.204  -1.167
   37    H    ARG   6           HN       ARG   6 -16.748  -0.675  -0.154
   38    HA   ARG   6           HA       ARG   6 -14.645  -0.204  -2.143
   39   1HB   ARG   6          HB2       ARG   6 -17.082   0.289  -2.457
   40   2HB   ARG   6          HB1       ARG   6 -16.962   1.528  -1.208
   41   1HG   ARG   6          HG2       ARG   6 -15.665   2.935  -2.531
   42   2HG   ARG   6          HG1       ARG   6 -15.047   1.609  -3.515
   43   1HD   ARG   6          HD2       ARG   6 -16.597   2.767  -4.929
   44   2HD   ARG   6          HD1       ARG   6 -17.480   1.338  -4.359
   45    HE   ARG   6           HE       ARG   6 -18.901   2.796  -3.167
   46   1HH1  ARG   6          HH11      ARG   6 -17.548   4.976  -4.987
   47   2HH1  ARG   6          HH12      ARG   6 -17.244   6.195  -3.795
   48   1HH2  ARG   6          HH21      ARG   6 -17.792   4.069  -1.101
   49   2HH2  ARG   6          HH22      ARG   6 -17.378   5.678  -1.586
   50    H    ASP   7           HN       ASP   7 -15.735   1.347   0.891
   51    HA   ASP   7           HA       ASP   7 -13.516   3.283   0.840
   52   1HB   ASP   7          HB2       ASP   7 -16.051   3.329   1.778
   53   2HB   ASP   7          HB1       ASP   7 -15.213   2.837   3.251
   54    H    ILE   8           HN       ILE   8 -14.355   0.270   2.565
   55    HA   ILE   8           HA       ILE   8 -12.307   0.420   4.571
   56    HB   ILE   8           HB       ILE   8 -14.408  -1.106   4.298
   57   1HG1  ILE   8          HG12      ILE   8 -11.952  -2.587   5.211
   58   2HG1  ILE   8          HG11      ILE   8 -12.479  -1.139   6.067
   59   1HG2  ILE   8          HG21      ILE   8 -14.075  -3.233   3.264
   60   2HG2  ILE   8          HG22      ILE   8 -12.350  -2.938   3.049
   61   3HG2  ILE   8          HG23      ILE   8 -13.525  -2.039   2.089
   62   1HD1  ILE   8          HD11      ILE   8 -14.299  -3.489   5.488
   63   2HD1  ILE   8          HD12      ILE   8 -14.637  -2.110   6.535
   64   3HD1  ILE   8          HD13      ILE   8 -13.413  -3.292   7.000
   65    H    TRP   9           HN       TRP   9 -12.206  -0.595   1.184
   66    HA   TRP   9           HA       TRP   9  -9.689  -2.011   1.309
   67   1HB   TRP   9          HB2       TRP   9 -11.395  -0.720  -0.812
   68   2HB   TRP   9          HB1       TRP   9  -9.791  -1.314  -1.233
   69    HD1  TRP   9           HD1      TRP   9 -11.407  -3.325   1.460
   70    HE1  TRP   9           HE1      TRP   9 -12.259  -5.563   0.508
   71    HE3  TRP   9           HE3      TRP   9 -10.928  -2.396  -3.539
   72    HZ2  TRP   9           HZ2      TRP   9 -12.678  -6.798  -2.037
   73    HZ3  TRP   9           HZ3      TRP   9 -11.559  -4.119  -5.203
   74    HH2  TRP   9           HH2      TRP   9 -12.433  -6.317  -4.459
   75    H    ASP  10           HN       ASP  10 -10.532   1.377   0.461
   76    HA   ASP  10           HA       ASP  10  -7.832   2.234  -0.058
   77   1HB   ASP  10          HB2       ASP  10  -9.811   3.459  -0.817
   78   2HB   ASP  10          HB1       ASP  10 -10.318   3.723   0.853
   79    H    TRP  11           HN       TRP  11  -9.843   2.232   2.899
   80    HA   TRP  11           HA       TRP  11  -8.123   3.688   4.617
   81   1HB   TRP  11          HB2       TRP  11  -9.982   3.240   5.831
   82   2HB   TRP  11          HB1       TRP  11 -10.432   1.938   4.739
   83    HD1  TRP  11           HD1      TRP  11 -10.587  -0.320   5.850
   84    HE1  TRP  11           HE1      TRP  11  -9.549  -1.456   7.916
   85    HE3  TRP  11           HE3      TRP  11  -7.478   3.407   7.443
   86    HZ2  TRP  11           HZ2      TRP  11  -7.655  -0.866   9.972
   87    HZ3  TRP  11           HZ3      TRP  11  -6.070   3.089   9.454
   88    HH2  TRP  11           HH2      TRP  11  -6.155   0.961  10.722
   89    H    ILE  12           HN       ILE  12  -7.982   0.276   3.602
   90    HA   ILE  12           HA       ILE  12  -5.647  -0.246   5.349
   91    HB   ILE  12           HB       ILE  12  -7.404  -1.829   3.465
   92   1HG1  ILE  12          HG12      ILE  12  -8.269  -1.518   5.701
   93   2HG1  ILE  12          HG11      ILE  12  -7.701  -3.181   5.578
   94   1HG2  ILE  12          HG21      ILE  12  -5.336  -2.837   2.964
   95   2HG2  ILE  12          HG22      ILE  12  -5.941  -3.819   4.298
   96   3HG2  ILE  12          HG23      ILE  12  -4.712  -2.589   4.595
   97   1HD1  ILE  12          HD11      ILE  12  -5.468  -2.289   6.528
   98   2HD1  ILE  12          HD12      ILE  12  -6.826  -2.422   7.646
   99   3HD1  ILE  12          HD13      ILE  12  -6.384  -0.851   6.978
  100    H    CYS  13           HN       CYS  13  -6.397   0.104   1.877
  101    HA   CYS  13           HA       CYS  13  -3.788  -0.561   0.884
  102   1HB   CYS  13          HB2       CYS  13  -5.994  -0.418  -0.357
  103   2HB   CYS  13          HB1       CYS  13  -5.834   1.339  -0.301
  104    HG   CYS  13           HG       CYS  13  -4.179  -0.557  -2.075
  105    H    GLU  14           HN       GLU  14  -5.263   2.591   1.752
  106    HA   GLU  14           HA       GLU  14  -3.100   4.269   0.946
  107   1HB   GLU  14          HB2       GLU  14  -5.493   4.840   1.669
  108   2HB   GLU  14          HB1       GLU  14  -4.925   4.682   3.331
  109   1HG   GLU  14          HG2       GLU  14  -3.451   6.453   1.391
  110   2HG   GLU  14          HG1       GLU  14  -4.897   7.044   2.209
  111    H    VAL  15           HN       VAL  15  -3.827   2.951   4.212
  112    HA   VAL  15           HA       VAL  15  -1.455   3.906   5.492
  113    HB   VAL  15           HB       VAL  15  -3.285   1.535   5.995
  114   1HG1  VAL  15          HG11      VAL  15  -2.310   1.899   8.404
  115   2HG1  VAL  15          HG12      VAL  15  -0.948   2.621   7.549
  116   3HG1  VAL  15          HG13      VAL  15  -1.393   0.941   7.242
  117   1HG2  VAL  15          HG21      VAL  15  -4.543   2.971   7.314
  118   2HG2  VAL  15          HG22      VAL  15  -3.967   4.112   6.100
  119   3HG2  VAL  15          HG23      VAL  15  -3.168   4.016   7.670
  120    H    LEU  16           HN       LEU  16  -2.091   0.940   3.625
  121    HA   LEU  16           HA       LEU  16   0.498  -0.273   4.240
  122   1HB   LEU  16          HB2       LEU  16  -1.803  -1.304   3.497
  123   2HB   LEU  16          HB1       LEU  16  -1.234  -0.939   1.868
  124    HG   LEU  16           HG       LEU  16   0.960  -2.135   2.631
  125   1HD1  LEU  16          HD11      LEU  16   0.479  -3.941   4.303
  126   2HD1  LEU  16          HD12      LEU  16  -1.074  -3.172   4.630
  127   3HD1  LEU  16          HD13      LEU  16   0.427  -2.321   4.999
  128   1HD2  LEU  16          HD21      LEU  16  -0.483  -3.050   0.906
  129   2HD2  LEU  16          HD22      LEU  16  -1.650  -3.593   2.112
  130   3HD2  LEU  16          HD23      LEU  16  -0.063  -4.353   2.017
  131    H    SER  17           HN       SER  17  -0.709   2.020   1.875
  132    HA   SER  17           HA       SER  17   1.297   1.646  -0.163
  133   1HB   SER  17          HB2       SER  17  -1.012   3.039   0.070
  134   2HB   SER  17          HB1       SER  17   0.133   4.342   0.371
  135    HG   SER  17           HG       SER  17  -0.192   4.213  -1.825
  136    H    ASP  18           HN       ASP  18   1.059   4.032   2.530
  137    HA   ASP  18           HA       ASP  18   3.592   5.283   2.098
  138   1HB   ASP  18          HB2       ASP  18   1.913   6.220   3.587
  139   2HB   ASP  18          HB1       ASP  18   1.942   4.775   4.599
  140    H    PHE  19           HN       PHE  19   2.665   2.410   3.996
  141    HA   PHE  19           HA       PHE  19   5.202   1.836   5.173
  142   1HB   PHE  19          HB2       PHE  19   2.719   0.834   5.355
  143   2HB   PHE  19          HB1       PHE  19   3.385  -0.353   4.232
  144    HD1  PHE  19           HD1      PHE  19   4.397  -2.234   5.153
  145    HD2  PHE  19           HD2      PHE  19   4.399   1.442   7.377
  146    HE1  PHE  19           HE1      PHE  19   5.540  -3.373   7.035
  147    HE2  PHE  19           HE2      PHE  19   5.544   0.302   9.259
  148    HZ   PHE  19           HZ       PHE  19   6.114  -2.105   9.088
  149    H    LYS  20           HN       LYS  20   3.809   0.999   1.996
  150    HA   LYS  20           HA       LYS  20   5.915  -0.749   1.106
  151   1HB   LYS  20          HB2       LYS  20   3.537  -0.305   0.181
  152   2HB   LYS  20          HB1       LYS  20   4.251   1.094  -0.624
  153   1HG   LYS  20          HG2       LYS  20   4.707  -0.379  -2.295
  154   2HG   LYS  20          HG1       LYS  20   6.056  -0.862  -1.266
  155   1HD   LYS  20          HD2       LYS  20   3.988  -2.319  -0.193
  156   2HD   LYS  20          HD1       LYS  20   3.572  -2.311  -1.908
  157   1HE   LYS  20          HE2       LYS  20   5.973  -3.023  -2.386
  158   2HE   LYS  20          HE1       LYS  20   6.148  -3.292  -0.639
  159   1HZ   LYS  20          HZ1       LYS  20   5.397  -5.323  -1.628
  160   2HZ   LYS  20          HZ2       LYS  20   4.136  -4.530  -2.446
  161   3HZ   LYS  20          HZ3       LYS  20   4.102  -4.666  -0.752
  162    H    THR  21           HN       THR  21   5.434   2.784   0.876
  163    HA   THR  21           HA       THR  21   7.643   3.432  -0.807
  164    HB   THR  21           HB       THR  21   6.496   4.985   1.542
  165    HG1  THR  21           HG1      THR  21   5.642   4.728  -1.151
  166   1HG2  THR  21          HG21      THR  21   8.641   5.745   0.246
  167   2HG2  THR  21          HG22      THR  21   7.358   6.915   0.551
  168   3HG2  THR  21          HG23      THR  21   7.501   6.158  -1.034
  169    H    TRP  22           HN       TRP  22   7.438   3.103   2.746
  170    HA   TRP  22           HA       TRP  22  10.227   3.715   3.254
  171   1HB   TRP  22          HB2       TRP  22   8.369   3.934   4.888
  172   2HB   TRP  22          HB1       TRP  22   8.134   2.188   4.849
  173    HD1  TRP  22           HD1      TRP  22  10.314   4.883   6.332
  174    HE1  TRP  22           HE1      TRP  22  11.990   3.819   7.981
  175    HE3  TRP  22           HE3      TRP  22   9.562  -0.054   5.291
  176    HZ2  TRP  22           HZ2      TRP  22  12.889   1.214   8.755
  177    HZ3  TRP  22           HZ3      TRP  22  10.834  -1.805   6.494
  178    HH2  TRP  22           HH2      TRP  22  12.494  -1.180   8.221
  179    H    LEU  23           HN       LEU  23   8.365   0.677   2.910
  180    HA   LEU  23           HA       LEU  23  10.494  -1.153   3.464
  181   1HB   LEU  23          HB2       LEU  23   7.770  -1.145   2.433
  182   2HB   LEU  23          HB1       LEU  23   8.759  -2.318   1.571
  183    HG   LEU  23           HG       LEU  23   7.828  -3.467   3.458
  184   1HD1  LEU  23          HD11      LEU  23  10.412  -3.565   2.973
  185   2HD1  LEU  23          HD12      LEU  23   9.767  -4.326   4.429
  186   3HD1  LEU  23          HD13      LEU  23  10.540  -2.745   4.530
  187   1HD2  LEU  23          HD21      LEU  23   8.032  -0.892   4.687
  188   2HD2  LEU  23          HD22      LEU  23   8.905  -2.047   5.691
  189   3HD2  LEU  23          HD23      LEU  23   7.211  -2.327   5.295
  190    H    LYS  24           HN       LYS  24   9.404   0.331   0.394
  191    HA   LYS  24           HA       LYS  24  11.143  -1.118  -1.362
  192   1HB   LYS  24          HB2       LYS  24   9.136   0.346  -1.903
  193   2HB   LYS  24          HB1       LYS  24  10.173   1.745  -1.627
  194   1HG   LYS  24          HG2       LYS  24  10.638   1.548  -3.847
  195   2HG   LYS  24          HG1       LYS  24  11.735   0.272  -3.320
  196   1HD   LYS  24          HD2       LYS  24  10.212  -1.439  -3.871
  197   2HD   LYS  24          HD1       LYS  24   8.838  -0.333  -3.897
  198   1HE   LYS  24          HE2       LYS  24  11.105   0.071  -5.843
  199   2HE   LYS  24          HE1       LYS  24   9.840  -1.124  -6.187
  200   1HZ   LYS  24          HZ1       LYS  24   9.305   1.692  -5.395
  201   2HZ   LYS  24          HZ2       LYS  24   8.161   0.537  -5.891
  202   3HZ   LYS  24          HZ3       LYS  24   9.297   1.143  -7.000
  203    H    ALA  25           HN       ALA  25  11.602   1.988   0.360
  204    HA   ALA  25           HA       ALA  25  14.246   2.501  -0.715
  205   1HB   ALA  25          HB1       ALA  25  12.799   3.477   1.772
  206   2HB   ALA  25          HB2       ALA  25  12.745   4.234   0.180
  207   3HB   ALA  25          HB3       ALA  25  14.252   4.214   1.097
  208    H    LYS  26           HN       LYS  26  13.035   0.928   2.249
  209    HA   LYS  26           HA       LYS  26  15.651   0.596   3.470
  210   1HB   LYS  26          HB2       LYS  26  13.288   0.621   4.513
  211   2HB   LYS  26          HB1       LYS  26  13.167  -1.053   3.973
  212   1HG   LYS  26          HG2       LYS  26  14.011  -1.289   6.148
  213   2HG   LYS  26          HG1       LYS  26  15.475  -1.347   5.167
  214   1HD   LYS  26          HD2       LYS  26  15.310   1.321   5.537
  215   2HD   LYS  26          HD1       LYS  26  14.515   0.782   7.014
  216   1HE   LYS  26          HE2       LYS  26  17.172  -0.378   6.133
  217   2HE   LYS  26          HE1       LYS  26  17.067   1.068   7.156
  218   1HZ   LYS  26          HZ1       LYS  26  17.148  -0.907   8.534
  219   2HZ   LYS  26          HZ2       LYS  26  15.815  -1.573   7.718
  220   3HZ   LYS  26          HZ3       LYS  26  15.622  -0.181   8.673
  221    H    LEU  27           HN       LEU  27  13.609  -1.412   1.357
  222    HA   LEU  27           HA       LEU  27  15.278  -3.796   1.595
  223   1HB   LEU  27          HB2       LEU  27  12.802  -3.634   1.024
  224   2HB   LEU  27          HB1       LEU  27  13.288  -3.047  -0.566
  225    HG   LEU  27           HG       LEU  27  14.833  -5.382   0.009
  226   1HD1  LEU  27          HD11      LEU  27  11.869  -5.948   0.164
  227   2HD1  LEU  27          HD12      LEU  27  12.854  -5.768   1.615
  228   3HD1  LEU  27          HD13      LEU  27  13.211  -7.054   0.462
  229   1HD2  LEU  27          HD21      LEU  27  12.477  -5.032  -1.874
  230   2HD2  LEU  27          HD22      LEU  27  13.804  -6.182  -2.043
  231   3HD2  LEU  27          HD23      LEU  27  14.109  -4.453  -2.216
  232    H    MET  28           HN       MET  28  15.373  -0.901  -0.376
  233    HA   MET  28           HA       MET  28  16.754  -1.850  -2.678
  234   1HB   MET  28          HB2       MET  28  15.942   0.605  -1.481
  235   2HB   MET  28          HB1       MET  28  17.649   0.771  -1.890
  236   1HG   MET  28          HG2       MET  28  17.239   0.739  -4.124
  237   2HG   MET  28          HG1       MET  28  16.039  -0.544  -3.978
  238   1HE   MET  28          HE1       MET  28  13.764  -0.302  -4.346
  239   2HE   MET  28          HE2       MET  28  14.454   0.500  -5.756
  240   3HE   MET  28          HE3       MET  28  13.041   1.192  -4.960
  241    HA   PRO  29           HA       PRO  29  20.590  -2.909  -0.629
  242   1HB   PRO  29          HB2       PRO  29  21.860  -3.868  -2.855
  243   2HB   PRO  29          HB1       PRO  29  20.639  -4.796  -1.961
  244   1HG   PRO  29          HG2       PRO  29  20.386  -3.302  -4.512
  245   2HG   PRO  29          HG1       PRO  29  19.613  -4.809  -4.002
  246   1HD   PRO  29          HD2       PRO  29  18.381  -2.346  -4.018
  247   2HD   PRO  29          HD1       PRO  29  17.872  -3.724  -3.019
  248    H    GLN  30           HN       GLN  30  21.440  -0.844  -0.149
  249    HA   GLN  30           HA       GLN  30  22.766   1.086  -0.388
  250   1HB   GLN  30          HB2       GLN  30  24.349  -0.798  -0.756
  251   2HB   GLN  30          HB1       GLN  30  24.013  -0.720  -2.482
  252   1HG   GLN  30          HG2       GLN  30  25.974   0.561  -2.283
  253   2HG   GLN  30          HG1       GLN  30  24.709   1.789  -2.261
  254   1HE2  GLN  30          HE21      GLN  30  24.299   2.908  -0.241
  255   2HE2  GLN  30          HE22      GLN  30  25.322   2.742   1.103
  256    H    LEU  31           HN       LEU  31  20.732   2.097  -1.373
  257    HA   LEU  31           HA       LEU  31  21.403   3.206  -4.049
  258   1HB   LEU  31          HB2       LEU  31  19.965   1.107  -4.226
  259   2HB   LEU  31          HB1       LEU  31  18.694   2.008  -3.401
  260    HG   LEU  31           HG       LEU  31  19.940   3.395  -5.705
  261   1HD1  LEU  31          HD11      LEU  31  18.217   0.921  -6.029
  262   2HD1  LEU  31          HD12      LEU  31  19.853   1.158  -6.644
  263   3HD1  LEU  31          HD13      LEU  31  18.515   2.091  -7.313
  264   1HD2  LEU  31          HD21      LEU  31  17.145   2.938  -4.631
  265   2HD2  LEU  31          HD22      LEU  31  17.456   3.808  -6.134
  266   3HD2  LEU  31          HD23      LEU  31  18.079   4.433  -4.606
  Start of MODEL    9
    1   1H    SER   1           HT1      SER   1 -26.052  -3.768  -2.348
    2   2H    SER   1           HT2      SER   1 -25.839  -5.425  -2.656
    3   3H    SER   1           HT3      SER   1 -26.443  -4.404  -3.872
    4    HA   SER   1           HA       SER   1 -24.163  -4.828  -4.389
    5   1HB   SER   1          HB2       SER   1 -24.541  -2.111  -3.086
    6   2HB   SER   1          HB1       SER   1 -23.416  -2.492  -4.386
    7    HG   SER   1           HG       SER   1 -25.368  -1.577  -5.166
    8    H    GLY   2           HN       GLY   2 -24.270  -3.144  -1.205
    9   1HA   GLY   2          HA2       GLY   2 -23.160  -4.070   0.768
   10   2HA   GLY   2          HA1       GLY   2 -22.042  -4.913  -0.304
   11    H    SER   3           HN       SER   3 -22.748  -1.894   1.283
   12    HA   SER   3           HA       SER   3 -20.404  -0.560   0.007
   13   1HB   SER   3          HB2       SER   3 -22.720   0.324   1.742
   14   2HB   SER   3          HB1       SER   3 -21.385   1.399   1.336
   15    HG   SER   3           HG       SER   3 -23.011   1.641  -0.187
   16    H    TRP   4           HN       TRP   4 -20.129  -2.780   2.040
   17    HA   TRP   4           HA       TRP   4 -19.007  -1.326   4.384
   18   1HB   TRP   4          HB2       TRP   4 -20.563  -3.550   4.161
   19   2HB   TRP   4          HB1       TRP   4 -18.961  -4.286   4.220
   20    HD1  TRP   4           HD1      TRP   4 -21.459  -2.358   6.309
   21    HE1  TRP   4           HE1      TRP   4 -20.637  -2.267   8.749
   22    HE3  TRP   4           HE3      TRP   4 -16.756  -4.271   5.730
   23    HZ2  TRP   4           HZ2      TRP   4 -18.296  -2.922  10.258
   24    HZ3  TRP   4           HZ3      TRP   4 -15.257  -4.528   7.684
   25    HH2  TRP   4           HH2      TRP   4 -16.018  -3.855   9.945
   26    H    LEU   5           HN       LEU   5 -18.040  -3.143   1.563
   27    HA   LEU   5           HA       LEU   5 -15.283  -3.571   2.517
   28   1HB   LEU   5          HB2       LEU   5 -16.718  -5.099   1.019
   29   2HB   LEU   5          HB1       LEU   5 -16.401  -3.940  -0.271
   30    HG   LEU   5           HG       LEU   5 -13.925  -4.547   1.058
   31   1HD1  LEU   5          HD11      LEU   5 -14.923  -6.652   1.749
   32   2HD1  LEU   5          HD12      LEU   5 -13.809  -6.969   0.418
   33   3HD1  LEU   5          HD13      LEU   5 -15.547  -6.931   0.123
   34   1HD2  LEU   5          HD21      LEU   5 -15.070  -5.052  -1.703
   35   2HD2  LEU   5          HD22      LEU   5 -13.392  -5.399  -1.283
   36   3HD2  LEU   5          HD23      LEU   5 -13.997  -3.743  -1.208
   37    H    ARG   6           HN       ARG   6 -17.053  -1.232   0.564
   38    HA   ARG   6           HA       ARG   6 -14.915  -0.101  -0.942
   39   1HB   ARG   6          HB2       ARG   6 -17.422   0.321  -1.083
   40   2HB   ARG   6          HB1       ARG   6 -17.251   1.360   0.333
   41   1HG   ARG   6          HG2       ARG   6 -16.052   2.974  -0.819
   42   2HG   ARG   6          HG1       ARG   6 -15.420   1.817  -1.991
   43   1HD   ARG   6          HD2       ARG   6 -18.377   2.187  -2.002
   44   2HD   ARG   6          HD1       ARG   6 -17.409   3.546  -2.605
   45    HE   ARG   6           HE       ARG   6 -16.234   1.809  -4.076
   46   1HH1  ARG   6          HH21      ARG   6 -17.741  -0.544  -2.896
   47   2HH1  ARG   6          HH22      ARG   6 -18.956  -0.817  -4.102
   48   1HH2  ARG   6          HH11      ARG   6 -18.521   2.282  -5.616
   49   2HH2  ARG   6          HH12      ARG   6 -19.402   0.791  -5.640
   50    H    ASP   7           HN       ASP   7 -16.165   0.848   2.288
   51    HA   ASP   7           HA       ASP   7 -14.165   2.873   2.761
   52   1HB   ASP   7          HB2       ASP   7 -16.412   1.580   4.107
   53   2HB   ASP   7          HB1       ASP   7 -15.096   1.931   5.230
   54    H    ILE   8           HN       ILE   8 -14.282  -0.626   3.472
   55    HA   ILE   8           HA       ILE   8 -11.869  -0.541   5.127
   56    HB   ILE   8           HB       ILE   8 -13.956  -2.197   5.021
   57   1HG1  ILE   8          HG12      ILE   8 -11.401  -3.644   5.495
   58   2HG1  ILE   8          HG11      ILE   8 -11.621  -2.139   6.387
   59   1HG2  ILE   8          HG21      ILE   8 -11.982  -3.889   3.525
   60   2HG2  ILE   8          HG22      ILE   8 -13.068  -2.845   2.612
   61   3HG2  ILE   8          HG23      ILE   8 -13.728  -4.081   3.680
   62   1HD1  ILE   8          HD11      ILE   8 -13.900  -3.004   7.082
   63   2HD1  ILE   8          HD12      ILE   8 -12.532  -3.894   7.752
   64   3HD1  ILE   8          HD13      ILE   8 -13.437  -4.561   6.393
   65    H    TRP   9           HN       TRP   9 -12.377  -0.433   1.756
   66    HA   TRP   9           HA       TRP   9  -9.858  -1.862   1.094
   67   1HB   TRP   9          HB2       TRP   9 -12.337  -1.308  -0.190
   68   2HB   TRP   9          HB1       TRP   9 -11.090  -0.480  -1.119
   69    HD1  TRP   9           HD1      TRP   9 -11.550  -3.983   0.492
   70    HE1  TRP   9           HE1      TRP   9 -10.543  -5.731  -1.118
   71    HE3  TRP   9           HE3      TRP   9  -9.830  -0.896  -3.190
   72    HZ2  TRP   9           HZ2      TRP   9  -9.186  -5.803  -3.636
   73    HZ3  TRP   9           HZ3      TRP   9  -8.685  -1.827  -5.182
   74    HH2  TRP   9           HH2      TRP   9  -8.362  -4.275  -5.409
   75    H    ASP  10           HN       ASP  10 -11.251   1.432   0.873
   76    HA   ASP  10           HA       ASP  10  -8.932   2.713  -0.242
   77   1HB   ASP  10          HB2       ASP  10 -11.148   3.724  -0.256
   78   2HB   ASP  10          HB1       ASP  10 -11.217   3.689   1.506
   79    H    TRP  11           HN       TRP  11  -9.982   2.147   3.128
   80    HA   TRP  11           HA       TRP  11  -7.923   3.637   4.429
   81   1HB   TRP  11          HB2       TRP  11  -9.131   2.919   6.212
   82   2HB   TRP  11          HB1       TRP  11 -10.138   2.034   5.080
   83    HD1  TRP  11           HD1      TRP  11 -10.204  -0.485   5.355
   84    HE1  TRP  11           HE1      TRP  11  -8.848  -2.232   6.675
   85    HE3  TRP  11           HE3      TRP  11  -6.462   2.484   7.150
   86    HZ2  TRP  11           HZ2      TRP  11  -6.487  -2.354   8.280
   87    HZ3  TRP  11           HZ3      TRP  11  -4.673   1.526   8.571
   88    HH2  TRP  11           HH2      TRP  11  -4.680  -0.887   9.138
   89    H    ILE  12           HN       ILE  12  -7.949   0.361   3.066
   90    HA   ILE  12           HA       ILE  12  -5.334  -0.374   4.168
   91    HB   ILE  12           HB       ILE  12  -7.344  -1.494   2.220
   92   1HG1  ILE  12          HG12      ILE  12  -7.664  -1.854   4.630
   93   2HG1  ILE  12          HG11      ILE  12  -7.293  -3.379   3.830
   94   1HG2  ILE  12          HG21      ILE  12  -5.680  -3.521   2.160
   95   2HG2  ILE  12          HG22      ILE  12  -4.458  -2.297   2.505
   96   3HG2  ILE  12          HG23      ILE  12  -5.439  -2.176   1.045
   97   1HD1  ILE  12          HD11      ILE  12  -4.833  -2.896   4.445
   98   2HD1  ILE  12          HD12      ILE  12  -5.910  -3.374   5.757
   99   3HD1  ILE  12          HD13      ILE  12  -5.478  -1.678   5.545
  100    H    CYS  13           HN       CYS  13  -6.540   1.086   1.169
  101    HA   CYS  13           HA       CYS  13  -4.099   0.747  -0.354
  102   1HB   CYS  13          HB2       CYS  13  -6.572   1.266  -1.043
  103   2HB   CYS  13          HB1       CYS  13  -6.119   2.947  -0.756
  104    HG   CYS  13           HG       CYS  13  -5.552   1.672  -3.277
  105    H    GLU  14           HN       GLU  14  -5.434   3.465   1.565
  106    HA   GLU  14           HA       GLU  14  -3.393   5.378   1.017
  107   1HB   GLU  14          HB2       GLU  14  -5.690   5.067   2.668
  108   2HB   GLU  14          HB1       GLU  14  -4.370   5.573   3.724
  109   1HG   GLU  14          HG2       GLU  14  -4.082   7.596   2.627
  110   2HG   GLU  14          HG1       GLU  14  -4.713   6.980   1.102
  111    H    VAL  15           HN       VAL  15  -3.602   2.869   3.558
  112    HA   VAL  15           HA       VAL  15  -1.017   3.602   4.724
  113    HB   VAL  15           HB       VAL  15  -3.007   2.588   5.922
  114   1HG1  VAL  15          HG11      VAL  15  -3.198   0.088   5.771
  115   2HG1  VAL  15          HG12      VAL  15  -2.119   0.135   4.378
  116   3HG1  VAL  15          HG13      VAL  15  -3.693   0.923   4.300
  117   1HG2  VAL  15          HG21      VAL  15  -0.939   2.531   7.089
  118   2HG2  VAL  15          HG22      VAL  15  -0.284   1.284   6.028
  119   3HG2  VAL  15          HG23      VAL  15  -1.557   0.882   7.181
  120    H    LEU  16           HN       LEU  16  -2.140   1.431   2.195
  121    HA   LEU  16           HA       LEU  16   0.046  -0.410   2.103
  122   1HB   LEU  16          HB2       LEU  16  -2.286   0.280   0.602
  123   2HB   LEU  16          HB1       LEU  16  -0.935   0.212  -0.527
  124    HG   LEU  16           HG       LEU  16  -1.510  -1.965   1.497
  125   1HD1  LEU  16          HD11      LEU  16  -3.336  -1.559  -0.269
  126   2HD1  LEU  16          HD12      LEU  16  -2.657  -3.184  -0.189
  127   3HD1  LEU  16          HD13      LEU  16  -2.138  -2.073  -1.457
  128   1HD2  LEU  16          HD21      LEU  16   0.055  -3.258   0.194
  129   2HD2  LEU  16          HD22      LEU  16   0.821  -1.705   0.524
  130   3HD2  LEU  16          HD23      LEU  16   0.117  -2.022  -1.061
  131    H    SER  17           HN       SER  17  -0.409   2.758   0.471
  132    HA   SER  17           HA       SER  17   2.069   2.718  -0.992
  133   1HB   SER  17          HB2       SER  17   1.646   5.255  -0.952
  134   2HB   SER  17          HB1       SER  17   0.347   4.265  -1.607
  135    HG   SER  17           HG       SER  17   0.510   5.683   0.794
  136    H    ASP  18           HN       ASP  18   1.205   3.920   2.256
  137    HA   ASP  18           HA       ASP  18   3.728   5.101   2.936
  138   1HB   ASP  18          HB2       ASP  18   1.248   4.816   4.075
  139   2HB   ASP  18          HB1       ASP  18   2.190   3.684   5.046
  140    H    PHE  19           HN       PHE  19   2.473   1.786   3.200
  141    HA   PHE  19           HA       PHE  19   4.758   0.647   4.559
  142   1HB   PHE  19          HB2       PHE  19   2.311  -0.181   4.256
  143   2HB   PHE  19          HB1       PHE  19   2.856  -0.781   2.691
  144    HD1  PHE  19           HD1      PHE  19   3.391  -3.038   2.680
  145    HD2  PHE  19           HD2      PHE  19   4.241  -0.714   6.193
  146    HE1  PHE  19           HE1      PHE  19   4.343  -5.046   3.779
  147    HE2  PHE  19           HE2      PHE  19   5.194  -2.723   7.290
  148    HZ   PHE  19           HZ       PHE  19   5.245  -4.889   6.083
  149    H    LYS  20           HN       LYS  20   3.852   1.027   1.123
  150    HA   LYS  20           HA       LYS  20   5.931  -0.555  -0.042
  151   1HB   LYS  20          HB2       LYS  20   3.794   0.624  -1.003
  152   2HB   LYS  20          HB1       LYS  20   4.869   2.003  -1.235
  153   1HG   LYS  20          HG2       LYS  20   6.386   0.633  -2.585
  154   2HG   LYS  20          HG1       LYS  20   5.380  -0.789  -2.305
  155   1HD   LYS  20          HD2       LYS  20   4.291  -0.212  -4.202
  156   2HD   LYS  20          HD1       LYS  20   3.563   1.081  -3.249
  157   1HE   LYS  20          HE2       LYS  20   4.605   2.604  -4.560
  158   2HE   LYS  20          HE1       LYS  20   6.175   1.957  -4.042
  159   1HZ   LYS  20          HZ1       LYS  20   5.925   1.708  -6.427
  160   2HZ   LYS  20          HZ2       LYS  20   4.464   0.867  -6.220
  161   3HZ   LYS  20          HZ3       LYS  20   5.926   0.180  -5.690
  162    H    THR  21           HN       THR  21   5.826   2.925   0.812
  163    HA   THR  21           HA       THR  21   8.441   3.629  -0.124
  164    HB   THR  21           HB       THR  21   6.757   4.703   2.171
  165    HG1  THR  21           HG1      THR  21   5.597   5.548   0.655
  166   1HG2  THR  21          HG21      THR  21   9.088   5.503   2.263
  167   2HG2  THR  21          HG22      THR  21   7.994   6.805   1.797
  168   3HG2  THR  21          HG23      THR  21   8.984   6.006   0.576
  169    H    TRP  22           HN       TRP  22   7.297   2.273   2.959
  170    HA   TRP  22           HA       TRP  22   9.808   2.453   4.382
  171   1HB   TRP  22          HB2       TRP  22   7.813   2.220   5.642
  172   2HB   TRP  22          HB1       TRP  22   7.219   0.911   4.625
  173    HD1  TRP  22           HD1      TRP  22   9.672   1.637   7.462
  174    HE1  TRP  22           HE1      TRP  22  10.352  -0.596   8.558
  175    HE3  TRP  22           HE3      TRP  22   7.471  -1.644   4.227
  176    HZ2  TRP  22           HZ2      TRP  22  10.009  -3.403   8.118
  177    HZ3  TRP  22           HZ3      TRP  22   7.662  -4.086   4.587
  178    HH2  TRP  22           HH2      TRP  22   8.925  -4.970   6.522
  179    H    LEU  23           HN       LEU  23   8.276  -0.081   2.383
  180    HA   LEU  23           HA       LEU  23  10.216  -2.148   2.843
  181   1HB   LEU  23          HB2       LEU  23   7.954  -1.545   1.080
  182   2HB   LEU  23          HB1       LEU  23   9.202  -2.489   0.266
  183    HG   LEU  23           HG       LEU  23   8.720  -3.452   2.976
  184   1HD1  LEU  23          HD11      LEU  23   6.450  -2.871   2.812
  185   2HD1  LEU  23          HD12      LEU  23   6.474  -4.521   2.190
  186   3HD1  LEU  23          HD13      LEU  23   6.405  -3.158   1.073
  187   1HD2  LEU  23          HD21      LEU  23   8.542  -5.594   1.783
  188   2HD2  LEU  23          HD22      LEU  23   9.927  -4.675   1.194
  189   3HD2  LEU  23          HD23      LEU  23   8.442  -4.741   0.243
  190    H    LYS  24           HN       LYS  24  10.183   0.656   0.701
  191    HA   LYS  24           HA       LYS  24  12.504  -0.251  -0.872
  192   1HB   LYS  24          HB2       LYS  24  10.524   1.946  -0.829
  193   2HB   LYS  24          HB1       LYS  24  12.129   2.429  -1.378
  194   1HG   LYS  24          HG2       LYS  24  11.929   0.182  -2.799
  195   2HG   LYS  24          HG1       LYS  24  10.203   0.504  -2.612
  196   1HD   LYS  24          HD2       LYS  24  10.700   2.884  -3.402
  197   2HD   LYS  24          HD1       LYS  24  12.296   2.293  -3.868
  198   1HE   LYS  24          HE2       LYS  24   9.999   0.643  -4.799
  199   2HE   LYS  24          HE1       LYS  24  10.169   2.239  -5.555
  200   1HZ   LYS  24          HZ1       LYS  24  11.515   0.492  -6.655
  201   2HZ   LYS  24          HZ2       LYS  24  12.402   0.302  -5.217
  202   3HZ   LYS  24          HZ3       LYS  24  12.450   1.777  -6.063
  203    H    ALA  25           HN       ALA  25  11.818   2.142   1.693
  204    HA   ALA  25           HA       ALA  25  14.474   3.251   1.850
  205   1HB   ALA  25          HB1       ALA  25  13.612   4.295   3.823
  206   2HB   ALA  25          HB2       ALA  25  12.454   2.993   4.091
  207   3HB   ALA  25          HB3       ALA  25  12.223   4.116   2.752
  208    H    LYS  26           HN       LYS  26  12.833   0.645   3.679
  209    HA   LYS  26           HA       LYS  26  15.291  -0.011   5.172
  210   1HB   LYS  26          HB2       LYS  26  12.940  -0.074   6.087
  211   2HB   LYS  26          HB1       LYS  26  12.609  -1.427   5.005
  212   1HG   LYS  26          HG2       LYS  26  13.193  -2.376   7.133
  213   2HG   LYS  26          HG1       LYS  26  14.579  -2.624   6.074
  214   1HD   LYS  26          HD2       LYS  26  14.771  -0.050   7.390
  215   2HD   LYS  26          HD1       LYS  26  14.573  -1.336   8.581
  216   1HE   LYS  26          HE2       LYS  26  16.527  -2.474   7.854
  217   2HE   LYS  26          HE1       LYS  26  16.575  -1.580   6.322
  218   1HZ   LYS  26          HZ1       LYS  26  18.140  -0.726   8.049
  219   2HZ   LYS  26          HZ2       LYS  26  16.796  -0.287   8.989
  220   3HZ   LYS  26          HZ3       LYS  26  17.048   0.435   7.472
  221    H    LEU  27           HN       LEU  27  13.755  -0.964   2.202
  222    HA   LEU  27           HA       LEU  27  14.401  -2.497   0.547
  223   1HB   LEU  27          HB2       LEU  27  16.717  -1.759   1.946
  224   2HB   LEU  27          HB1       LEU  27  16.782  -3.520   1.895
  225    HG   LEU  27           HG       LEU  27  17.881  -2.603  -0.087
  226   1HD1  LEU  27          HD11      LEU  27  16.306  -4.669  -0.176
  227   2HD1  LEU  27          HD12      LEU  27  16.811  -3.942  -1.701
  228   3HD1  LEU  27          HD13      LEU  27  15.207  -3.604  -1.052
  229   1HD2  LEU  27          HD21      LEU  27  16.378  -0.476   0.026
  230   2HD2  LEU  27          HD22      LEU  27  15.250  -1.411  -0.957
  231   3HD2  LEU  27          HD23      LEU  27  16.871  -1.068  -1.561
  232    H    MET  28           HN       MET  28  12.724  -3.976   0.874
  233    HA   MET  28           HA       MET  28  11.825  -6.112   1.299
  234   1HB   MET  28          HB2       MET  28  14.600  -6.405   1.234
  235   2HB   MET  28          HB1       MET  28  14.131  -7.184   2.745
  236   1HG   MET  28          HG2       MET  28  12.917  -8.826   1.682
  237   2HG   MET  28          HG1       MET  28  12.473  -7.776   0.337
  238   1HE   MET  28          HE1       MET  28  14.437 -10.908  -1.056
  239   2HE   MET  28          HE2       MET  28  13.062  -9.872  -1.431
  240   3HE   MET  28          HE3       MET  28  13.160 -10.656   0.143
  241    HA   PRO  29           HA       PRO  29  10.478  -5.605   5.466
  242   1HB   PRO  29          HB2       PRO  29   8.937  -7.853   5.697
  243   2HB   PRO  29          HB1       PRO  29   8.445  -6.439   4.744
  244   1HG   PRO  29          HG2       PRO  29   9.515  -9.046   3.839
  245   2HG   PRO  29          HG1       PRO  29   8.354  -7.964   3.057
  246   1HD   PRO  29          HD2       PRO  29  11.035  -8.209   2.383
  247   2HD   PRO  29          HD1       PRO  29   9.983  -6.845   1.950
  248    H    GLN  30           HN       GLN  30  10.300  -7.091   7.555
  249    HA   GLN  30           HA       GLN  30  12.936  -8.201   8.069
  250   1HB   GLN  30          HB2       GLN  30  11.952  -8.627  10.314
  251   2HB   GLN  30          HB1       GLN  30  11.616  -6.991   9.755
  252   1HG   GLN  30          HG2       GLN  30   9.426  -8.256   8.779
  253   2HG   GLN  30          HG1       GLN  30   9.752  -9.268  10.187
  254   1HE2  GLN  30          HE21      GLN  30   8.497  -6.190   9.168
  255   2HE2  GLN  30          HE22      GLN  30   8.229  -5.555  10.719
  256    H    LEU  31           HN       LEU  31  12.921  -9.903   6.367
  257    HA   LEU  31           HA       LEU  31  11.473 -12.377   7.264
  258   1HB   LEU  31          HB2       LEU  31  11.601 -10.924   4.693
  259   2HB   LEU  31          HB1       LEU  31  11.861 -12.663   4.553
  260    HG   LEU  31           HG       LEU  31   9.772 -12.877   6.087
  261   1HD1  LEU  31          HD11      LEU  31   9.009 -10.867   6.806
  262   2HD1  LEU  31          HD12      LEU  31   8.341 -10.690   5.184
  263   3HD1  LEU  31          HD13      LEU  31   9.911  -9.988   5.571
  264   1HD2  LEU  31          HD21      LEU  31   9.367 -11.788   3.286
  265   2HD2  LEU  31          HD22      LEU  31   8.329 -12.921   4.149
  266   3HD2  LEU  31          HD23      LEU  31   9.935 -13.423   3.621
  Start of MODEL   10
    1   1H    SER   1           HT1      SER   1 -24.285  -3.759  -8.692
    2   2H    SER   1           HT2      SER   1 -25.314  -2.756  -7.785
    3   3H    SER   1           HT3      SER   1 -25.065  -4.370  -7.316
    4    HA   SER   1           HA       SER   1 -22.779  -3.929  -6.746
    5   1HB   SER   1          HB2       SER   1 -23.496  -1.247  -7.962
    6   2HB   SER   1          HB1       SER   1 -22.009  -1.533  -7.064
    7    HG   SER   1           HG       SER   1 -21.488  -1.950  -9.142
    8    H    GLY   2           HN       GLY   2 -22.104  -2.577  -4.792
    9   1HA   GLY   2          HA2       GLY   2 -24.469  -1.523  -3.295
   10   2HA   GLY   2          HA1       GLY   2 -23.348  -2.651  -2.530
   11    H    SER   3           HN       SER   3 -23.279  -0.629  -1.030
   12    HA   SER   3           HA       SER   3 -21.209   1.302  -2.029
   13   1HB   SER   3          HB2       SER   3 -23.487   1.496  -0.049
   14   2HB   SER   3          HB1       SER   3 -22.207   2.705  -0.114
   15    HG   SER   3           HG       SER   3 -24.352   2.514  -1.645
   16    H    TRP   4           HN       TRP   4 -20.160  -1.065  -1.183
   17    HA   TRP   4           HA       TRP   4 -18.933  -0.350   1.443
   18   1HB   TRP   4          HB2       TRP   4 -20.580  -2.721   0.692
   19   2HB   TRP   4          HB1       TRP   4 -19.162  -3.033   1.695
   20    HD1  TRP   4           HD1      TRP   4 -22.671  -2.145   1.999
   21    HE1  TRP   4           HE1      TRP   4 -23.195  -1.137   4.314
   22    HE3  TRP   4           HE3      TRP   4 -17.928  -1.184   3.639
   23    HZ2  TRP   4           HZ2      TRP   4 -21.788  -0.064   6.562
   24    HZ3  TRP   4           HZ3      TRP   4 -17.550  -0.170   5.866
   25    HH2  TRP   4           HH2      TRP   4 -19.473   0.390   7.330
   26    H    LEU   5           HN       LEU   5 -17.126  -2.231   1.798
   27    HA   LEU   5           HA       LEU   5 -15.102  -3.178   1.093
   28   1HB   LEU   5          HB2       LEU   5 -17.047  -3.598  -1.017
   29   2HB   LEU   5          HB1       LEU   5 -15.430  -3.410  -1.697
   30    HG   LEU   5           HG       LEU   5 -14.626  -5.084   0.035
   31   1HD1  LEU   5          HD11      LEU   5 -16.523  -6.601   0.860
   32   2HD1  LEU   5          HD12      LEU   5 -17.618  -5.286   0.433
   33   3HD1  LEU   5          HD13      LEU   5 -16.374  -5.035   1.657
   34   1HD2  LEU   5          HD21      LEU   5 -16.741  -6.036  -1.919
   35   2HD2  LEU   5          HD22      LEU   5 -15.433  -7.012  -1.252
   36   3HD2  LEU   5          HD23      LEU   5 -15.068  -5.671  -2.338
   37    H    ARG   6           HN       ARG   6 -16.087  -1.013  -1.624
   38    HA   ARG   6           HA       ARG   6 -13.510  -0.044  -2.254
   39   1HB   ARG   6          HB2       ARG   6 -16.169   0.411  -2.993
   40   2HB   ARG   6          HB1       ARG   6 -15.615   1.982  -2.419
   41   1HG   ARG   6          HG2       ARG   6 -13.997   0.319  -4.357
   42   2HG   ARG   6          HG1       ARG   6 -15.213   1.475  -4.899
   43   1HD   ARG   6          HD2       ARG   6 -13.567   2.768  -2.927
   44   2HD   ARG   6          HD1       ARG   6 -12.517   2.028  -4.153
   45    HE   ARG   6           HE       ARG   6 -13.817   3.238  -5.883
   46   1HH1  ARG   6          HH11      ARG   6 -16.184   3.709  -3.949
   47   2HH1  ARG   6          HH12      ARG   6 -16.052   5.418  -3.701
   48   1HH2  ARG   6          HH21      ARG   6 -12.827   5.620  -4.986
   49   2HH2  ARG   6          HH22      ARG   6 -14.145   6.506  -4.295
   50    H    ASP   7           HN       ASP   7 -15.806   1.104   0.228
   51    HA   ASP   7           HA       ASP   7 -14.145   3.361   1.044
   52   1HB   ASP   7          HB2       ASP   7 -15.873   3.676   2.685
   53   2HB   ASP   7          HB1       ASP   7 -16.679   3.087   1.232
   54    H    ILE   8           HN       ILE   8 -14.197  -0.042   1.788
   55    HA   ILE   8           HA       ILE   8 -12.688   0.315   4.326
   56    HB   ILE   8           HB       ILE   8 -13.257  -2.318   2.977
   57   1HG1  ILE   8          HG12      ILE   8 -15.293  -0.597   4.433
   58   2HG1  ILE   8          HG11      ILE   8 -15.369  -1.129   2.754
   59   1HG2  ILE   8          HG21      ILE   8 -13.350  -3.139   5.211
   60   2HG2  ILE   8          HG22      ILE   8 -13.523  -1.516   5.879
   61   3HG2  ILE   8          HG23      ILE   8 -11.987  -2.021   5.176
   62   1HD1  ILE   8          HD11      ILE   8 -15.199  -3.534   3.772
   63   2HD1  ILE   8          HD12      ILE   8 -16.747  -2.691   3.822
   64   3HD1  ILE   8          HD13      ILE   8 -15.729  -2.750   5.261
   65    H    TRP   9           HN       TRP   9 -12.223  -0.602   0.958
   66    HA   TRP   9           HA       TRP   9  -9.678  -1.882   1.189
   67   1HB   TRP   9          HB2       TRP   9 -11.239  -0.468  -0.963
   68   2HB   TRP   9          HB1       TRP   9  -9.583  -0.976  -1.291
   69    HD1  TRP   9           HD1      TRP   9 -12.065  -2.956   0.882
   70    HE1  TRP   9           HE1      TRP   9 -12.474  -5.243  -0.226
   71    HE3  TRP   9           HE3      TRP   9  -9.479  -2.302  -3.475
   72    HZ2  TRP   9           HZ2      TRP   9 -11.795  -6.620  -2.641
   73    HZ3  TRP   9           HZ3      TRP   9  -9.378  -4.117  -5.159
   74    HH2  TRP   9           HH2      TRP   9 -10.531  -6.272  -4.748
   75    H    ASP  10           HN       ASP  10 -10.517   1.542   0.493
   76    HA   ASP  10           HA       ASP  10  -7.836   2.508   0.233
   77   1HB   ASP  10          HB2       ASP  10 -10.184   3.556  -0.270
   78   2HB   ASP  10          HB1       ASP  10 -10.099   4.116   1.402
   79    H    TRP  11           HN       TRP  11  -9.950   2.166   3.089
   80    HA   TRP  11           HA       TRP  11  -8.315   3.512   4.989
   81   1HB   TRP  11          HB2       TRP  11 -10.231   2.995   6.076
   82   2HB   TRP  11          HB1       TRP  11 -10.638   1.781   4.872
   83    HD1  TRP  11           HD1      TRP  11 -10.803  -0.573   5.764
   84    HE1  TRP  11           HE1      TRP  11  -9.887  -1.857   7.802
   85    HE3  TRP  11           HE3      TRP  11  -7.888   3.058   7.865
   86    HZ2  TRP  11           HZ2      TRP  11  -8.154  -1.408  10.029
   87    HZ3  TRP  11           HZ3      TRP  11  -6.619   2.599   9.942
   88    HH2  TRP  11           HH2      TRP  11  -6.747   0.376  11.027
   89    H    ILE  12           HN       ILE  12  -8.015   0.275   3.589
   90    HA   ILE  12           HA       ILE  12  -5.788  -0.379   5.461
   91    HB   ILE  12           HB       ILE  12  -7.553  -1.879   3.527
   92   1HG1  ILE  12          HG12      ILE  12  -8.392  -1.671   5.778
   93   2HG1  ILE  12          HG11      ILE  12  -7.814  -3.325   5.590
   94   1HG2  ILE  12          HG21      ILE  12  -6.124  -3.921   4.186
   95   2HG2  ILE  12          HG22      ILE  12  -4.878  -2.755   4.631
   96   3HG2  ILE  12          HG23      ILE  12  -5.454  -2.838   2.966
   97   1HD1  ILE  12          HD11      ILE  12  -6.581  -1.054   7.130
   98   2HD1  ILE  12          HD12      ILE  12  -5.557  -2.352   6.518
   99   3HD1  ILE  12          HD13      ILE  12  -6.866  -2.718   7.641
  100    H    CYS  13           HN       CYS  13  -6.444   0.221   2.016
  101    HA   CYS  13           HA       CYS  13  -3.747  -0.458   1.142
  102   1HB   CYS  13          HB2       CYS  13  -5.920  -0.548  -0.180
  103   2HB   CYS  13          HB1       CYS  13  -5.849   1.213  -0.261
  104    HG   CYS  13           HG       CYS  13  -3.506   0.940  -1.511
  105    H    GLU  14           HN       GLU  14  -5.468   2.614   1.835
  106    HA   GLU  14           HA       GLU  14  -3.357   4.361   0.964
  107   1HB   GLU  14          HB2       GLU  14  -5.840   4.821   1.488
  108   2HB   GLU  14          HB1       GLU  14  -5.340   4.916   3.178
  109   1HG   GLU  14          HG2       GLU  14  -5.143   7.144   2.530
  110   2HG   GLU  14          HG1       GLU  14  -3.506   6.561   2.231
  111    H    VAL  15           HN       VAL  15  -4.012   2.768   4.075
  112    HA   VAL  15           HA       VAL  15  -1.875   4.198   5.485
  113    HB   VAL  15           HB       VAL  15  -3.566   1.756   6.133
  114   1HG1  VAL  15          HG11      VAL  15  -2.874   2.409   8.526
  115   2HG1  VAL  15          HG12      VAL  15  -1.585   3.348   7.772
  116   3HG1  VAL  15          HG13      VAL  15  -1.655   1.601   7.541
  117   1HG2  VAL  15          HG21      VAL  15  -4.769   3.390   7.598
  118   2HG2  VAL  15          HG22      VAL  15  -4.890   3.796   5.888
  119   3HG2  VAL  15          HG23      VAL  15  -3.772   4.680   6.926
  120    H    LEU  16           HN       LEU  16  -2.199   1.151   3.717
  121    HA   LEU  16           HA       LEU  16   0.359   0.081   4.699
  122   1HB   LEU  16          HB2       LEU  16  -1.779  -1.186   4.025
  123   2HB   LEU  16          HB1       LEU  16  -1.295  -0.877   2.357
  124    HG   LEU  16           HG       LEU  16   0.960  -1.860   3.885
  125   1HD1  LEU  16          HD11      LEU  16  -0.919  -2.910   5.211
  126   2HD1  LEU  16          HD12      LEU  16   0.167  -4.068   4.443
  127   3HD1  LEU  16          HD13      LEU  16  -1.414  -3.738   3.734
  128   1HD2  LEU  16          HD21      LEU  16   0.950  -3.557   2.061
  129   2HD2  LEU  16          HD22      LEU  16   0.793  -1.915   1.438
  130   3HD2  LEU  16          HD23      LEU  16  -0.625  -2.959   1.539
  131    H    SER  17           HN       SER  17  -0.816   1.781   1.799
  132    HA   SER  17           HA       SER  17   1.354   1.292   0.037
  133   1HB   SER  17          HB2       SER  17   0.621   3.487  -0.961
  134   2HB   SER  17          HB1       SER  17  -0.710   2.378  -0.648
  135    HG   SER  17           HG       SER  17  -1.469   4.055   0.394
  136    H    ASP  18           HN       ASP  18   0.994   3.926   2.458
  137    HA   ASP  18           HA       ASP  18   3.533   5.172   1.972
  138   1HB   ASP  18          HB2       ASP  18   1.710   6.194   3.262
  139   2HB   ASP  18          HB1       ASP  18   1.825   4.918   4.476
  140    H    PHE  19           HN       PHE  19   2.549   2.440   4.013
  141    HA   PHE  19           HA       PHE  19   5.079   2.072   5.366
  142   1HB   PHE  19          HB2       PHE  19   2.479   1.101   5.498
  143   2HB   PHE  19          HB1       PHE  19   3.395  -0.300   4.941
  144    HD1  PHE  19           HD1      PHE  19   3.462   2.416   7.523
  145    HD2  PHE  19           HD2      PHE  19   4.619  -1.586   6.473
  146    HE1  PHE  19           HE1      PHE  19   4.326   2.064   9.819
  147    HE2  PHE  19           HE2      PHE  19   5.484  -1.937   8.771
  148    HZ   PHE  19           HZ       PHE  19   5.337  -0.112  10.444
  149    H    LYS  20           HN       LYS  20   3.928   1.240   2.174
  150    HA   LYS  20           HA       LYS  20   5.991  -0.842   1.752
  151   1HB   LYS  20          HB2       LYS  20   3.464  -0.535   0.866
  152   2HB   LYS  20          HB1       LYS  20   4.310   0.290  -0.443
  153   1HG   LYS  20          HG2       LYS  20   5.823  -2.020   0.002
  154   2HG   LYS  20          HG1       LYS  20   4.152  -2.562   0.140
  155   1HD   LYS  20          HD2       LYS  20   3.752  -2.269  -2.071
  156   2HD   LYS  20          HD1       LYS  20   4.591  -0.717  -2.105
  157   1HE   LYS  20          HE2       LYS  20   6.223  -3.228  -1.819
  158   2HE   LYS  20          HE1       LYS  20   5.611  -2.774  -3.421
  159   1HZ   LYS  20          HZ1       LYS  20   7.102  -0.964  -1.587
  160   2HZ   LYS  20          HZ2       LYS  20   6.544  -0.577  -3.147
  161   3HZ   LYS  20          HZ3       LYS  20   7.770  -1.736  -2.942
  162    H    THR  21           HN       THR  21   5.794   2.562   1.570
  163    HA   THR  21           HA       THR  21   7.537   2.947  -0.750
  164    HB   THR  21           HB       THR  21   6.433   4.693   1.470
  165    HG1  THR  21           HG1      THR  21   4.879   4.819   0.092
  166   1HG2  THR  21          HG21      THR  21   8.271   5.431  -0.819
  167   2HG2  THR  21          HG22      THR  21   8.536   5.705   0.903
  168   3HG2  THR  21          HG23      THR  21   7.288   6.611   0.048
  169    H    TRP  22           HN       TRP  22   7.939   3.343   2.817
  170    HA   TRP  22           HA       TRP  22  10.764   3.892   2.640
  171   1HB   TRP  22          HB2       TRP  22  10.676   3.805   5.028
  172   2HB   TRP  22          HB1       TRP  22   9.146   4.480   4.498
  173    HD1  TRP  22           HD1      TRP  22   6.990   3.244   5.167
  174    HE1  TRP  22           HE1      TRP  22   6.481   1.123   6.543
  175    HE3  TRP  22           HE3      TRP  22  11.688   1.265   5.556
  176    HZ2  TRP  22           HZ2      TRP  22   7.866  -1.103   7.661
  177    HZ3  TRP  22           HZ3      TRP  22  12.062  -0.848   6.787
  178    HH2  TRP  22           HH2      TRP  22  10.158  -2.037   7.838
  179    H    LEU  23           HN       LEU  23   8.929   0.901   2.700
  180    HA   LEU  23           HA       LEU  23  11.174  -0.797   3.480
  181   1HB   LEU  23          HB2       LEU  23   8.341  -1.012   2.764
  182   2HB   LEU  23          HB1       LEU  23   9.302  -2.346   2.122
  183    HG   LEU  23           HG       LEU  23   9.814  -1.513   4.938
  184   1HD1  LEU  23          HD11      LEU  23   7.961  -3.077   5.659
  185   2HD1  LEU  23          HD12      LEU  23   7.360  -3.012   4.002
  186   3HD1  LEU  23          HD13      LEU  23   7.416  -1.544   4.981
  187   1HD2  LEU  23          HD21      LEU  23   9.562  -4.234   3.626
  188   2HD2  LEU  23          HD22      LEU  23  10.278  -3.877   5.198
  189   3HD2  LEU  23          HD23      LEU  23  11.070  -3.325   3.722
  190    H    LYS  24           HN       LYS  24   9.675   0.204   0.402
  191    HA   LYS  24           HA       LYS  24  11.243  -1.480  -1.329
  192   1HB   LYS  24          HB2       LYS  24   9.090  -0.116  -1.754
  193   2HB   LYS  24          HB1       LYS  24  10.155   1.272  -1.969
  194   1HG   LYS  24          HG2       LYS  24  11.441  -0.215  -3.649
  195   2HG   LYS  24          HG1       LYS  24  10.015  -1.252  -3.619
  196   1HD   LYS  24          HD2       LYS  24   8.677   0.923  -4.075
  197   2HD   LYS  24          HD1       LYS  24  10.234   1.611  -4.542
  198   1HE   LYS  24          HE2       LYS  24  10.536  -0.086  -6.262
  199   2HE   LYS  24          HE1       LYS  24   9.072  -0.936  -5.730
  200   1HZ   LYS  24          HZ1       LYS  24   7.806   1.109  -6.159
  201   2HZ   LYS  24          HZ2       LYS  24   8.541   0.516  -7.572
  202   3HZ   LYS  24          HZ3       LYS  24   9.208   1.852  -6.762
  203    H    ALA  25           HN       ALA  25  11.706   1.847  -0.117
  204    HA   ALA  25           HA       ALA  25  14.081   2.483  -1.587
  205   1HB   ALA  25          HB1       ALA  25  13.302   3.402   1.197
  206   2HB   ALA  25          HB2       ALA  25  12.515   3.995  -0.266
  207   3HB   ALA  25          HB3       ALA  25  14.234   4.297  -0.003
  208    H    LYS  26           HN       LYS  26  13.593   0.878   1.563
  209    HA   LYS  26           HA       LYS  26  16.398   0.742   2.273
  210   1HB   LYS  26          HB2       LYS  26  14.272   0.544   3.720
  211   2HB   LYS  26          HB1       LYS  26  14.187  -1.126   3.156
  212   1HG   LYS  26          HG2       LYS  26  16.076  -1.763   4.319
  213   2HG   LYS  26          HG1       LYS  26  16.808  -0.162   4.216
  214   1HD   LYS  26          HD2       LYS  26  16.183   0.018   6.396
  215   2HD   LYS  26          HD1       LYS  26  14.590   0.372   5.726
  216   1HE   LYS  26          HE2       LYS  26  13.772  -1.769   6.182
  217   2HE   LYS  26          HE1       LYS  26  15.389  -2.499   6.159
  218   1HZ   LYS  26          HZ1       LYS  26  15.943  -1.476   8.195
  219   2HZ   LYS  26          HZ2       LYS  26  14.395  -2.132   8.432
  220   3HZ   LYS  26          HZ3       LYS  26  14.580  -0.465   8.164
  221    H    LEU  27           HN       LEU  27  14.232  -1.334   0.389
  222    HA   LEU  27           HA       LEU  27  15.947  -3.665   0.339
  223   1HB   LEU  27          HB2       LEU  27  13.434  -2.695  -0.807
  224   2HB   LEU  27          HB1       LEU  27  14.350  -3.659  -1.961
  225    HG   LEU  27           HG       LEU  27  12.871  -5.113  -0.666
  226   1HD1  LEU  27          HD11      LEU  27  15.658  -5.540   0.413
  227   2HD1  LEU  27          HD12      LEU  27  15.273  -5.797  -1.289
  228   3HD1  LEU  27          HD13      LEU  27  14.466  -6.754  -0.047
  229   1HD2  LEU  27          HD21      LEU  27  12.422  -4.192   1.395
  230   2HD2  LEU  27          HD22      LEU  27  14.063  -3.581   1.600
  231   3HD2  LEU  27          HD23      LEU  27  13.716  -5.286   1.882
  232    H    MET  28           HN       MET  28  15.217  -1.269  -2.238
  233    HA   MET  28           HA       MET  28  16.487  -0.561  -4.092
  234   1HB   MET  28          HB2       MET  28  17.785   0.095  -1.916
  235   2HB   MET  28          HB1       MET  28  18.908  -1.176  -2.406
  236   1HG   MET  28          HG2       MET  28  18.893  -0.006  -4.722
  237   2HG   MET  28          HG1       MET  28  18.201   1.369  -3.860
  238   1HE   MET  28          HE1       MET  28  20.576   3.001  -1.946
  239   2HE   MET  28          HE2       MET  28  20.012   1.668  -0.940
  240   3HE   MET  28          HE3       MET  28  18.911   2.419  -2.093
  241    HA   PRO  29           HA       PRO  29  17.459  -4.880  -5.372
  242   1HB   PRO  29          HB2       PRO  29  16.075  -4.754  -7.733
  243   2HB   PRO  29          HB1       PRO  29  15.315  -5.189  -6.189
  244   1HG   PRO  29          HG2       PRO  29  15.278  -2.602  -7.655
  245   2HG   PRO  29          HG1       PRO  29  13.995  -3.393  -6.726
  246   1HD   PRO  29          HD2       PRO  29  15.495  -1.311  -5.781
  247   2HD   PRO  29          HD1       PRO  29  14.721  -2.527  -4.741
  248    H    GLN  30           HN       GLN  30  19.657  -4.319  -5.732
  249    HA   GLN  30           HA       GLN  30  21.542  -3.398  -6.851
  250   1HB   GLN  30          HB2       GLN  30  21.790  -4.608  -8.979
  251   2HB   GLN  30          HB1       GLN  30  21.070  -5.647  -7.754
  252   1HG   GLN  30          HG2       GLN  30  19.038  -5.733  -8.826
  253   2HG   GLN  30          HG1       GLN  30  19.187  -4.099  -9.468
  254   1HE2  GLN  30          HE21      GLN  30  20.792  -3.824 -11.319
  255   2HE2  GLN  30          HE22      GLN  30  21.032  -5.135 -12.372
  256    H    LEU  31           HN       LEU  31  20.073  -1.204  -6.661
  257    HA   LEU  31           HA       LEU  31  19.326  -0.097  -9.287
  258   1HB   LEU  31          HB2       LEU  31  18.324   0.257  -6.871
  259   2HB   LEU  31          HB1       LEU  31  19.599   1.468  -6.734
  260    HG   LEU  31           HG       LEU  31  18.067   1.570  -9.260
  261   1HD1  LEU  31          HD11      LEU  31  16.308   0.984  -7.562
  262   2HD1  LEU  31          HD12      LEU  31  16.089   2.578  -8.283
  263   3HD1  LEU  31          HD13      LEU  31  16.763   2.430  -6.660
  264   1HD2  LEU  31          HD21      LEU  31  18.245   3.959  -8.855
  265   2HD2  LEU  31          HD22      LEU  31  19.805   3.222  -8.494
  266   3HD2  LEU  31          HD23      LEU  31  18.721   3.681  -7.180
  Start of MODEL   11
    1   1H    SER   1           HT1      SER   1 -15.162   5.857   5.547
    2   2H    SER   1           HT2      SER   1 -15.572   6.036   7.186
    3   3H    SER   1           HT3      SER   1 -16.091   7.186   6.047
    4    HA   SER   1           HA       SER   1 -16.961   4.334   6.143
    5   1HB   SER   1          HB2       SER   1 -18.367   6.938   6.830
    6   2HB   SER   1          HB1       SER   1 -19.058   5.323   6.964
    7    HG   SER   1           HG       SER   1 -18.288   5.843   8.965
    8    H    GLY   2           HN       GLY   2 -18.792   3.969   4.627
    9   1HA   GLY   2          HA2       GLY   2 -19.431   5.927   2.584
   10   2HA   GLY   2          HA1       GLY   2 -18.325   4.694   1.980
   11    H    SER   3           HN       SER   3 -19.069   2.508   1.831
   12    HA   SER   3           HA       SER   3 -22.021   2.130   2.221
   13   1HB   SER   3          HB2       SER   3 -20.243   1.769  -0.164
   14   2HB   SER   3          HB1       SER   3 -21.612   0.677   0.030
   15    HG   SER   3           HG       SER   3 -22.984   2.371  -0.089
   16    H    TRP   4           HN       TRP   4 -19.049   0.267   1.369
   17    HA   TRP   4           HA       TRP   4 -19.393  -1.528   3.653
   18   1HB   TRP   4          HB2       TRP   4 -20.989  -1.983   1.451
   19   2HB   TRP   4          HB1       TRP   4 -19.616  -3.033   1.121
   20    HD1  TRP   4           HD1      TRP   4 -22.631  -3.931   2.046
   21    HE1  TRP   4           HE1      TRP   4 -22.833  -5.499   4.080
   22    HE3  TRP   4           HE3      TRP   4 -18.093  -3.112   4.267
   23    HZ2  TRP   4           HZ2      TRP   4 -21.287  -6.301   6.345
   24    HZ3  TRP   4           HZ3      TRP   4 -17.492  -4.293   6.356
   25    HH2  TRP   4           HH2      TRP   4 -19.079  -5.884   7.398
   26    H    LEU   5           HN       LEU   5 -18.100  -3.746   1.966
   27    HA   LEU   5           HA       LEU   5 -15.362  -3.146   2.514
   28   1HB   LEU   5          HB2       LEU   5 -16.762  -5.363   2.080
   29   2HB   LEU   5          HB1       LEU   5 -16.178  -5.138   0.431
   30    HG   LEU   5           HG       LEU   5 -13.848  -4.798   1.579
   31   1HD1  LEU   5          HD11      LEU   5 -14.948  -6.681   3.628
   32   2HD1  LEU   5          HD12      LEU   5 -15.203  -4.953   3.870
   33   3HD1  LEU   5          HD13      LEU   5 -13.565  -5.592   3.734
   34   1HD2  LEU   5          HD21      LEU   5 -15.151  -7.540   1.512
   35   2HD2  LEU   5          HD22      LEU   5 -13.424  -7.202   1.398
   36   3HD2  LEU   5          HD23      LEU   5 -14.506  -6.699   0.101
   37    H    ARG   6           HN       ARG   6 -17.331  -2.188  -0.176
   38    HA   ARG   6           HA       ARG   6 -15.374  -2.108  -2.267
   39   1HB   ARG   6          HB2       ARG   6 -18.068  -1.174  -1.700
   40   2HB   ARG   6          HB1       ARG   6 -17.166   0.044  -2.599
   41   1HG   ARG   6          HG2       ARG   6 -18.011  -1.266  -4.332
   42   2HG   ARG   6          HG1       ARG   6 -16.429  -2.004  -4.080
   43   1HD   ARG   6          HD2       ARG   6 -17.326  -3.893  -3.036
   44   2HD   ARG   6          HD1       ARG   6 -18.791  -3.034  -2.521
   45    HE   ARG   6           HE       ARG   6 -19.558  -3.076  -4.870
   46   1HH1  ARG   6          HH21      ARG   6 -19.282  -5.952  -4.227
   47   2HH1  ARG   6          HH22      ARG   6 -18.309  -6.548  -5.530
   48   1HH2  ARG   6          HH11      ARG   6 -17.211  -3.393  -6.495
   49   2HH2  ARG   6          HH12      ARG   6 -17.132  -5.092  -6.820
   50    H    ASP   7           HN       ASP   7 -16.302   0.353   0.178
   51    HA   ASP   7           HA       ASP   7 -14.033   2.063  -0.745
   52   1HB   ASP   7          HB2       ASP   7 -15.188   3.826   0.442
   53   2HB   ASP   7          HB1       ASP   7 -16.388   2.936  -0.493
   54    H    ILE   8           HN       ILE   8 -14.559  -0.336   1.581
   55    HA   ILE   8           HA       ILE   8 -13.213   0.844   3.865
   56    HB   ILE   8           HB       ILE   8 -14.790  -1.241   3.619
   57   1HG1  ILE   8          HG12      ILE   8 -12.360  -1.637   5.367
   58   2HG1  ILE   8          HG11      ILE   8 -13.501  -0.329   5.674
   59   1HG2  ILE   8          HG21      ILE   8 -12.102  -2.615   3.359
   60   2HG2  ILE   8          HG22      ILE   8 -13.165  -2.340   1.980
   61   3HG2  ILE   8          HG23      ILE   8 -13.702  -3.354   3.317
   62   1HD1  ILE   8          HD11      ILE   8 -14.306  -3.240   5.426
   63   2HD1  ILE   8          HD12      ILE   8 -15.333  -1.897   5.925
   64   3HD1  ILE   8          HD13      ILE   8 -14.010  -2.429   6.963
   65    H    TRP   9           HN       TRP   9 -12.081  -0.552   0.873
   66    HA   TRP   9           HA       TRP   9  -9.493  -1.455   1.718
   67   1HB   TRP   9          HB2       TRP   9  -9.426  -2.029  -0.481
   68   2HB   TRP   9          HB1       TRP   9 -11.016  -1.292  -0.648
   69    HD1  TRP   9           HD1      TRP   9  -7.343  -0.724  -1.387
   70    HE1  TRP   9           HE1      TRP   9  -7.083   1.373  -2.863
   71    HE3  TRP   9           HE3      TRP   9 -12.122   1.064  -1.227
   72    HZ2  TRP   9           HZ2      TRP   9  -8.692   3.523  -3.850
   73    HZ3  TRP   9           HZ3      TRP   9 -12.733   3.135  -2.442
   74    HH2  TRP   9           HH2      TRP   9 -11.025   4.368  -3.751
   75    H    ASP  10           HN       ASP  10 -10.726   1.753   0.835
   76    HA   ASP  10           HA       ASP  10  -8.334   3.197   0.469
   77   1HB   ASP  10          HB2       ASP  10 -10.532   4.139   0.087
   78   2HB   ASP  10          HB1       ASP  10 -10.978   3.911   1.777
   79    H    TRP  11           HN       TRP  11  -9.935   2.210   3.489
   80    HA   TRP  11           HA       TRP  11  -8.341   3.649   5.361
   81   1HB   TRP  11          HB2       TRP  11 -10.127   2.645   6.395
   82   2HB   TRP  11          HB1       TRP  11 -10.159   1.315   5.248
   83    HD1  TRP  11           HD1      TRP  11  -7.224   2.221   7.582
   84    HE1  TRP  11           HE1      TRP  11  -6.764   0.209   9.124
   85    HE3  TRP  11           HE3      TRP  11 -11.059  -0.831   6.196
   86    HZ2  TRP  11           HZ2      TRP  11  -7.879  -2.364   9.690
   87    HZ3  TRP  11           HZ3      TRP  11 -11.342  -3.057   7.246
   88    HH2  TRP  11           HH2      TRP  11  -9.757  -3.827   8.991
   89    H    ILE  12           HN       ILE  12  -7.861   0.407   3.912
   90    HA   ILE  12           HA       ILE  12  -5.249   0.059   5.225
   91    HB   ILE  12           HB       ILE  12  -6.628  -1.482   3.003
   92   1HG1  ILE  12          HG12      ILE  12  -6.766  -2.881   5.456
   93   2HG1  ILE  12          HG11      ILE  12  -7.254  -1.224   5.814
   94   1HG2  ILE  12          HG21      ILE  12  -4.439  -2.285   3.002
   95   2HG2  ILE  12          HG22      ILE  12  -5.191  -3.348   4.192
   96   3HG2  ILE  12          HG23      ILE  12  -4.219  -1.976   4.725
   97   1HD1  ILE  12          HD11      ILE  12  -8.915  -3.136   4.757
   98   2HD1  ILE  12          HD12      ILE  12  -8.376  -2.289   3.307
   99   3HD1  ILE  12          HD13      ILE  12  -9.167  -1.398   4.606
  100    H    CYS  13           HN       CYS  13  -6.476   1.235   2.140
  101    HA   CYS  13           HA       CYS  13  -4.202   0.956   0.481
  102   1HB   CYS  13          HB2       CYS  13  -6.567   1.764  -0.047
  103   2HB   CYS  13          HB1       CYS  13  -6.076   3.337   0.582
  104    HG   CYS  13           HG       CYS  13  -5.066   3.768  -1.630
  105    H    GLU  14           HN       GLU  14  -5.026   3.589   2.768
  106    HA   GLU  14           HA       GLU  14  -2.682   5.199   2.233
  107   1HB   GLU  14          HB2       GLU  14  -4.930   5.810   3.324
  108   2HB   GLU  14          HB1       GLU  14  -4.301   5.062   4.793
  109   1HG   GLU  14          HG2       GLU  14  -3.616   7.243   5.145
  110   2HG   GLU  14          HG1       GLU  14  -2.211   6.630   4.273
  111    H    VAL  15           HN       VAL  15  -3.438   2.676   4.642
  112    HA   VAL  15           HA       VAL  15  -0.953   2.913   6.118
  113    HB   VAL  15           HB       VAL  15  -3.027   0.712   5.807
  114   1HG1  VAL  15          HG11      VAL  15  -0.773   0.998   7.820
  115   2HG1  VAL  15          HG12      VAL  15  -0.913  -0.255   6.586
  116   3HG1  VAL  15          HG13      VAL  15  -2.069  -0.196   7.917
  117   1HG2  VAL  15          HG21      VAL  15  -2.553   2.807   7.955
  118   2HG2  VAL  15          HG22      VAL  15  -3.782   1.543   8.025
  119   3HG2  VAL  15          HG23      VAL  15  -3.879   2.800   6.792
  120    H    LEU  16           HN       LEU  16  -1.964   1.105   3.248
  121    HA   LEU  16           HA       LEU  16   0.326  -0.689   3.190
  122   1HB   LEU  16          HB2       LEU  16  -2.046  -0.874   2.141
  123   2HB   LEU  16          HB1       LEU  16  -1.391   0.126   0.844
  124    HG   LEU  16           HG       LEU  16   0.237  -2.225   1.690
  125   1HD1  LEU  16          HD11      LEU  16  -1.999  -3.206   1.634
  126   2HD1  LEU  16          HD12      LEU  16  -1.106  -3.712   0.200
  127   3HD1  LEU  16          HD13      LEU  16  -2.324  -2.442   0.077
  128   1HD2  LEU  16          HD21      LEU  16   1.203  -1.063  -0.088
  129   2HD2  LEU  16          HD22      LEU  16  -0.357  -0.648  -0.798
  130   3HD2  LEU  16          HD23      LEU  16   0.273  -2.287  -0.952
  131    H    SER  17           HN       SER  17  -0.496   2.361   1.474
  132    HA   SER  17           HA       SER  17   1.768   2.467  -0.247
  133   1HB   SER  17          HB2       SER  17   1.279   4.984  -0.101
  134   2HB   SER  17          HB1       SER  17  -0.072   3.958  -0.572
  135    HG   SER  17           HG       SER  17   0.398   5.361   1.796
  136    H    ASP  18           HN       ASP  18   1.383   3.717   3.090
  137    HA   ASP  18           HA       ASP  18   3.998   4.883   3.316
  138   1HB   ASP  18          HB2       ASP  18   1.853   3.869   5.164
  139   2HB   ASP  18          HB1       ASP  18   3.421   4.309   5.843
  140    H    PHE  19           HN       PHE  19   2.795   1.584   3.720
  141    HA   PHE  19           HA       PHE  19   5.310   0.559   4.839
  142   1HB   PHE  19          HB2       PHE  19   2.756  -0.174   5.070
  143   2HB   PHE  19          HB1       PHE  19   3.148  -1.146   3.653
  144    HD1  PHE  19           HD1      PHE  19   4.185  -0.416   7.160
  145    HD2  PHE  19           HD2      PHE  19   4.438  -3.130   3.840
  146    HE1  PHE  19           HE1      PHE  19   5.303  -2.087   8.611
  147    HE2  PHE  19           HE2      PHE  19   5.557  -4.801   5.292
  148    HZ   PHE  19           HZ       PHE  19   5.989  -4.279   7.678
  149    H    LYS  20           HN       LYS  20   4.262   1.368   1.679
  150    HA   LYS  20           HA       LYS  20   6.107  -0.654   0.455
  151   1HB   LYS  20          HB2       LYS  20   3.509  -0.342  -0.034
  152   2HB   LYS  20          HB1       LYS  20   4.099   0.933  -1.102
  153   1HG   LYS  20          HG2       LYS  20   5.210  -0.551  -2.493
  154   2HG   LYS  20          HG1       LYS  20   5.449  -1.737  -1.211
  155   1HD   LYS  20          HD2       LYS  20   3.797  -2.743  -2.545
  156   2HD   LYS  20          HD1       LYS  20   2.856  -1.980  -1.263
  157   1HE   LYS  20          HE2       LYS  20   1.719  -1.302  -3.226
  158   2HE   LYS  20          HE1       LYS  20   2.782   0.080  -2.898
  159   1HZ   LYS  20          HZ1       LYS  20   2.981  -0.692  -5.206
  160   2HZ   LYS  20          HZ2       LYS  20   3.465  -2.224  -4.655
  161   3HZ   LYS  20          HZ3       LYS  20   4.441  -0.863  -4.362
  162    H    THR  21           HN       THR  21   6.386   2.392   1.519
  163    HA   THR  21           HA       THR  21   7.859   3.362  -0.912
  164    HB   THR  21           HB       THR  21   6.314   4.732   1.302
  165    HG1  THR  21           HG1      THR  21   6.307   4.987  -1.526
  166   1HG2  THR  21          HG21      THR  21   7.179   6.867   0.021
  167   2HG2  THR  21          HG22      THR  21   8.538   5.823  -0.396
  168   3HG2  THR  21          HG23      THR  21   8.165   6.149   1.296
  169    H    TRP  22           HN       TRP  22   7.878   3.637   2.666
  170    HA   TRP  22           HA       TRP  22  10.713   4.278   2.795
  171   1HB   TRP  22          HB2       TRP  22   9.228   5.074   4.505
  172   2HB   TRP  22          HB1       TRP  22   8.561   3.465   4.771
  173    HD1  TRP  22           HD1      TRP  22  11.695   5.562   5.438
  174    HE1  TRP  22           HE1      TRP  22  13.050   4.437   7.320
  175    HE3  TRP  22           HE3      TRP  22   9.039   1.237   5.975
  176    HZ2  TRP  22           HZ2      TRP  22  13.014   2.018   8.852
  177    HZ3  TRP  22           HZ3      TRP  22   9.717  -0.458   7.649
  178    HH2  TRP  22           HH2      TRP  22  11.698  -0.076   9.085
  179    H    LEU  23           HN       LEU  23   8.763   1.326   3.257
  180    HA   LEU  23           HA       LEU  23  11.000  -0.348   4.069
  181   1HB   LEU  23          HB2       LEU  23   8.115  -0.532   3.559
  182   2HB   LEU  23          HB1       LEU  23   8.988  -1.993   3.096
  183    HG   LEU  23           HG       LEU  23   9.909  -0.931   5.654
  184   1HD1  LEU  23          HD11      LEU  23   7.751  -1.819   6.798
  185   2HD1  LEU  23          HD12      LEU  23   6.984  -1.526   5.237
  186   3HD1  LEU  23          HD13      LEU  23   7.721  -0.191   6.121
  187   1HD2  LEU  23          HD21      LEU  23  10.326  -3.216   4.663
  188   2HD2  LEU  23          HD22      LEU  23   8.624  -3.583   4.946
  189   3HD2  LEU  23          HD23      LEU  23   9.692  -3.248   6.308
  190    H    LYS  24           HN       LYS  24   9.339   0.292   0.974
  191    HA   LYS  24           HA       LYS  24  10.664  -1.751  -0.564
  192   1HB   LYS  24          HB2       LYS  24   8.564  -0.292  -1.034
  193   2HB   LYS  24          HB1       LYS  24   9.711   0.915  -1.618
  194   1HG   LYS  24          HG2       LYS  24   9.398  -0.206  -3.597
  195   2HG   LYS  24          HG1       LYS  24  10.661  -1.241  -2.928
  196   1HD   LYS  24          HD2       LYS  24   8.725  -2.570  -1.841
  197   2HD   LYS  24          HD1       LYS  24   7.680  -1.713  -2.976
  198   1HE   LYS  24          HE2       LYS  24   9.219  -2.521  -4.841
  199   2HE   LYS  24          HE1       LYS  24   9.982  -3.578  -3.636
  200   1HZ   LYS  24          HZ1       LYS  24   7.102  -3.507  -4.374
  201   2HZ   LYS  24          HZ2       LYS  24   7.730  -4.399  -3.070
  202   3HZ   LYS  24          HZ3       LYS  24   8.190  -4.775  -4.661
  203    H    ALA  25           HN       ALA  25  11.493   1.654   0.130
  204    HA   ALA  25           HA       ALA  25  13.699   1.902  -1.677
  205   1HB   ALA  25          HB1       ALA  25  13.199   3.167   1.039
  206   2HB   ALA  25          HB2       ALA  25  12.548   3.752  -0.493
  207   3HB   ALA  25          HB3       ALA  25  14.287   3.796  -0.198
  208    H    LYS  26           HN       LYS  26  13.521   0.720   1.683
  209    HA   LYS  26           HA       LYS  26  16.435   0.186   1.746
  210   1HB   LYS  26          HB2       LYS  26  14.166   0.457   3.603
  211   2HB   LYS  26          HB1       LYS  26  15.292  -0.825   4.049
  212   1HG   LYS  26          HG2       LYS  26  16.391   0.923   5.049
  213   2HG   LYS  26          HG1       LYS  26  17.072   1.098   3.432
  214   1HD   LYS  26          HD2       LYS  26  15.610   2.869   2.877
  215   2HD   LYS  26          HD1       LYS  26  14.506   2.488   4.199
  216   1HE   LYS  26          HE2       LYS  26  17.349   3.260   4.836
  217   2HE   LYS  26          HE1       LYS  26  16.153   4.520   4.478
  218   1HZ   LYS  26          HZ1       LYS  26  16.000   2.418   6.571
  219   2HZ   LYS  26          HZ2       LYS  26  14.652   3.333   6.087
  220   3HZ   LYS  26          HZ3       LYS  26  15.996   4.101   6.789
  221    H    LEU  27           HN       LEU  27  13.529  -1.508   0.929
  222    HA   LEU  27           HA       LEU  27  13.116  -3.753   0.377
  223   1HB   LEU  27          HB2       LEU  27  15.804  -3.072  -0.331
  224   2HB   LEU  27          HB1       LEU  27  15.818  -4.723   0.287
  225    HG   LEU  27           HG       LEU  27  13.733  -5.064  -1.241
  226   1HD1  LEU  27          HD11      LEU  27  14.883  -2.454  -2.201
  227   2HD1  LEU  27          HD12      LEU  27  13.193  -2.907  -1.983
  228   3HD1  LEU  27          HD13      LEU  27  14.108  -3.551  -3.345
  229   1HD2  LEU  27          HD21      LEU  27  15.939  -6.112  -1.613
  230   2HD2  LEU  27          HD22      LEU  27  16.496  -4.650  -2.429
  231   3HD2  LEU  27          HD23      LEU  27  15.208  -5.623  -3.141
  232    H    MET  28           HN       MET  28  12.480  -3.633   2.824
  233    HA   MET  28           HA       MET  28  12.376  -4.704   4.919
  234   1HB   MET  28          HB2       MET  28  13.711  -6.693   3.080
  235   2HB   MET  28          HB1       MET  28  13.401  -7.096   4.767
  236   1HG   MET  28          HG2       MET  28  11.054  -6.867   4.508
  237   2HG   MET  28          HG1       MET  28  11.226  -6.008   2.977
  238   1HE   MET  28          HE1       MET  28  10.796  -9.539   4.659
  239   2HE   MET  28          HE2       MET  28  12.483  -9.051   4.802
  240   3HE   MET  28          HE3       MET  28  12.055 -10.437   3.802
  241    HA   PRO  29           HA       PRO  29  16.738  -3.416   5.879
  242   1HB   PRO  29          HB2       PRO  29  16.077  -1.368   7.570
  243   2HB   PRO  29          HB1       PRO  29  16.233  -1.159   5.816
  244   1HG   PRO  29          HG2       PRO  29  13.786  -1.431   7.478
  245   2HG   PRO  29          HG1       PRO  29  14.072  -0.434   6.044
  246   1HD   PRO  29          HD2       PRO  29  12.695  -2.809   6.027
  247   2HD   PRO  29          HD1       PRO  29  13.516  -2.118   4.612
  248    H    GLN  30           HN       GLN  30  16.210  -5.659   6.952
  249    HA   GLN  30           HA       GLN  30  16.382  -7.000   8.870
  250   1HB   GLN  30          HB2       GLN  30  17.896  -6.061  10.257
  251   2HB   GLN  30          HB1       GLN  30  17.682  -4.554   9.378
  252   1HG   GLN  30          HG2       GLN  30  17.126  -3.765  11.452
  253   2HG   GLN  30          HG1       GLN  30  15.542  -4.415  11.042
  254   1HE2  GLN  30          HE21      GLN  30  14.889  -5.153  13.128
  255   2HE2  GLN  30          HE22      GLN  30  15.733  -6.337  14.000
  256    H    LEU  31           HN       LEU  31  15.115  -7.622  10.789
  257    HA   LEU  31           HA       LEU  31  12.629  -6.037  11.260
  258   1HB   LEU  31          HB2       LEU  31  12.708  -8.081   9.461
  259   2HB   LEU  31          HB1       LEU  31  12.329  -8.977  10.930
  260    HG   LEU  31           HG       LEU  31  10.259  -8.295   9.808
  261   1HD1  LEU  31          HD11      LEU  31   9.151  -7.438  11.696
  262   2HD1  LEU  31          HD12      LEU  31  10.532  -6.451  12.176
  263   3HD1  LEU  31          HD13      LEU  31  10.581  -8.202  12.389
  264   1HD2  LEU  31          HD21      LEU  31  10.909  -5.406  10.317
  265   2HD2  LEU  31          HD22      LEU  31   9.773  -6.106   9.164
  266   3HD2  LEU  31          HD23      LEU  31  11.507  -6.180   8.849
  Start of MODEL   12
    1   1H    SER   1           HT1      SER   1 -24.659   0.641  12.939
    2   2H    SER   1           HT2      SER   1 -24.356  -0.465  11.685
    3   3H    SER   1           HT3      SER   1 -25.924   0.143  11.923
    4    HA   SER   1           HA       SER   1 -24.920   1.257  10.034
    5   1HB   SER   1          HB2       SER   1 -25.181   3.573  11.004
    6   2HB   SER   1          HB1       SER   1 -26.483   2.471  11.443
    7    HG   SER   1           HG       SER   1 -24.388   3.507  12.989
    8    H    GLY   2           HN       GLY   2 -23.166   2.585   9.226
    9   1HA   GLY   2          HA2       GLY   2 -21.007   3.621   9.340
   10   2HA   GLY   2          HA1       GLY   2 -20.795   2.953  10.958
   11    H    SER   3           HN       SER   3 -20.943   2.001   7.525
   12    HA   SER   3           HA       SER   3 -18.984  -0.183   8.149
   13   1HB   SER   3          HB2       SER   3 -21.646  -0.544   7.567
   14   2HB   SER   3          HB1       SER   3 -20.920  -0.658   5.966
   15    HG   SER   3           HG       SER   3 -20.990  -2.509   7.813
   16    H    TRP   4           HN       TRP   4 -20.542   1.498   5.378
   17    HA   TRP   4           HA       TRP   4 -19.635   1.894   3.204
   18   1HB   TRP   4          HB2       TRP   4 -17.670   3.635   3.675
   19   2HB   TRP   4          HB1       TRP   4 -19.345   4.017   4.034
   20    HD1  TRP   4           HD1      TRP   4 -20.087   4.097   6.578
   21    HE1  TRP   4           HE1      TRP   4 -18.740   4.295   8.766
   22    HE3  TRP   4           HE3      TRP   4 -15.416   2.959   4.849
   23    HZ2  TRP   4           HZ2      TRP   4 -16.041   4.009   9.664
   24    HZ3  TRP   4           HZ3      TRP   4 -13.479   2.932   6.390
   25    HH2  TRP   4           HH2      TRP   4 -13.784   3.455   8.794
   26    H    LEU   5           HN       LEU   5 -18.842  -0.527   3.320
   27    HA   LEU   5           HA       LEU   5 -16.075  -1.141   3.700
   28   1HB   LEU   5          HB2       LEU   5 -16.661  -3.171   2.389
   29   2HB   LEU   5          HB1       LEU   5 -17.873  -2.804   3.612
   30    HG   LEU   5           HG       LEU   5 -18.705  -1.374   1.347
   31   1HD1  LEU   5          HD11      LEU   5 -17.960  -4.206   0.565
   32   2HD1  LEU   5          HD12      LEU   5 -17.056  -2.778   0.061
   33   3HD1  LEU   5          HD13      LEU   5 -18.729  -2.990  -0.455
   34   1HD2  LEU   5          HD21      LEU   5 -20.143  -2.524   2.987
   35   2HD2  LEU   5          HD22      LEU   5 -19.590  -4.086   2.385
   36   3HD2  LEU   5          HD23      LEU   5 -20.547  -3.031   1.346
   37    H    ARG   6           HN       ARG   6 -17.737   0.374   0.997
   38    HA   ARG   6           HA       ARG   6 -15.823  -0.162  -1.072
   39   1HB   ARG   6          HB2       ARG   6 -16.958   1.694  -2.195
   40   2HB   ARG   6          HB1       ARG   6 -18.149   0.711  -1.346
   41   1HG   ARG   6          HG2       ARG   6 -17.509   2.491   0.612
   42   2HG   ARG   6          HG1       ARG   6 -17.275   3.496  -0.817
   43   1HD   ARG   6          HD2       ARG   6 -19.753   1.823  -0.733
   44   2HD   ARG   6          HD1       ARG   6 -19.689   3.247   0.325
   45    HE   ARG   6           HE       ARG   6 -18.781   3.742  -2.427
   46   1HH1  ARG   6          HH11      ARG   6 -21.581   2.921  -2.795
   47   2HH1  ARG   6          HH12      ARG   6 -22.463   4.386  -2.527
   48   1HH2  ARG   6          HH21      ARG   6 -19.819   5.990  -0.937
   49   2HH2  ARG   6          HH22      ARG   6 -21.461   6.133  -1.469
   50    H    ASP   7           HN       ASP   7 -15.761   2.074   1.639
   51    HA   ASP   7           HA       ASP   7 -13.388   3.472   0.471
   52   1HB   ASP   7          HB2       ASP   7 -15.628   4.535   1.445
   53   2HB   ASP   7          HB1       ASP   7 -14.786   4.323   2.981
   54    H    ILE   8           HN       ILE   8 -14.470   1.554   3.285
   55    HA   ILE   8           HA       ILE   8 -12.169   1.930   4.935
   56    HB   ILE   8           HB       ILE   8 -14.462   0.816   5.403
   57   1HG1  ILE   8          HG12      ILE   8 -12.109  -0.765   6.439
   58   2HG1  ILE   8          HG11      ILE   8 -12.340   0.923   6.893
   59   1HG2  ILE   8          HG21      ILE   8 -14.176  -0.874   3.534
   60   2HG2  ILE   8          HG22      ILE   8 -14.618  -1.566   5.093
   61   3HG2  ILE   8          HG23      ILE   8 -12.950  -1.660   4.528
   62   1HD1  ILE   8          HD11      ILE   8 -13.417  -0.377   8.591
   63   2HD1  ILE   8          HD12      ILE   8 -14.217  -1.396   7.394
   64   3HD1  ILE   8          HD13      ILE   8 -14.706   0.288   7.587
   65    H    TRP   9           HN       TRP   9 -12.733  -0.255   2.189
   66    HA   TRP   9           HA       TRP   9 -10.322  -1.830   2.541
   67   1HB   TRP   9          HB2       TRP   9 -12.170  -1.220   0.214
   68   2HB   TRP   9          HB1       TRP   9 -10.816  -2.341   0.078
   69    HD1  TRP   9           HD1      TRP   9 -11.514  -3.176   3.339
   70    HE1  TRP   9           HE1      TRP   9 -13.311  -5.002   3.624
   71    HE3  TRP   9           HE3      TRP   9 -13.729  -2.964  -1.259
   72    HZ2  TRP   9           HZ2      TRP   9 -15.406  -6.215   2.104
   73    HZ3  TRP   9           HZ3      TRP   9 -15.619  -4.466  -1.813
   74    HH2  TRP   9           HH2      TRP   9 -16.460  -6.089  -0.138
   75    H    ASP  10           HN       ASP  10 -11.136   1.125   0.730
   76    HA   ASP  10           HA       ASP  10  -8.666   1.433  -0.687
   77   1HB   ASP  10          HB2       ASP  10 -11.056   2.651  -0.704
   78   2HB   ASP  10          HB1       ASP  10 -10.197   3.798   0.327
   79    H    TRP  11           HN       TRP  11  -9.704   2.534   2.557
   80    HA   TRP  11           HA       TRP  11  -7.356   4.081   3.151
   81   1HB   TRP  11          HB2       TRP  11  -8.692   4.554   4.915
   82   2HB   TRP  11          HB1       TRP  11  -9.828   3.343   4.342
   83    HD1  TRP  11           HD1      TRP  11 -10.347   1.524   6.012
   84    HE1  TRP  11           HE1      TRP  11  -9.182   0.494   8.066
   85    HE3  TRP  11           HE3      TRP  11  -5.938   4.104   5.920
   86    HZ2  TRP  11           HZ2      TRP  11  -6.712   0.729   9.483
   87    HZ3  TRP  11           HZ3      TRP  11  -4.201   3.676   7.633
   88    HH2  TRP  11           HH2      TRP  11  -4.582   1.996   9.413
   89    H    ILE  12           HN       ILE  12  -8.155   0.638   3.705
   90    HA   ILE  12           HA       ILE  12  -5.730  -0.005   5.141
   91    HB   ILE  12           HB       ILE  12  -7.893  -1.496   3.659
   92   1HG1  ILE  12          HG12      ILE  12  -8.398  -0.667   5.896
   93   2HG1  ILE  12          HG11      ILE  12  -8.255  -2.423   5.955
   94   1HG2  ILE  12          HG21      ILE  12  -5.296  -2.615   4.715
   95   2HG2  ILE  12          HG22      ILE  12  -6.077  -2.929   3.165
   96   3HG2  ILE  12          HG23      ILE  12  -6.757  -3.602   4.647
   97   1HD1  ILE  12          HD11      ILE  12  -7.006  -1.621   7.825
   98   2HD1  ILE  12          HD12      ILE  12  -6.232  -0.363   6.863
   99   3HD1  ILE  12          HD13      ILE  12  -5.804  -2.055   6.610
  100    H    CYS  13           HN       CYS  13  -6.511   0.266   1.712
  101    HA   CYS  13           HA       CYS  13  -4.123  -1.136   0.783
  102   1HB   CYS  13          HB2       CYS  13  -6.446  -0.670  -0.349
  103   2HB   CYS  13          HB1       CYS  13  -5.721   0.876  -0.793
  104    HG   CYS  13           HG       CYS  13  -5.164  -1.704  -2.188
  105    H    GLU  14           HN       GLU  14  -5.061   2.253   1.349
  106    HA   GLU  14           HA       GLU  14  -2.746   3.503   0.198
  107   1HB   GLU  14          HB2       GLU  14  -5.114   4.331   1.145
  108   2HB   GLU  14          HB1       GLU  14  -4.144   4.649   2.585
  109   1HG   GLU  14          HG2       GLU  14  -3.156   5.567  -0.102
  110   2HG   GLU  14          HG1       GLU  14  -4.378   6.514   0.748
  111    H    VAL  15           HN       VAL  15  -3.495   2.656   3.613
  112    HA   VAL  15           HA       VAL  15  -0.981   3.465   4.716
  113    HB   VAL  15           HB       VAL  15  -3.133   2.986   5.925
  114   1HG1  VAL  15          HG11      VAL  15  -2.334   0.085   5.547
  115   2HG1  VAL  15          HG12      VAL  15  -3.662   0.878   4.700
  116   3HG1  VAL  15          HG13      VAL  15  -3.726   0.681   6.450
  117   1HG2  VAL  15          HG21      VAL  15  -0.823   1.309   6.945
  118   2HG2  VAL  15          HG22      VAL  15  -2.086   2.079   7.906
  119   3HG2  VAL  15          HG23      VAL  15  -0.888   3.067   7.070
  120    H    LEU  16           HN       LEU  16  -1.978   0.476   3.096
  121    HA   LEU  16           HA       LEU  16   0.296  -1.133   3.883
  122   1HB   LEU  16          HB2       LEU  16  -1.898  -1.967   3.015
  123   2HB   LEU  16          HB1       LEU  16  -1.504  -1.284   1.437
  124    HG   LEU  16           HG       LEU  16   0.705  -2.705   1.704
  125   1HD1  LEU  16          HD11      LEU  16   0.302  -3.438   3.995
  126   2HD1  LEU  16          HD12      LEU  16   0.226  -4.835   2.923
  127   3HD1  LEU  16          HD13      LEU  16  -1.262  -4.113   3.537
  128   1HD2  LEU  16          HD21      LEU  16  -0.347  -4.494   0.468
  129   2HD2  LEU  16          HD22      LEU  16  -1.158  -2.995   0.017
  130   3HD2  LEU  16          HD23      LEU  16  -1.926  -4.108   1.150
  131    H    SER  17           HN       SER  17  -0.409   0.874   0.991
  132    HA   SER  17           HA       SER  17   2.047   0.305  -0.401
  133   1HB   SER  17          HB2       SER  17  -0.210   1.462  -1.115
  134   2HB   SER  17          HB1       SER  17   0.578   2.935  -0.555
  135    HG   SER  17           HG       SER  17   1.524   2.915  -2.432
  136    H    ASP  18           HN       ASP  18   1.138   2.763   2.009
  137    HA   ASP  18           HA       ASP  18   3.518   4.352   1.915
  138   1HB   ASP  18          HB2       ASP  18   1.728   5.276   3.104
  139   2HB   ASP  18          HB1       ASP  18   1.312   3.743   3.864
  140    H    PHE  19           HN       PHE  19   2.667   1.410   3.738
  141    HA   PHE  19           HA       PHE  19   5.082   1.214   5.293
  142   1HB   PHE  19          HB2       PHE  19   2.755   0.048   5.469
  143   2HB   PHE  19          HB1       PHE  19   3.414  -1.105   4.309
  144    HD1  PHE  19           HD1      PHE  19   5.075  -2.715   4.947
  145    HD2  PHE  19           HD2      PHE  19   3.863   0.361   7.691
  146    HE1  PHE  19           HE1      PHE  19   6.269  -3.881   6.781
  147    HE2  PHE  19           HE2      PHE  19   5.058  -0.805   9.525
  148    HZ   PHE  19           HZ       PHE  19   6.262  -2.925   9.070
  149    H    LYS  20           HN       LYS  20   4.148  -0.035   2.079
  150    HA   LYS  20           HA       LYS  20   6.593  -1.568   1.676
  151   1HB   LYS  20          HB2       LYS  20   4.238  -1.791   0.611
  152   2HB   LYS  20          HB1       LYS  20   4.743  -0.479  -0.455
  153   1HG   LYS  20          HG2       LYS  20   6.712  -1.806  -1.149
  154   2HG   LYS  20          HG1       LYS  20   6.185  -3.125  -0.103
  155   1HD   LYS  20          HD2       LYS  20   4.886  -3.895  -1.770
  156   2HD   LYS  20          HD1       LYS  20   3.949  -2.404  -1.700
  157   1HE   LYS  20          HE2       LYS  20   4.689  -2.283  -3.902
  158   2HE   LYS  20          HE1       LYS  20   6.054  -1.480  -3.103
  159   1HZ   LYS  20          HZ1       LYS  20   6.899  -3.246  -4.476
  160   2HZ   LYS  20          HZ2       LYS  20   5.841  -4.372  -3.769
  161   3HZ   LYS  20          HZ3       LYS  20   7.098  -3.689  -2.851
  162    H    THR  21           HN       THR  21   5.440   1.659   0.642
  163    HA   THR  21           HA       THR  21   7.724   2.335  -0.976
  164    HB   THR  21           HB       THR  21   5.752   4.050   0.581
  165    HG1  THR  21           HG1      THR  21   4.492   3.156  -0.850
  166   1HG2  THR  21          HG21      THR  21   7.954   4.679  -1.311
  167   2HG2  THR  21          HG22      THR  21   7.245   5.670  -0.034
  168   3HG2  THR  21          HG23      THR  21   6.429   5.519  -1.590
  169    H    TRP  22           HN       TRP  22   6.975   2.828   2.481
  170    HA   TRP  22           HA       TRP  22   9.258   4.432   3.146
  171   1HB   TRP  22          HB2       TRP  22   7.199   4.083   4.517
  172   2HB   TRP  22          HB1       TRP  22   7.699   2.418   4.807
  173    HD1  TRP  22           HD1      TRP  22   8.280   5.949   5.949
  174    HE1  TRP  22           HE1      TRP  22   9.983   5.965   7.885
  175    HE3  TRP  22           HE3      TRP  22   9.901   1.115   5.738
  176    HZ2  TRP  22           HZ2      TRP  22  11.795   4.160   9.175
  177    HZ3  TRP  22           HZ3      TRP  22  11.610   0.288   7.326
  178    HH2  TRP  22           HH2      TRP  22  12.558   1.801   9.042
  179    H    LEU  23           HN       LEU  23   8.749   0.881   3.258
  180    HA   LEU  23           HA       LEU  23  11.334   0.196   4.289
  181   1HB   LEU  23          HB2       LEU  23   8.964  -1.080   3.219
  182   2HB   LEU  23          HB1       LEU  23  10.403  -1.863   2.571
  183    HG   LEU  23           HG       LEU  23   9.907  -3.006   4.606
  184   1HD1  LEU  23          HD11      LEU  23  11.899  -1.105   5.742
  185   2HD1  LEU  23          HD12      LEU  23  12.317  -1.876   4.212
  186   3HD1  LEU  23          HD13      LEU  23  11.958  -2.863   5.629
  187   1HD2  LEU  23          HD21      LEU  23   8.748  -2.025   6.266
  188   2HD2  LEU  23          HD22      LEU  23   8.803  -0.509   5.367
  189   3HD2  LEU  23          HD23      LEU  23  10.058  -0.881   6.549
  190    H    LYS  24           HN       LYS  24  10.143   0.575   0.940
  191    HA   LYS  24           HA       LYS  24  12.656  -0.219  -0.297
  192   1HB   LYS  24          HB2       LYS  24  10.196  -0.160  -1.188
  193   2HB   LYS  24          HB1       LYS  24  10.540   1.535  -1.542
  194   1HG   LYS  24          HG2       LYS  24  12.746   0.477  -2.617
  195   2HG   LYS  24          HG1       LYS  24  11.695  -0.932  -2.771
  196   1HD   LYS  24          HD2       LYS  24  10.205   0.166  -4.197
  197   2HD   LYS  24          HD1       LYS  24  10.689   1.765  -3.634
  198   1HE   LYS  24          HE2       LYS  24  11.650   1.513  -5.829
  199   2HE   LYS  24          HE1       LYS  24  12.988   1.273  -4.688
  200   1HZ   LYS  24          HZ1       LYS  24  11.299  -0.942  -5.728
  201   2HZ   LYS  24          HZ2       LYS  24  12.731  -1.074  -4.821
  202   3HZ   LYS  24          HZ3       LYS  24  12.782  -0.499  -6.419
  203    H    ALA  25           HN       ALA  25  11.253   2.845   0.802
  204    HA   ALA  25           HA       ALA  25  13.156   4.588  -0.522
  205   1HB   ALA  25          HB1       ALA  25  11.403   4.915   1.940
  206   2HB   ALA  25          HB2       ALA  25  10.952   5.321   0.285
  207   3HB   ALA  25          HB3       ALA  25  12.215   6.239   1.105
  208    H    LYS  26           HN       LYS  26  12.928   3.222   2.777
  209    HA   LYS  26           HA       LYS  26  15.520   4.353   3.588
  210   1HB   LYS  26          HB2       LYS  26  13.180   3.300   4.798
  211   2HB   LYS  26          HB1       LYS  26  14.498   2.225   5.268
  212   1HG   LYS  26          HG2       LYS  26  14.972   5.177   5.404
  213   2HG   LYS  26          HG1       LYS  26  13.970   4.437   6.652
  214   1HD   LYS  26          HD2       LYS  26  15.717   3.255   7.551
  215   2HD   LYS  26          HD1       LYS  26  16.505   3.027   5.990
  216   1HE   LYS  26          HE2       LYS  26  17.567   5.113   6.069
  217   2HE   LYS  26          HE1       LYS  26  16.373   5.788   7.195
  218   1HZ   LYS  26          HZ1       LYS  26  18.470   5.199   8.312
  219   2HZ   LYS  26          HZ2       LYS  26  18.262   3.581   7.840
  220   3HZ   LYS  26          HZ3       LYS  26  17.158   4.306   8.911
  221    H    LEU  27           HN       LEU  27  14.300   1.370   2.216
  222    HA   LEU  27           HA       LEU  27  15.394  -0.534   1.400
  223   1HB   LEU  27          HB2       LEU  27  17.061   1.639   1.005
  224   2HB   LEU  27          HB1       LEU  27  18.108   0.497   1.847
  225    HG   LEU  27           HG       LEU  27  16.774  -1.115   0.033
  226   1HD1  LEU  27          HD11      LEU  27  15.900   1.012  -1.015
  227   2HD1  LEU  27          HD12      LEU  27  16.837  -0.006  -2.107
  228   3HD1  LEU  27          HD13      LEU  27  17.569   1.434  -1.398
  229   1HD2  LEU  27          HD21      LEU  27  18.970  -1.018  -1.217
  230   2HD2  LEU  27          HD22      LEU  27  19.134  -1.299   0.517
  231   3HD2  LEU  27          HD23      LEU  27  19.447   0.304  -0.149
  232    H    MET  28           HN       MET  28  14.962  -2.030   3.027
  233    HA   MET  28           HA       MET  28  16.994  -2.236   5.233
  234   1HB   MET  28          HB2       MET  28  14.394  -1.693   5.544
  235   2HB   MET  28          HB1       MET  28  14.260  -3.447   5.417
  236   1HG   MET  28          HG2       MET  28  14.544  -3.037   7.737
  237   2HG   MET  28          HG1       MET  28  16.138  -3.545   7.177
  238   1HE   MET  28          HE1       MET  28  17.231  -2.489   9.347
  239   2HE   MET  28          HE2       MET  28  15.581  -2.115   9.839
  240   3HE   MET  28          HE3       MET  28  16.825  -0.872   9.937
  241    HA   PRO  29           HA       PRO  29  17.217  -6.037   2.564
  242   1HB   PRO  29          HB2       PRO  29  19.943  -6.059   2.319
  243   2HB   PRO  29          HB1       PRO  29  18.881  -5.158   1.218
  244   1HG   PRO  29          HG2       PRO  29  20.512  -4.176   3.500
  245   2HG   PRO  29          HG1       PRO  29  20.172  -3.410   1.940
  246   1HD   PRO  29          HD2       PRO  29  18.924  -2.741   4.288
  247   2HD   PRO  29          HD1       PRO  29  18.219  -2.492   2.676
  248    H    GLN  30           HN       GLN  30  18.487  -8.097   3.129
  249    HA   GLN  30           HA       GLN  30  18.243  -8.776   5.876
  250   1HB   GLN  30          HB2       GLN  30  19.526 -10.802   5.187
  251   2HB   GLN  30          HB1       GLN  30  18.262 -10.394   4.029
  252   1HG   GLN  30          HG2       GLN  30  20.413  -8.952   3.070
  253   2HG   GLN  30          HG1       GLN  30  21.185 -10.414   3.683
  254   1HE2  GLN  30          HE21      GLN  30  18.987  -9.166   1.224
  255   2HE2  GLN  30          HE22      GLN  30  18.830 -10.622   0.365
  256    H    LEU  31           HN       LEU  31  19.552  -8.357   7.611
  257    HA   LEU  31           HA       LEU  31  22.393  -7.536   7.091
  258   1HB   LEU  31          HB2       LEU  31  20.198  -6.070   8.138
  259   2HB   LEU  31          HB1       LEU  31  21.262  -6.406   9.501
  260    HG   LEU  31           HG       LEU  31  21.938  -4.307   8.469
  261   1HD1  LEU  31          HD11      LEU  31  24.218  -4.741   8.360
  262   2HD1  LEU  31          HD12      LEU  31  23.999  -6.231   7.442
  263   3HD1  LEU  31          HD13      LEU  31  23.645  -6.200   9.169
  264   1HD2  LEU  31          HD21      LEU  31  22.566  -4.148   6.135
  265   2HD2  LEU  31          HD22      LEU  31  20.955  -4.863   6.213
  266   3HD2  LEU  31          HD23      LEU  31  22.360  -5.886   5.913
  Start of MODEL   13
    1   1H    SER   1           HT1      SER   1 -23.278  -0.999  13.121
    2   2H    SER   1           HT2      SER   1 -24.277  -2.340  13.423
    3   3H    SER   1           HT3      SER   1 -24.812  -1.092  12.401
    4    HA   SER   1           HA       SER   1 -22.554  -2.957  11.847
    5   1HB   SER   1          HB2       SER   1 -24.846  -3.909  11.757
    6   2HB   SER   1          HB1       SER   1 -25.333  -2.616  10.664
    7    HG   SER   1           HG       SER   1 -24.639  -4.697   9.705
    8    H    GLY   2           HN       GLY   2 -21.377  -2.451   9.956
    9   1HA   GLY   2          HA2       GLY   2 -21.477   0.340   9.081
   10   2HA   GLY   2          HA1       GLY   2 -20.335  -0.881   8.520
   11    H    SER   3           HN       SER   3 -22.177   1.083   7.058
   12    HA   SER   3           HA       SER   3 -23.742  -0.887   5.428
   13   1HB   SER   3          HB2       SER   3 -24.324   1.621   6.591
   14   2HB   SER   3          HB1       SER   3 -24.224   1.914   4.856
   15    HG   SER   3           HG       SER   3 -26.066   0.495   6.318
   16    H    TRP   4           HN       TRP   4 -20.745  -0.210   5.215
   17    HA   TRP   4           HA       TRP   4 -20.701   0.057   2.289
   18   1HB   TRP   4          HB2       TRP   4 -19.190   2.078   2.416
   19   2HB   TRP   4          HB1       TRP   4 -20.843   2.390   2.933
   20    HD1  TRP   4           HD1      TRP   4 -21.280   2.649   5.577
   21    HE1  TRP   4           HE1      TRP   4 -19.704   3.364   7.488
   22    HE3  TRP   4           HE3      TRP   4 -16.762   2.020   3.280
   23    HZ2  TRP   4           HZ2      TRP   4 -16.900   3.635   7.977
   24    HZ3  TRP   4           HZ3      TRP   4 -14.658   2.517   4.490
   25    HH2  TRP   4           HH2      TRP   4 -14.721   3.322   6.833
   26    H    LEU   5           HN       LEU   5 -19.028  -1.176   1.526
   27    HA   LEU   5           HA       LEU   5 -16.721  -1.740   3.361
   28   1HB   LEU   5          HB2       LEU   5 -18.784  -3.461   2.553
   29   2HB   LEU   5          HB1       LEU   5 -17.421  -3.899   1.523
   30    HG   LEU   5           HG       LEU   5 -16.963  -3.498   4.464
   31   1HD1  LEU   5          HD11      LEU   5 -17.968  -6.066   3.199
   32   2HD1  LEU   5          HD12      LEU   5 -18.933  -5.015   4.236
   33   3HD1  LEU   5          HD13      LEU   5 -17.517  -5.838   4.889
   34   1HD2  LEU   5          HD21      LEU   5 -15.218  -5.195   4.028
   35   2HD2  LEU   5          HD22      LEU   5 -15.057  -3.830   2.922
   36   3HD2  LEU   5          HD23      LEU   5 -15.775  -5.340   2.361
   37    H    ARG   6           HN       ARG   6 -17.353  -0.070   0.709
   38    HA   ARG   6           HA       ARG   6 -15.250  -1.218  -1.055
   39   1HB   ARG   6          HB2       ARG   6 -17.662   0.357  -1.326
   40   2HB   ARG   6          HB1       ARG   6 -16.309   1.221  -2.054
   41   1HG   ARG   6          HG2       ARG   6 -17.032  -0.126  -3.823
   42   2HG   ARG   6          HG1       ARG   6 -15.738  -1.099  -3.126
   43   1HD   ARG   6          HD2       ARG   6 -17.210  -2.651  -2.209
   44   2HD   ARG   6          HD1       ARG   6 -18.529  -1.470  -2.072
   45    HE   ARG   6           HE       ARG   6 -17.669  -2.786  -4.613
   46   1HH1  ARG   6          HH11      ARG   6 -20.372  -3.372  -3.645
   47   2HH1  ARG   6          HH12      ARG   6 -21.358  -2.214  -4.472
   48   1HH2  ARG   6          HH21      ARG   6 -18.685  -0.159  -5.322
   49   2HH2  ARG   6          HH22      ARG   6 -20.399  -0.387  -5.426
   50    H    ASP   7           HN       ASP   7 -16.039   1.787   0.709
   51    HA   ASP   7           HA       ASP   7 -13.541   3.125   0.091
   52   1HB   ASP   7          HB2       ASP   7 -15.705   3.514   2.183
   53   2HB   ASP   7          HB1       ASP   7 -14.374   4.645   1.944
   54    H    ILE   8           HN       ILE   8 -14.580   0.870   2.620
   55    HA   ILE   8           HA       ILE   8 -12.542   1.422   4.558
   56    HB   ILE   8           HB       ILE   8 -14.668  -0.003   4.733
   57   1HG1  ILE   8          HG12      ILE   8 -12.213  -1.455   5.728
   58   2HG1  ILE   8          HG11      ILE   8 -12.674   0.116   6.381
   59   1HG2  ILE   8          HG21      ILE   8 -14.557  -2.320   4.106
   60   2HG2  ILE   8          HG22      ILE   8 -12.855  -2.183   3.664
   61   3HG2  ILE   8          HG23      ILE   8 -14.088  -1.386   2.686
   62   1HD1  ILE   8          HD11      ILE   8 -14.353  -2.407   6.375
   63   2HD1  ILE   8          HD12      ILE   8 -14.950  -0.824   6.875
   64   3HD1  ILE   8          HD13      ILE   8 -13.653  -1.605   7.782
   65    H    TRP   9           HN       TRP   9 -12.518  -0.531   1.588
   66    HA   TRP   9           HA       TRP   9  -9.968  -1.828   2.036
   67   1HB   TRP   9          HB2       TRP   9 -11.525  -1.084  -0.467
   68   2HB   TRP   9          HB1       TRP   9 -10.112  -2.134  -0.467
   69    HD1  TRP   9           HD1      TRP   9 -11.005  -3.572   2.372
   70    HE1  TRP   9           HE1      TRP   9 -12.835  -5.380   2.241
   71    HE3  TRP   9           HE3      TRP   9 -13.126  -2.363  -2.115
   72    HZ2  TRP   9           HZ2      TRP   9 -14.920  -6.211   0.467
   73    HZ3  TRP   9           HZ3      TRP   9 -15.029  -3.680  -3.001
   74    HH2  TRP   9           HH2      TRP   9 -15.929  -5.600  -1.717
   75    H    ASP  10           HN       ASP  10 -10.983   1.218   0.511
   76    HA   ASP  10           HA       ASP  10  -8.464   2.038  -0.564
   77   1HB   ASP  10          HB2       ASP  10 -10.902   2.925  -0.843
   78   2HB   ASP  10          HB1       ASP  10 -10.553   3.888   0.593
   79    H    TRP  11           HN       TRP  11  -9.973   2.633   2.632
   80    HA   TRP  11           HA       TRP  11  -7.915   4.325   3.683
   81   1HB   TRP  11          HB2       TRP  11  -9.491   4.406   5.304
   82   2HB   TRP  11          HB1       TRP  11 -10.376   3.133   4.476
   83    HD1  TRP  11           HD1      TRP  11 -10.738   1.019   5.818
   84    HE1  TRP  11           HE1      TRP  11  -9.674  -0.063   7.898
   85    HE3  TRP  11           HE3      TRP  11  -6.903   4.287   6.652
   86    HZ2  TRP  11           HZ2      TRP  11  -7.491   0.395   9.683
   87    HZ3  TRP  11           HZ3      TRP  11  -5.350   3.936   8.549
   88    HH2  TRP  11           HH2      TRP  11  -5.639   1.999  10.065
   89    H    ILE  12           HN       ILE  12  -8.259   0.778   3.617
   90    HA   ILE  12           HA       ILE  12  -5.879   0.298   5.245
   91    HB   ILE  12           HB       ILE  12  -7.785  -1.320   3.554
   92   1HG1  ILE  12          HG12      ILE  12  -8.506  -0.721   5.803
   93   2HG1  ILE  12          HG11      ILE  12  -8.143  -2.445   5.766
   94   1HG2  ILE  12          HG21      ILE  12  -5.175  -2.258   4.773
   95   2HG2  ILE  12          HG22      ILE  12  -5.704  -2.423   3.098
   96   3HG2  ILE  12          HG23      ILE  12  -6.493  -3.358   4.368
   97   1HD1  ILE  12          HD11      ILE  12  -5.781  -1.786   6.566
   98   2HD1  ILE  12          HD12      ILE  12  -7.089  -1.659   7.743
   99   3HD1  ILE  12          HD13      ILE  12  -6.481  -0.211   6.941
  100    H    CYS  13           HN       CYS  13  -6.636   0.290   1.755
  101    HA   CYS  13           HA       CYS  13  -4.115  -0.648   0.803
  102   1HB   CYS  13          HB2       CYS  13  -6.379  -0.295  -0.384
  103   2HB   CYS  13          HB1       CYS  13  -5.884   1.390  -0.566
  104    HG   CYS  13           HG       CYS  13  -4.082  -0.907  -1.689
  105    H    GLU  14           HN       GLU  14  -5.240   2.655   1.589
  106    HA   GLU  14           HA       GLU  14  -2.958   4.081   0.599
  107   1HB   GLU  14          HB2       GLU  14  -5.315   4.839   1.448
  108   2HB   GLU  14          HB1       GLU  14  -4.550   4.876   3.038
  109   1HG   GLU  14          HG2       GLU  14  -3.715   6.907   2.545
  110   2HG   GLU  14          HG1       GLU  14  -2.759   6.167   1.261
  111    H    VAL  15           HN       VAL  15  -3.711   2.968   3.935
  112    HA   VAL  15           HA       VAL  15  -1.213   3.755   5.102
  113    HB   VAL  15           HB       VAL  15  -3.249   1.607   5.788
  114   1HG1  VAL  15          HG11      VAL  15  -2.114   2.136   8.155
  115   2HG1  VAL  15          HG12      VAL  15  -0.716   2.461   7.129
  116   3HG1  VAL  15          HG13      VAL  15  -1.488   0.874   7.093
  117   1HG2  VAL  15          HG21      VAL  15  -4.375   3.609   6.081
  118   2HG2  VAL  15          HG22      VAL  15  -2.895   4.518   6.386
  119   3HG2  VAL  15          HG23      VAL  15  -3.578   3.495   7.650
  120    H    LEU  16           HN       LEU  16  -2.220   0.800   3.394
  121    HA   LEU  16           HA       LEU  16   0.027  -0.857   4.014
  122   1HB   LEU  16          HB2       LEU  16  -2.250  -0.788   2.233
  123   2HB   LEU  16          HB1       LEU  16  -0.829  -1.323   1.338
  124    HG   LEU  16           HG       LEU  16  -0.381  -2.940   3.257
  125   1HD1  LEU  16          HD11      LEU  16  -3.291  -2.496   3.926
  126   2HD1  LEU  16          HD12      LEU  16  -2.017  -1.618   4.771
  127   3HD1  LEU  16          HD13      LEU  16  -2.073  -3.378   4.848
  128   1HD2  LEU  16          HD21      LEU  16  -2.962  -3.238   1.683
  129   2HD2  LEU  16          HD22      LEU  16  -2.077  -4.558   2.449
  130   3HD2  LEU  16          HD23      LEU  16  -1.349  -3.668   1.111
  131    H    SER  17           HN       SER  17  -0.492   1.509   1.369
  132    HA   SER  17           HA       SER  17   2.031   1.132   0.051
  133   1HB   SER  17          HB2       SER  17  -0.185   2.461  -0.543
  134   2HB   SER  17          HB1       SER  17   0.645   3.798   0.250
  135    HG   SER  17           HG       SER  17   1.624   4.013  -1.597
  136    H    ASP  18           HN       ASP  18   0.996   3.295   2.701
  137    HA   ASP  18           HA       ASP  18   3.445   4.746   3.020
  138   1HB   ASP  18          HB2       ASP  18   1.050   4.046   4.698
  139   2HB   ASP  18          HB1       ASP  18   2.427   4.832   5.471
  140    H    PHE  19           HN       PHE  19   2.526   1.488   3.949
  141    HA   PHE  19           HA       PHE  19   4.850   1.206   5.782
  142   1HB   PHE  19          HB2       PHE  19   2.301   0.348   5.931
  143   2HB   PHE  19          HB1       PHE  19   3.002  -1.036   5.092
  144    HD1  PHE  19           HD1      PHE  19   4.703  -2.434   6.152
  145    HD2  PHE  19           HD2      PHE  19   3.022   0.951   8.196
  146    HE1  PHE  19           HE1      PHE  19   5.666  -3.245   8.287
  147    HE2  PHE  19           HE2      PHE  19   3.987   0.139  10.331
  148    HZ   PHE  19           HZ       PHE  19   5.309  -1.959  10.376
  149    H    LYS  20           HN       LYS  20   3.938   0.455   2.488
  150    HA   LYS  20           HA       LYS  20   6.206  -1.488   2.263
  151   1HB   LYS  20          HB2       LYS  20   3.671  -1.865   1.587
  152   2HB   LYS  20          HB1       LYS  20   4.153  -0.993   0.132
  153   1HG   LYS  20          HG2       LYS  20   5.619  -2.653  -0.550
  154   2HG   LYS  20          HG1       LYS  20   5.910  -3.217   1.096
  155   1HD   LYS  20          HD2       LYS  20   4.082  -4.594   1.097
  156   2HD   LYS  20          HD1       LYS  20   3.127  -3.498   0.098
  157   1HE   LYS  20          HE2       LYS  20   5.492  -4.804  -1.190
  158   2HE   LYS  20          HE1       LYS  20   4.058  -5.806  -0.894
  159   1HZ   LYS  20          HZ1       LYS  20   2.687  -4.155  -1.974
  160   2HZ   LYS  20          HZ2       LYS  20   3.931  -4.626  -3.032
  161   3HZ   LYS  20          HZ3       LYS  20   4.026  -3.140  -2.215
  162    H    THR  21           HN       THR  21   5.837   1.750   1.937
  163    HA   THR  21           HA       THR  21   7.280   1.965  -0.668
  164    HB   THR  21           HB       THR  21   5.760   3.884   1.119
  165    HG1  THR  21           HG1      THR  21   4.347   2.962  -0.177
  166   1HG2  THR  21          HG21      THR  21   7.423   4.482  -1.345
  167   2HG2  THR  21          HG22      THR  21   7.653   5.142   0.275
  168   3HG2  THR  21          HG23      THR  21   6.232   5.593  -0.668
  169    H    TRP  22           HN       TRP  22   7.569   2.831   2.798
  170    HA   TRP  22           HA       TRP  22  10.054   4.238   2.563
  171   1HB   TRP  22          HB2       TRP  22  10.078   4.068   4.968
  172   2HB   TRP  22          HB1       TRP  22   8.411   4.291   4.467
  173    HD1  TRP  22           HD1      TRP  22   6.711   2.437   5.047
  174    HE1  TRP  22           HE1      TRP  22   6.835   0.247   6.397
  175    HE3  TRP  22           HE3      TRP  22  11.774   1.977   5.526
  176    HZ2  TRP  22           HZ2      TRP  22   8.816  -1.470   7.534
  177    HZ3  TRP  22           HZ3      TRP  22  12.750   0.058   6.750
  178    HH2  TRP  22           HH2      TRP  22  11.279  -1.666   7.753
  179    H    LEU  23           HN       LEU  23   9.316   0.796   2.674
  180    HA   LEU  23           HA       LEU  23  11.967  -0.105   3.420
  181   1HB   LEU  23          HB2       LEU  23   9.449  -1.236   2.278
  182   2HB   LEU  23          HB1       LEU  23  10.922  -2.190   2.087
  183    HG   LEU  23           HG       LEU  23  10.607  -1.055   4.773
  184   1HD1  LEU  23          HD11      LEU  23   8.560  -2.969   3.645
  185   2HD1  LEU  23          HD12      LEU  23   8.272  -1.437   4.471
  186   3HD1  LEU  23          HD13      LEU  23   8.880  -2.825   5.373
  187   1HD2  LEU  23          HD21      LEU  23  11.344  -3.261   5.421
  188   2HD2  LEU  23          HD22      LEU  23  12.278  -2.788   4.001
  189   3HD2  LEU  23          HD23      LEU  23  10.933  -3.918   3.836
  190    H    LYS  24           HN       LYS  24  10.290   0.095   0.249
  191    HA   LYS  24           HA       LYS  24  12.443  -0.736  -1.397
  192   1HB   LYS  24          HB2       LYS  24   9.907  -0.164  -1.822
  193   2HB   LYS  24          HB1       LYS  24  10.528   1.443  -2.201
  194   1HG   LYS  24          HG2       LYS  24  12.020  -0.785  -3.449
  195   2HG   LYS  24          HG1       LYS  24  10.360  -0.596  -4.014
  196   1HD   LYS  24          HD2       LYS  24  10.995   1.951  -4.164
  197   2HD   LYS  24          HD1       LYS  24  12.649   1.339  -4.197
  198   1HE   LYS  24          HE2       LYS  24  12.190   0.003  -6.170
  199   2HE   LYS  24          HE1       LYS  24  10.461   0.392  -6.082
  200   1HZ   LYS  24          HZ1       LYS  24  11.549   1.875  -7.633
  201   2HZ   LYS  24          HZ2       LYS  24  12.683   2.337  -6.454
  202   3HZ   LYS  24          HZ3       LYS  24  11.046   2.754  -6.273
  203    H    ALA  25           HN       ALA  25  11.940   2.339   0.244
  204    HA   ALA  25           HA       ALA  25  14.044   3.693  -1.354
  205   1HB   ALA  25          HB1       ALA  25  12.107   4.496   0.830
  206   2HB   ALA  25          HB2       ALA  25  12.081   4.975  -0.867
  207   3HB   ALA  25          HB3       ALA  25  13.333   5.599   0.206
  208    H    LYS  26           HN       LYS  26  13.484   2.469   1.953
  209    HA   LYS  26           HA       LYS  26  16.213   3.339   2.773
  210   1HB   LYS  26          HB2       LYS  26  13.859   3.501   4.024
  211   2HB   LYS  26          HB1       LYS  26  14.303   1.879   4.553
  212   1HG   LYS  26          HG2       LYS  26  16.544   2.840   5.264
  213   2HG   LYS  26          HG1       LYS  26  15.865   4.440   4.962
  214   1HD   LYS  26          HD2       LYS  26  15.350   4.214   7.207
  215   2HD   LYS  26          HD1       LYS  26  13.896   3.514   6.492
  216   1HE   LYS  26          HE2       LYS  26  14.749   1.260   6.799
  217   2HE   LYS  26          HE1       LYS  26  16.323   1.884   7.330
  218   1HZ   LYS  26          HZ1       LYS  26  14.796   1.318   9.192
  219   2HZ   LYS  26          HZ2       LYS  26  13.743   2.539   8.657
  220   3HZ   LYS  26          HZ3       LYS  26  15.305   2.936   9.199
  221    H    LEU  27           HN       LEU  27  15.464   0.893   0.944
  222    HA   LEU  27           HA       LEU  27  16.988  -1.147   2.537
  223   1HB   LEU  27          HB2       LEU  27  14.545  -1.612   2.136
  224   2HB   LEU  27          HB1       LEU  27  14.874  -1.598   0.404
  225    HG   LEU  27           HG       LEU  27  16.740  -3.356   1.066
  226   1HD1  LEU  27          HD11      LEU  27  16.204  -4.688   2.984
  227   2HD1  LEU  27          HD12      LEU  27  14.669  -3.852   3.218
  228   3HD1  LEU  27          HD13      LEU  27  16.188  -3.011   3.533
  229   1HD2  LEU  27          HD21      LEU  27  13.761  -3.884   0.871
  230   2HD2  LEU  27          HD22      LEU  27  14.972  -5.164   0.803
  231   3HD2  LEU  27          HD23      LEU  27  14.943  -3.911  -0.439
  232    H    MET  28           HN       MET  28  16.070  -0.522  -0.893
  233    HA   MET  28           HA       MET  28  18.883  -0.327  -1.705
  234   1HB   MET  28          HB2       MET  28  18.211  -2.813  -1.284
  235   2HB   MET  28          HB1       MET  28  17.294  -2.659  -2.782
  236   1HG   MET  28          HG2       MET  28  19.497  -3.527  -3.321
  237   2HG   MET  28          HG1       MET  28  19.390  -1.871  -3.918
  238   1HE   MET  28          HE1       MET  28  21.900  -3.638  -0.581
  239   2HE   MET  28          HE2       MET  28  20.707  -4.396  -1.633
  240   3HE   MET  28          HE3       MET  28  20.174  -3.471  -0.232
  241    HA   PRO  29           HA       PRO  29  15.588   1.548  -4.482
  242   1HB   PRO  29          HB2       PRO  29  16.364   4.158  -4.180
  243   2HB   PRO  29          HB1       PRO  29  15.177   3.375  -3.117
  244   1HG   PRO  29          HG2       PRO  29  18.072   3.903  -2.658
  245   2HG   PRO  29          HG1       PRO  29  16.710   4.030  -1.535
  246   1HD   PRO  29          HD2       PRO  29  18.435   1.925  -1.556
  247   2HD   PRO  29          HD1       PRO  29  16.739   1.794  -1.038
  248    H    GLN  30           HN       GLN  30  16.192   3.162  -6.397
  249    HA   GLN  30           HA       GLN  30  18.726   2.183  -7.573
  250   1HB   GLN  30          HB2       GLN  30  16.294   2.423  -8.602
  251   2HB   GLN  30          HB1       GLN  30  16.809   4.083  -8.897
  252   1HG   GLN  30          HG2       GLN  30  18.620   3.394 -10.271
  253   2HG   GLN  30          HG1       GLN  30  18.510   1.724  -9.714
  254   1HE2  GLN  30          HE21      GLN  30  17.371   3.963 -12.106
  255   2HE2  GLN  30          HE22      GLN  30  16.242   2.930 -12.839
  256    H    LEU  31           HN       LEU  31  20.230   3.421  -6.247
  257    HA   LEU  31           HA       LEU  31  20.415   6.298  -7.058
  258   1HB   LEU  31          HB2       LEU  31  19.460   5.545  -4.658
  259   2HB   LEU  31          HB1       LEU  31  21.184   5.480  -4.290
  260    HG   LEU  31           HG       LEU  31  21.246   7.835  -5.445
  261   1HD1  LEU  31          HD11      LEU  31  18.873   7.671  -6.228
  262   2HD1  LEU  31          HD12      LEU  31  19.171   9.095  -5.232
  263   3HD1  LEU  31          HD13      LEU  31  18.352   7.693  -4.543
  264   1HD2  LEU  31          HD21      LEU  31  21.739   7.481  -3.079
  265   2HD2  LEU  31          HD22      LEU  31  20.020   7.351  -2.711
  266   3HD2  LEU  31          HD23      LEU  31  20.693   8.891  -3.245
  Start of MODEL   14
    1   1H    SER   1           HT1      SER   1 -30.209  -0.550  -0.888
    2   2H    SER   1           HT2      SER   1 -29.655   0.221   0.522
    3   3H    SER   1           HT3      SER   1 -30.032  -1.435   0.549
    4    HA   SER   1           HA       SER   1 -28.185  -1.948  -0.900
    5   1HB   SER   1          HB2       SER   1 -27.849   1.070  -0.866
    6   2HB   SER   1          HB1       SER   1 -26.784  -0.064  -1.693
    7    HG   SER   1           HG       SER   1 -28.240   0.597  -3.202
    8    H    GLY   2           HN       GLY   2 -25.850  -1.898  -0.139
    9   1HA   GLY   2          HA2       GLY   2 -25.262  -0.630   2.428
   10   2HA   GLY   2          HA1       GLY   2 -25.489  -2.375   2.549
   11    H    SER   3           HN       SER   3 -23.147  -0.079   2.202
   12    HA   SER   3           HA       SER   3 -21.365  -1.901   0.615
   13   1HB   SER   3          HB2       SER   3 -20.083   0.360   0.357
   14   2HB   SER   3          HB1       SER   3 -21.572   0.138  -0.557
   15    HG   SER   3           HG       SER   3 -21.232   2.151   0.791
   16    H    TRP   4           HN       TRP   4 -20.490   0.821   2.727
   17    HA   TRP   4           HA       TRP   4 -19.165   0.941   4.662
   18   1HB   TRP   4          HB2       TRP   4 -20.936  -1.227   4.946
   19   2HB   TRP   4          HB1       TRP   4 -19.367  -1.836   5.474
   20    HD1  TRP   4           HD1      TRP   4 -22.256  -0.083   6.774
   21    HE1  TRP   4           HE1      TRP   4 -21.704   1.180   8.952
   22    HE3  TRP   4           HE3      TRP   4 -17.149  -0.210   6.601
   23    HZ2  TRP   4           HZ2      TRP   4 -19.403   2.024  10.426
   24    HZ3  TRP   4           HZ3      TRP   4 -15.807   0.830   8.404
   25    HH2  TRP   4           HH2      TRP   4 -16.925   1.946  10.314
   26    H    LEU   5           HN       LEU   5 -18.585  -2.425   3.619
   27    HA   LEU   5           HA       LEU   5 -15.836  -2.572   4.137
   28   1HB   LEU   5          HB2       LEU   5 -17.777  -3.871   2.278
   29   2HB   LEU   5          HB1       LEU   5 -16.065  -4.170   1.978
   30    HG   LEU   5           HG       LEU   5 -17.117  -4.419   4.778
   31   1HD1  LEU   5          HD11      LEU   5 -17.219  -6.664   2.747
   32   2HD1  LEU   5          HD12      LEU   5 -18.633  -5.719   3.214
   33   3HD1  LEU   5          HD13      LEU   5 -17.791  -6.700   4.414
   34   1HD2  LEU   5          HD21      LEU   5 -15.315  -6.125   4.874
   35   2HD2  LEU   5          HD22      LEU   5 -14.697  -4.557   4.354
   36   3HD2  LEU   5          HD23      LEU   5 -14.966  -5.835   3.169
   37    H    ARG   6           HN       ARG   6 -17.437  -1.224   1.248
   38    HA   ARG   6           HA       ARG   6 -15.158  -0.873  -0.419
   39   1HB   ARG   6          HB2       ARG   6 -17.896   0.164  -0.130
   40   2HB   ARG   6          HB1       ARG   6 -16.795   1.321  -0.876
   41   1HG   ARG   6          HG2       ARG   6 -17.254   0.189  -2.793
   42   2HG   ARG   6          HG1       ARG   6 -16.093  -0.985  -2.172
   43   1HD   ARG   6          HD2       ARG   6 -17.860  -2.343  -1.223
   44   2HD   ARG   6          HD1       ARG   6 -19.074  -1.101  -1.589
   45    HE   ARG   6           HE       ARG   6 -17.706  -1.746  -4.009
   46   1HH1  ARG   6          HH21      ARG   6 -17.938  -4.533  -3.172
   47   2HH1  ARG   6          HH22      ARG   6 -19.543  -4.972  -3.650
   48   1HH2  ARG   6          HH11      ARG   6 -20.617  -1.687  -4.008
   49   2HH2  ARG   6          HH12      ARG   6 -21.063  -3.356  -4.131
   50    H    ASP   7           HN       ASP   7 -16.461   1.173   2.190
   51    HA   ASP   7           HA       ASP   7 -14.584   3.352   1.856
   52   1HB   ASP   7          HB2       ASP   7 -16.433   2.381   4.046
   53   2HB   ASP   7          HB1       ASP   7 -15.444   3.828   4.242
   54    H    ILE   8           HN       ILE   8 -14.405   0.230   3.438
   55    HA   ILE   8           HA       ILE   8 -12.106   0.977   5.140
   56    HB   ILE   8           HB       ILE   8 -13.036  -1.834   4.544
   57   1HG1  ILE   8          HG12      ILE   8 -14.445   0.188   6.322
   58   2HG1  ILE   8          HG11      ILE   8 -15.106  -0.602   4.892
   59   1HG2  ILE   8          HG21      ILE   8 -12.091  -0.439   7.067
   60   2HG2  ILE   8          HG22      ILE   8 -11.094  -1.458   6.028
   61   3HG2  ILE   8          HG23      ILE   8 -12.449  -2.158   6.912
   62   1HD1  ILE   8          HD11      ILE   8 -15.975  -1.818   6.753
   63   2HD1  ILE   8          HD12      ILE   8 -14.399  -1.873   7.541
   64   3HD1  ILE   8          HD13      ILE   8 -14.689  -2.821   6.082
   65    H    TRP   9           HN       TRP   9 -12.739  -0.617   2.050
   66    HA   TRP   9           HA       TRP   9 -10.221  -1.876   1.654
   67   1HB   TRP   9          HB2       TRP   9 -12.229  -0.640  -0.253
   68   2HB   TRP   9          HB1       TRP   9 -10.885  -1.649  -0.781
   69    HD1  TRP   9           HD1      TRP   9 -11.419  -3.412   2.121
   70    HE1  TRP   9           HE1      TRP   9 -13.197  -5.267   1.950
   71    HE3  TRP   9           HE3      TRP   9 -13.861  -1.911  -2.109
   72    HZ2  TRP   9           HZ2      TRP   9 -15.365  -6.020   0.246
   73    HZ3  TRP   9           HZ3      TRP   9 -15.777  -3.219  -2.982
   74    HH2  TRP   9           HH2      TRP   9 -16.530  -5.270  -1.810
   75    H    ASP  10           HN       ASP  10 -11.285   1.463   0.984
   76    HA   ASP  10           HA       ASP  10  -8.899   2.323  -0.382
   77   1HB   ASP  10          HB2       ASP  10 -11.029   3.519  -0.494
   78   2HB   ASP  10          HB1       ASP  10 -10.997   3.799   1.247
   79    H    TRP  11           HN       TRP  11  -9.916   2.639   3.052
   80    HA   TRP  11           HA       TRP  11  -7.633   4.006   4.024
   81   1HB   TRP  11          HB2       TRP  11  -8.870   3.810   5.911
   82   2HB   TRP  11          HB1       TRP  11  -9.991   2.808   5.003
   83    HD1  TRP  11           HD1      TRP  11 -10.307   0.440   5.850
   84    HE1  TRP  11           HE1      TRP  11  -9.071  -1.124   7.477
   85    HE3  TRP  11           HE3      TRP  11  -6.193   3.290   6.855
   86    HZ2  TRP  11           HZ2      TRP  11  -6.661  -1.164   9.008
   87    HZ3  TRP  11           HZ3      TRP  11  -4.446   2.461   8.405
   88    HH2  TRP  11           HH2      TRP  11  -4.675   0.242   9.482
   89    H    ILE  12           HN       ILE  12  -8.096   0.545   3.357
   90    HA   ILE  12           HA       ILE  12  -5.583  -0.302   4.558
   91    HB   ILE  12           HB       ILE  12  -7.663  -1.464   2.703
   92   1HG1  ILE  12          HG12      ILE  12  -8.185  -1.387   5.086
   93   2HG1  ILE  12          HG11      ILE  12  -7.890  -3.060   4.615
   94   1HG2  ILE  12          HG21      ILE  12  -4.948  -2.596   3.380
   95   2HG2  ILE  12          HG22      ILE  12  -5.745  -2.514   1.808
   96   3HG2  ILE  12          HG23      ILE  12  -6.314  -3.655   3.028
   97   1HD1  ILE  12          HD11      ILE  12  -6.060  -1.199   6.136
   98   2HD1  ILE  12          HD12      ILE  12  -5.450  -2.651   5.343
   99   3HD1  ILE  12          HD13      ILE  12  -6.655  -2.785   6.624
  100    H    CYS  13           HN       CYS  13  -6.637   0.528   1.247
  101    HA   CYS  13           HA       CYS  13  -4.178  -0.147  -0.078
  102   1HB   CYS  13          HB2       CYS  13  -6.612   0.414  -0.916
  103   2HB   CYS  13          HB1       CYS  13  -6.015   2.074  -0.952
  104    HG   CYS  13           HG       CYS  13  -4.250   1.391  -2.713
  105    H    GLU  14           HN       GLU  14  -5.333   2.844   1.474
  106    HA   GLU  14           HA       GLU  14  -3.258   4.612   0.619
  107   1HB   GLU  14          HB2       GLU  14  -4.979   4.447   3.115
  108   2HB   GLU  14          HB1       GLU  14  -3.951   5.833   2.745
  109   1HG   GLU  14          HG2       GLU  14  -5.973   4.802   0.752
  110   2HG   GLU  14          HG1       GLU  14  -6.422   5.965   1.999
  111    H    VAL  15           HN       VAL  15  -3.515   2.668   3.633
  112    HA   VAL  15           HA       VAL  15  -0.886   3.324   4.615
  113    HB   VAL  15           HB       VAL  15  -2.811   1.022   5.090
  114   1HG1  VAL  15          HG11      VAL  15  -1.335   0.954   7.300
  115   2HG1  VAL  15          HG12      VAL  15  -0.096   1.600   6.223
  116   3HG1  VAL  15          HG13      VAL  15  -0.853   0.047   5.866
  117   1HG2  VAL  15          HG21      VAL  15  -3.850   2.837   6.054
  118   2HG2  VAL  15          HG22      VAL  15  -2.343   3.732   6.243
  119   3HG2  VAL  15          HG23      VAL  15  -2.752   2.446   7.378
  120    H    LEU  16           HN       LEU  16  -2.108   0.841   2.399
  121    HA   LEU  16           HA       LEU  16   0.140  -0.904   2.306
  122   1HB   LEU  16          HB2       LEU  16  -2.296  -0.778   1.140
  123   2HB   LEU  16          HB1       LEU  16  -1.315  -0.203  -0.207
  124    HG   LEU  16           HG       LEU  16  -0.432  -2.648   1.288
  125   1HD1  LEU  16          HD11      LEU  16  -2.822  -3.032   0.798
  126   2HD1  LEU  16          HD12      LEU  16  -1.798  -4.049  -0.218
  127   3HD1  LEU  16          HD13      LEU  16  -2.546  -2.600  -0.890
  128   1HD2  LEU  16          HD21      LEU  16  -0.174  -1.521  -1.505
  129   2HD2  LEU  16          HD22      LEU  16   0.218  -3.205  -1.154
  130   3HD2  LEU  16          HD23      LEU  16   1.109  -1.908  -0.357
  131    H    SER  17           HN       SER  17  -0.540   2.129   0.541
  132    HA   SER  17           HA       SER  17   1.816   2.135  -1.109
  133   1HB   SER  17          HB2       SER  17   0.172   4.422   0.037
  134   2HB   SER  17          HB1       SER  17   1.245   4.531  -1.355
  135    HG   SER  17           HG       SER  17  -1.305   3.678  -1.225
  136    H    ASP  18           HN       ASP  18   1.136   3.456   2.145
  137    HA   ASP  18           HA       ASP  18   3.640   4.773   2.584
  138   1HB   ASP  18          HB2       ASP  18   1.475   3.535   4.275
  139   2HB   ASP  18          HB1       ASP  18   2.951   4.104   5.054
  140    H    PHE  19           HN       PHE  19   2.581   1.414   3.118
  141    HA   PHE  19           HA       PHE  19   4.971   0.424   4.359
  142   1HB   PHE  19          HB2       PHE  19   2.558  -0.552   4.045
  143   2HB   PHE  19          HB1       PHE  19   3.188  -1.170   2.520
  144    HD1  PHE  19           HD1      PHE  19   3.666  -1.210   6.206
  145    HD2  PHE  19           HD2      PHE  19   4.689  -3.027   2.452
  146    HE1  PHE  19           HE1      PHE  19   4.744  -3.090   7.410
  147    HE2  PHE  19           HE2      PHE  19   5.767  -4.908   3.656
  148    HZ   PHE  19           HZ       PHE  19   5.795  -4.940   6.136
  149    H    LYS  20           HN       LYS  20   3.983   0.729   0.937
  150    HA   LYS  20           HA       LYS  20   6.166  -0.703  -0.243
  151   1HB   LYS  20          HB2       LYS  20   3.974   0.146  -1.263
  152   2HB   LYS  20          HB1       LYS  20   4.747   1.729  -1.366
  153   1HG   LYS  20          HG2       LYS  20   6.338  -0.533  -2.432
  154   2HG   LYS  20          HG1       LYS  20   4.880  -0.136  -3.342
  155   1HD   LYS  20          HD2       LYS  20   5.590   2.161  -3.606
  156   2HD   LYS  20          HD1       LYS  20   6.959   1.913  -2.524
  157   1HE   LYS  20          HE2       LYS  20   6.650   0.255  -5.037
  158   2HE   LYS  20          HE1       LYS  20   7.449   1.839  -5.068
  159   1HZ   LYS  20          HZ1       LYS  20   9.139   0.287  -4.587
  160   2HZ   LYS  20          HZ2       LYS  20   8.185  -0.540  -3.452
  161   3HZ   LYS  20          HZ3       LYS  20   8.775   1.015  -3.099
  162    H    THR  21           HN       THR  21   5.793   2.742   0.640
  163    HA   THR  21           HA       THR  21   8.348   3.620  -0.374
  164    HB   THR  21           HB       THR  21   6.672   4.738   1.900
  165    HG1  THR  21           HG1      THR  21   5.247   5.149   0.433
  166   1HG2  THR  21          HG21      THR  21   7.603   6.904   1.069
  167   2HG2  THR  21          HG22      THR  21   8.620   5.999  -0.051
  168   3HG2  THR  21          HG23      THR  21   8.845   5.817   1.690
  169    H    TRP  22           HN       TRP  22   7.272   2.338   2.769
  170    HA   TRP  22           HA       TRP  22   9.724   2.826   4.211
  171   1HB   TRP  22          HB2       TRP  22   7.845   2.396   5.541
  172   2HB   TRP  22          HB1       TRP  22   7.273   1.101   4.488
  173    HD1  TRP  22           HD1      TRP  22   9.749   1.815   7.304
  174    HE1  TRP  22           HE1      TRP  22  10.574  -0.426   8.277
  175    HE3  TRP  22           HE3      TRP  22   7.664  -1.421   3.953
  176    HZ2  TRP  22           HZ2      TRP  22  10.376  -3.225   7.703
  177    HZ3  TRP  22           HZ3      TRP  22   7.996  -3.863   4.187
  178    HH2  TRP  22           HH2      TRP  22   9.348  -4.770   6.053
  179    H    LEU  23           HN       LEU  23   8.542   0.107   2.227
  180    HA   LEU  23           HA       LEU  23  10.542  -1.817   2.811
  181   1HB   LEU  23          HB2       LEU  23   8.475  -1.297   0.841
  182   2HB   LEU  23          HB1       LEU  23   9.892  -2.009   0.068
  183    HG   LEU  23           HG       LEU  23   9.204  -3.275   2.629
  184   1HD1  LEU  23          HD11      LEU  23   7.290  -4.558   1.523
  185   2HD1  LEU  23          HD12      LEU  23   7.241  -3.260   0.330
  186   3HD1  LEU  23          HD13      LEU  23   6.926  -2.908   2.029
  187   1HD2  LEU  23          HD21      LEU  23  10.864  -4.133   0.987
  188   2HD2  LEU  23          HD22      LEU  23   9.564  -4.350  -0.186
  189   3HD2  LEU  23          HD23      LEU  23   9.580  -5.300   1.301
  190    H    LYS  24           HN       LYS  24  10.629   1.005   0.653
  191    HA   LYS  24           HA       LYS  24  13.285   0.275  -0.417
  192   1HB   LYS  24          HB2       LYS  24  11.518   1.398  -1.773
  193   2HB   LYS  24          HB1       LYS  24  11.587   2.784  -0.684
  194   1HG   LYS  24          HG2       LYS  24  12.977   3.378  -2.524
  195   2HG   LYS  24          HG1       LYS  24  14.091   2.902  -1.245
  196   1HD   LYS  24          HD2       LYS  24  13.750   0.498  -2.395
  197   2HD   LYS  24          HD1       LYS  24  13.437   1.514  -3.802
  198   1HE   LYS  24          HE2       LYS  24  15.797   2.341  -2.217
  199   2HE   LYS  24          HE1       LYS  24  15.952   0.760  -3.007
  200   1HZ   LYS  24          HZ1       LYS  24  14.952   3.201  -4.378
  201   2HZ   LYS  24          HZ2       LYS  24  15.322   1.703  -5.090
  202   3HZ   LYS  24          HZ3       LYS  24  16.563   2.675  -4.457
  203    H    ALA  25           HN       ALA  25  11.881   2.429   2.025
  204    HA   ALA  25           HA       ALA  25  14.264   3.994   2.535
  205   1HB   ALA  25          HB1       ALA  25  11.785   4.427   3.132
  206   2HB   ALA  25          HB2       ALA  25  12.977   4.824   4.369
  207   3HB   ALA  25          HB3       ALA  25  12.048   3.331   4.489
  208    H    LYS  26           HN       LYS  26  12.814   1.135   4.127
  209    HA   LYS  26           HA       LYS  26  15.105   0.779   5.933
  210   1HB   LYS  26          HB2       LYS  26  12.777   0.239   6.566
  211   2HB   LYS  26          HB1       LYS  26  12.683  -0.932   5.251
  212   1HG   LYS  26          HG2       LYS  26  13.143  -2.127   7.316
  213   2HG   LYS  26          HG1       LYS  26  14.587  -2.183   6.305
  214   1HD   LYS  26          HD2       LYS  26  14.791   0.188   7.839
  215   2HD   LYS  26          HD1       LYS  26  14.279  -1.078   8.955
  216   1HE   LYS  26          HE2       LYS  26  16.267  -2.203   8.789
  217   2HE   LYS  26          HE1       LYS  26  16.416  -1.874   7.051
  218   1HZ   LYS  26          HZ1       LYS  26  18.059  -0.588   8.202
  219   2HZ   LYS  26          HZ2       LYS  26  16.902   0.038   9.278
  220   3HZ   LYS  26          HZ3       LYS  26  16.868   0.478   7.635
  221    H    LEU  27           HN       LEU  27  14.005  -0.440   2.823
  222    HA   LEU  27           HA       LEU  27  15.105  -1.708   1.181
  223   1HB   LEU  27          HB2       LEU  27  17.059  -0.343   2.573
  224   2HB   LEU  27          HB1       LEU  27  17.607  -2.015   2.698
  225    HG   LEU  27           HG       LEU  27  16.873  -1.929   0.077
  226   1HD1  LEU  27          HD11      LEU  27  17.709   0.182  -0.869
  227   2HD1  LEU  27          HD12      LEU  27  18.010   0.800   0.755
  228   3HD1  LEU  27          HD13      LEU  27  16.358   0.487   0.222
  229   1HD2  LEU  27          HD21      LEU  27  19.306  -1.657  -0.387
  230   2HD2  LEU  27          HD22      LEU  27  19.005  -2.773   0.944
  231   3HD2  LEU  27          HD23      LEU  27  19.543  -1.127   1.278
  232    H    MET  28           HN       MET  28  14.195  -3.718   1.144
  233    HA   MET  28           HA       MET  28  14.959  -5.683   3.279
  234   1HB   MET  28          HB2       MET  28  12.515  -4.868   2.662
  235   2HB   MET  28          HB1       MET  28  12.683  -6.028   1.346
  236   1HG   MET  28          HG2       MET  28  13.612  -7.176   3.843
  237   2HG   MET  28          HG1       MET  28  11.954  -6.591   4.002
  238   1HE   MET  28          HE1       MET  28  12.109 -10.336   3.701
  239   2HE   MET  28          HE2       MET  28  10.579  -9.472   3.820
  240   3HE   MET  28          HE3       MET  28  11.985  -8.884   4.704
  241    HA   PRO  29           HA       PRO  29  17.128  -7.262  -0.425
  242   1HB   PRO  29          HB2       PRO  29  19.206  -8.387   0.949
  243   2HB   PRO  29          HB1       PRO  29  19.156  -6.669   0.512
  244   1HG   PRO  29          HG2       PRO  29  18.633  -7.971   3.122
  245   2HG   PRO  29          HG1       PRO  29  19.363  -6.400   2.767
  246   1HD   PRO  29          HD2       PRO  29  16.759  -6.786   3.613
  247   2HD   PRO  29          HD1       PRO  29  17.358  -5.338   2.776
  248    H    GLN  30           HN       GLN  30  14.871  -8.617   0.361
  249    HA   GLN  30           HA       GLN  30  15.718 -11.438   0.206
  250   1HB   GLN  30          HB2       GLN  30  15.327 -10.252   2.676
  251   2HB   GLN  30          HB1       GLN  30  13.754 -10.976   2.352
  252   1HG   GLN  30          HG2       GLN  30  14.563 -13.022   2.828
  253   2HG   GLN  30          HG1       GLN  30  15.810 -12.839   1.595
  254   1HE2  GLN  30          HE21      GLN  30  17.713 -11.283   2.395
  255   2HE2  GLN  30          HE22      GLN  30  18.238 -11.550   3.988
  256    H    LEU  31           HN       LEU  31  14.243  -9.609  -1.556
  257    HA   LEU  31           HA       LEU  31  11.734 -11.184  -1.838
  258   1HB   LEU  31          HB2       LEU  31  11.973  -8.500  -0.796
  259   2HB   LEU  31          HB1       LEU  31  11.081  -8.460  -2.318
  260    HG   LEU  31           HG       LEU  31  10.426 -10.493  -0.188
  261   1HD1  LEU  31          HD11      LEU  31   9.258  -9.001   1.064
  262   2HD1  LEU  31          HD12      LEU  31   8.702  -8.107  -0.351
  263   3HD1  LEU  31          HD13      LEU  31  10.305  -7.795   0.316
  264   1HD2  LEU  31          HD21      LEU  31   8.281 -10.543  -1.333
  265   2HD2  LEU  31          HD22      LEU  31   9.555 -10.722  -2.539
  266   3HD2  LEU  31          HD23      LEU  31   8.742  -9.170  -2.339
  Start of MODEL   15
    1   1H    SER   1           HT1      SER   1 -14.755  -9.753   2.484
    2   2H    SER   1           HT2      SER   1 -15.679  -8.505   1.794
    3   3H    SER   1           HT3      SER   1 -14.823  -9.581   0.797
    4    HA   SER   1           HA       SER   1 -16.245 -11.412   1.453
    5   1HB   SER   1          HB2       SER   1 -17.589  -9.293   3.163
    6   2HB   SER   1          HB1       SER   1 -17.997 -11.005   3.103
    7    HG   SER   1           HG       SER   1 -16.661 -10.853   4.806
    8    H    GLY   2           HN       GLY   2 -18.838 -11.362   1.010
    9   1HA   GLY   2          HA2       GLY   2 -19.178 -10.130  -1.571
   10   2HA   GLY   2          HA1       GLY   2 -20.451 -10.927  -0.643
   11    H    SER   3           HN       SER   3 -20.037  -8.149  -2.091
   12    HA   SER   3           HA       SER   3 -20.833  -5.949  -1.790
   13   1HB   SER   3          HB2       SER   3 -22.531  -7.833  -0.308
   14   2HB   SER   3          HB1       SER   3 -22.631  -6.187   0.313
   15    HG   SER   3           HG       SER   3 -24.104  -6.581  -1.407
   16    H    TRP   4           HN       TRP   4 -18.414  -6.716  -0.283
   17    HA   TRP   4           HA       TRP   4 -18.680  -4.834   2.041
   18   1HB   TRP   4          HB2       TRP   4 -17.912  -7.628   1.862
   19   2HB   TRP   4          HB1       TRP   4 -16.594  -6.672   2.533
   20    HD1  TRP   4           HD1      TRP   4 -20.377  -7.238   3.084
   21    HE1  TRP   4           HE1      TRP   4 -20.883  -6.897   5.589
   22    HE3  TRP   4           HE3      TRP   4 -15.760  -5.795   4.735
   23    HZ2  TRP   4           HZ2      TRP   4 -19.517  -6.114   7.975
   24    HZ3  TRP   4           HZ3      TRP   4 -15.394  -5.259   7.126
   25    HH2  TRP   4           HH2      TRP   4 -17.263  -5.417   8.747
   26    H    LEU   5           HN       LEU   5 -16.020  -4.664   2.728
   27    HA   LEU   5           HA       LEU   5 -14.018  -3.555   2.177
   28   1HB   LEU   5          HB2       LEU   5 -14.649  -5.514   0.078
   29   2HB   LEU   5          HB1       LEU   5 -13.595  -4.222  -0.489
   30    HG   LEU   5           HG       LEU   5 -12.244  -6.057   0.395
   31   1HD1  LEU   5          HD11      LEU   5 -10.782  -4.582   1.266
   32   2HD1  LEU   5          HD12      LEU   5 -11.814  -4.291   2.666
   33   3HD1  LEU   5          HD13      LEU   5 -12.066  -3.376   1.181
   34   1HD2  LEU   5          HD21      LEU   5 -14.021  -6.920   1.948
   35   2HD2  LEU   5          HD22      LEU   5 -13.666  -5.576   3.032
   36   3HD2  LEU   5          HD23      LEU   5 -12.433  -6.793   2.703
   37    H    ARG   6           HN       ARG   6 -16.633  -2.166   1.692
   38    HA   ARG   6           HA       ARG   6 -16.276  -0.582  -0.758
   39   1HB   ARG   6          HB2       ARG   6 -18.108  -0.197   1.639
   40   2HB   ARG   6          HB1       ARG   6 -18.308   0.537   0.050
   41   1HG   ARG   6          HG2       ARG   6 -18.558  -2.391   0.786
   42   2HG   ARG   6          HG1       ARG   6 -19.793  -1.340   0.095
   43   1HD   ARG   6          HD2       ARG   6 -18.311  -1.107  -1.961
   44   2HD   ARG   6          HD1       ARG   6 -17.299  -2.396  -1.279
   45    HE   ARG   6           HE       ARG   6 -19.687  -3.598  -1.101
   46   1HH1  ARG   6          HH11      ARG   6 -20.714  -1.419  -3.005
   47   2HH1  ARG   6          HH12      ARG   6 -20.608  -2.240  -4.525
   48   1HH2  ARG   6          HH21      ARG   6 -18.538  -4.759  -3.319
   49   2HH2  ARG   6          HH22      ARG   6 -19.371  -4.138  -4.706
   50    H    ASP   7           HN       ASP   7 -16.263   0.203   2.750
   51    HA   ASP   7           HA       ASP   7 -14.623   2.628   2.142
   52   1HB   ASP   7          HB2       ASP   7 -16.872   2.559   3.471
   53   2HB   ASP   7          HB1       ASP   7 -15.894   1.899   4.784
   54    H    ILE   8           HN       ILE   8 -13.792  -0.392   2.504
   55    HA   ILE   8           HA       ILE   8 -11.826  -0.006   4.727
   56    HB   ILE   8           HB       ILE   8 -12.339  -2.615   3.322
   57   1HG1  ILE   8          HG12      ILE   8 -14.170  -1.371   5.403
   58   2HG1  ILE   8          HG11      ILE   8 -14.589  -1.723   3.726
   59   1HG2  ILE   8          HG21      ILE   8 -11.887  -1.906   6.234
   60   2HG2  ILE   8          HG22      ILE   8 -10.611  -2.370   5.108
   61   3HG2  ILE   8          HG23      ILE   8 -11.875  -3.524   5.533
   62   1HD1  ILE   8          HD11      ILE   8 -13.838  -4.165   4.340
   63   2HD1  ILE   8          HD12      ILE   8 -15.438  -3.600   4.821
   64   3HD1  ILE   8          HD13      ILE   8 -14.124  -3.632   5.997
   65    H    TRP   9           HN       TRP   9 -12.140  -0.955   1.305
   66    HA   TRP   9           HA       TRP   9  -9.428  -1.618   0.790
   67   1HB   TRP   9          HB2       TRP   9 -11.841  -0.824  -0.725
   68   2HB   TRP   9          HB1       TRP   9 -10.323  -0.483  -1.552
   69    HD1  TRP   9           HD1      TRP   9  -8.750  -3.040  -0.285
   70    HE1  TRP   9           HE1      TRP   9  -9.258  -5.370  -1.261
   71    HE3  TRP   9           HE3      TRP   9 -13.286  -2.125  -2.454
   72    HZ2  TRP   9           HZ2      TRP   9 -11.311  -6.674  -2.763
   73    HZ3  TRP   9           HZ3      TRP   9 -14.491  -3.928  -3.651
   74    HH2  TRP   9           HH2      TRP   9 -13.510  -6.199  -3.808
   75    H    ASP  10           HN       ASP  10 -11.084   1.544   0.690
   76    HA   ASP  10           HA       ASP  10  -8.871   3.085  -0.295
   77   1HB   ASP  10          HB2       ASP  10 -11.416   3.595  -0.020
   78   2HB   ASP  10          HB1       ASP  10 -10.980   4.087   1.617
   79    H    TRP  11           HN       TRP  11 -10.020   2.484   3.054
   80    HA   TRP  11           HA       TRP  11  -7.986   3.996   4.379
   81   1HB   TRP  11          HB2       TRP  11  -9.311   3.401   6.117
   82   2HB   TRP  11          HB1       TRP  11 -10.256   2.434   4.997
   83    HD1  TRP  11           HD1      TRP  11 -10.327  -0.063   5.439
   84    HE1  TRP  11           HE1      TRP  11  -9.037  -1.707   6.941
   85    HE3  TRP  11           HE3      TRP  11  -6.697   3.046   7.227
   86    HZ2  TRP  11           HZ2      TRP  11  -6.764  -1.706   8.675
   87    HZ3  TRP  11           HZ3      TRP  11  -4.985   2.198   8.803
   88    HH2  TRP  11           HH2      TRP  11  -5.013  -0.171   9.530
   89    H    ILE  12           HN       ILE  12  -8.036   0.663   3.158
   90    HA   ILE  12           HA       ILE  12  -5.461  -0.044   4.377
   91    HB   ILE  12           HB       ILE  12  -7.425  -1.273   2.443
   92   1HG1  ILE  12          HG12      ILE  12  -7.893  -1.464   4.834
   93   2HG1  ILE  12          HG11      ILE  12  -7.444  -3.046   4.200
   94   1HG2  ILE  12          HG21      ILE  12  -5.850  -3.315   2.523
   95   2HG2  ILE  12          HG22      ILE  12  -4.597  -2.174   3.007
   96   3HG2  ILE  12          HG23      ILE  12  -5.397  -1.995   1.445
   97   1HD1  ILE  12          HD11      ILE  12  -5.811  -1.171   5.906
   98   2HD1  ILE  12          HD12      ILE  12  -5.028  -2.406   4.919
   99   3HD1  ILE  12          HD13      ILE  12  -6.171  -2.876   6.177
  100    H    CYS  13           HN       CYS  13  -6.620   1.110   1.222
  101    HA   CYS  13           HA       CYS  13  -4.271   0.683  -0.319
  102   1HB   CYS  13          HB2       CYS  13  -6.567   1.369  -1.096
  103   2HB   CYS  13          HB1       CYS  13  -6.239   2.989  -0.477
  104    HG   CYS  13           HG       CYS  13  -4.590   1.686  -2.801
  105    H    GLU  14           HN       GLU  14  -5.223   3.534   1.650
  106    HA   GLU  14           HA       GLU  14  -2.916   5.133   1.063
  107   1HB   GLU  14          HB2       GLU  14  -5.095   5.845   2.123
  108   2HB   GLU  14          HB1       GLU  14  -4.580   5.038   3.606
  109   1HG   GLU  14          HG2       GLU  14  -2.627   6.494   3.772
  110   2HG   GLU  14          HG1       GLU  14  -3.022   7.247   2.227
  111    H    VAL  15           HN       VAL  15  -3.593   2.916   3.799
  112    HA   VAL  15           HA       VAL  15  -1.063   3.209   5.120
  113    HB   VAL  15           HB       VAL  15  -3.106   0.963   4.992
  114   1HG1  VAL  15          HG11      VAL  15  -2.013   0.443   7.305
  115   2HG1  VAL  15          HG12      VAL  15  -0.627   1.326   6.665
  116   3HG1  VAL  15          HG13      VAL  15  -1.205  -0.124   5.843
  117   1HG2  VAL  15          HG21      VAL  15  -4.278   2.147   6.526
  118   2HG2  VAL  15          HG22      VAL  15  -3.273   3.521   6.069
  119   3HG2  VAL  15          HG23      VAL  15  -2.828   2.526   7.456
  120    H    LEU  16           HN       LEU  16  -2.168   1.044   2.515
  121    HA   LEU  16           HA       LEU  16   0.129  -0.673   2.414
  122   1HB   LEU  16          HB2       LEU  16  -2.187  -0.901   1.334
  123   2HB   LEU  16          HB1       LEU  16  -1.607   0.209   0.093
  124    HG   LEU  16           HG       LEU  16   0.388  -1.808   0.489
  125   1HD1  LEU  16          HD11      LEU  16  -1.622  -3.088   1.390
  126   2HD1  LEU  16          HD12      LEU  16  -0.805  -3.832   0.016
  127   3HD1  LEU  16          HD13      LEU  16  -2.319  -2.960  -0.226
  128   1HD2  LEU  16          HD21      LEU  16  -1.517  -1.598  -1.845
  129   2HD2  LEU  16          HD22      LEU  16   0.189  -2.043  -1.859
  130   3HD2  LEU  16          HD23      LEU  16  -0.284  -0.371  -1.557
  131    H    SER  17           HN       SER  17  -0.581   2.472   0.886
  132    HA   SER  17           HA       SER  17   1.703   2.586  -0.853
  133   1HB   SER  17          HB2       SER  17  -0.509   4.074  -0.456
  134   2HB   SER  17          HB1       SER  17   0.629   5.047   0.471
  135    HG   SER  17           HG       SER  17   0.651   4.369  -2.269
  136    H    ASP  18           HN       ASP  18   1.204   3.698   2.511
  137    HA   ASP  18           HA       ASP  18   3.792   4.855   2.926
  138   1HB   ASP  18          HB2       ASP  18   1.625   4.945   4.332
  139   2HB   ASP  18          HB1       ASP  18   2.126   3.384   4.987
  140    H    PHE  19           HN       PHE  19   2.562   1.534   3.317
  141    HA   PHE  19           HA       PHE  19   4.926   0.372   4.468
  142   1HB   PHE  19          HB2       PHE  19   2.481  -0.480   4.237
  143   2HB   PHE  19          HB1       PHE  19   2.968  -1.018   2.630
  144    HD1  PHE  19           HD1      PHE  19   3.986  -1.222   6.231
  145    HD2  PHE  19           HD2      PHE  19   4.051  -3.082   2.360
  146    HE1  PHE  19           HE1      PHE  19   5.021  -3.246   7.221
  147    HE2  PHE  19           HE2      PHE  19   5.086  -5.106   3.350
  148    HZ   PHE  19           HZ       PHE  19   5.572  -5.188   5.780
  149    H    LYS  20           HN       LYS  20   3.927   0.987   1.107
  150    HA   LYS  20           HA       LYS  20   5.980  -0.572  -0.186
  151   1HB   LYS  20          HB2       LYS  20   3.817   0.424  -1.122
  152   2HB   LYS  20          HB1       LYS  20   4.659   1.974  -1.171
  153   1HG   LYS  20          HG2       LYS  20   6.499   0.669  -2.477
  154   2HG   LYS  20          HG1       LYS  20   5.235  -0.533  -2.741
  155   1HD   LYS  20          HD2       LYS  20   3.951   0.897  -4.041
  156   2HD   LYS  20          HD1       LYS  20   4.605   2.346  -3.279
  157   1HE   LYS  20          HE2       LYS  20   6.837   1.780  -4.387
  158   2HE   LYS  20          HE1       LYS  20   5.951   0.574  -5.339
  159   1HZ   LYS  20          HZ1       LYS  20   5.360   3.482  -5.166
  160   2HZ   LYS  20          HZ2       LYS  20   4.365   2.349  -5.950
  161   3HZ   LYS  20          HZ3       LYS  20   5.935   2.648  -6.527
  162    H    THR  21           HN       THR  21   5.782   2.900   0.685
  163    HA   THR  21           HA       THR  21   8.377   3.660  -0.277
  164    HB   THR  21           HB       THR  21   6.730   4.773   2.024
  165    HG1  THR  21           HG1      THR  21   6.688   5.588  -0.683
  166   1HG2  THR  21          HG21      THR  21   8.962   5.733   1.956
  167   2HG2  THR  21          HG22      THR  21   7.814   6.922   1.343
  168   3HG2  THR  21          HG23      THR  21   8.827   6.014   0.221
  169    H    TRP  22           HN       TRP  22   7.248   2.480   2.898
  170    HA   TRP  22           HA       TRP  22   9.710   2.772   4.330
  171   1HB   TRP  22          HB2       TRP  22   7.723   2.416   5.564
  172   2HB   TRP  22          HB1       TRP  22   7.230   1.062   4.550
  173    HD1  TRP  22           HD1      TRP  22   9.673   1.971   7.360
  174    HE1  TRP  22           HE1      TRP  22  10.464  -0.205   8.498
  175    HE3  TRP  22           HE3      TRP  22   7.552  -1.471   4.244
  176    HZ2  TRP  22           HZ2      TRP  22  10.224  -3.036   8.129
  177    HZ3  TRP  22           HZ3      TRP  22   7.846  -3.894   4.657
  178    HH2  TRP  22           HH2      TRP  22   9.178  -4.682   6.590
  179    H    LEU  23           HN       LEU  23   8.374   0.028   2.449
  180    HA   LEU  23           HA       LEU  23  10.451  -1.861   2.969
  181   1HB   LEU  23          HB2       LEU  23   8.172  -1.498   1.205
  182   2HB   LEU  23          HB1       LEU  23   9.508  -2.257   0.340
  183    HG   LEU  23           HG       LEU  23   8.988  -3.292   3.070
  184   1HD1  LEU  23          HD11      LEU  23   7.142  -4.749   2.206
  185   2HD1  LEU  23          HD12      LEU  23   7.093  -3.752   0.752
  186   3HD1  LEU  23          HD13      LEU  23   6.695  -3.047   2.320
  187   1HD2  LEU  23          HD21      LEU  23   9.576  -5.389   2.018
  188   2HD2  LEU  23          HD22      LEU  23  10.710  -4.166   1.445
  189   3HD2  LEU  23          HD23      LEU  23   9.381  -4.691   0.411
  190    H    LYS  24           HN       LYS  24  10.151   0.638   0.432
  191    HA   LYS  24           HA       LYS  24  12.519  -0.039  -1.043
  192   1HB   LYS  24          HB2       LYS  24  10.601   1.465  -1.719
  193   2HB   LYS  24          HB1       LYS  24  11.239   2.683  -0.614
  194   1HG   LYS  24          HG2       LYS  24  13.391   1.735  -2.259
  195   2HG   LYS  24          HG1       LYS  24  12.038   2.170  -3.304
  196   1HD   LYS  24          HD2       LYS  24  12.606   4.335  -3.049
  197   2HD   LYS  24          HD1       LYS  24  12.179   4.200  -1.344
  198   1HE   LYS  24          HE2       LYS  24  14.427   4.910  -1.242
  199   2HE   LYS  24          HE1       LYS  24  14.591   3.148  -1.111
  200   1HZ   LYS  24          HZ1       LYS  24  14.646   4.652  -3.677
  201   2HZ   LYS  24          HZ2       LYS  24  14.928   2.989  -3.467
  202   3HZ   LYS  24          HZ3       LYS  24  16.032   4.124  -2.854
  203    H    ALA  25           HN       ALA  25  11.967   2.140   1.731
  204    HA   ALA  25           HA       ALA  25  14.646   3.203   1.866
  205   1HB   ALA  25          HB1       ALA  25  12.656   2.820   4.120
  206   2HB   ALA  25          HB2       ALA  25  12.478   4.076   2.893
  207   3HB   ALA  25          HB3       ALA  25  13.876   4.085   3.970
  208    H    LYS  26           HN       LYS  26  13.037   0.446   3.485
  209    HA   LYS  26           HA       LYS  26  15.170  -0.316   5.225
  210   1HB   LYS  26          HB2       LYS  26  12.715  -1.488   4.038
  211   2HB   LYS  26          HB1       LYS  26  13.911  -2.659   4.593
  212   1HG   LYS  26          HG2       LYS  26  13.205  -0.355   6.380
  213   2HG   LYS  26          HG1       LYS  26  12.094  -1.719   6.269
  214   1HD   LYS  26          HD2       LYS  26  14.619  -2.902   6.520
  215   2HD   LYS  26          HD1       LYS  26  14.658  -1.541   7.640
  216   1HE   LYS  26          HE2       LYS  26  13.689  -3.169   9.005
  217   2HE   LYS  26          HE1       LYS  26  12.227  -2.468   8.283
  218   1HZ   LYS  26          HZ1       LYS  26  12.352  -4.927   8.070
  219   2HZ   LYS  26          HZ2       LYS  26  13.739  -4.742   7.105
  220   3HZ   LYS  26          HZ3       LYS  26  12.245  -4.126   6.578
  221    H    LEU  27           HN       LEU  27  14.554  -1.038   1.805
  222    HA   LEU  27           HA       LEU  27  16.765  -2.957   1.586
  223   1HB   LEU  27          HB2       LEU  27  14.545  -2.873   0.295
  224   2HB   LEU  27          HB1       LEU  27  15.243  -1.529  -0.610
  225    HG   LEU  27           HG       LEU  27  17.033  -3.853  -0.400
  226   1HD1  LEU  27          HD11      LEU  27  14.584  -4.135  -2.151
  227   2HD1  LEU  27          HD12      LEU  27  14.678  -4.862  -0.548
  228   3HD1  LEU  27          HD13      LEU  27  15.818  -5.345  -1.802
  229   1HD2  LEU  27          HD21      LEU  27  15.933  -2.210  -2.707
  230   2HD2  LEU  27          HD22      LEU  27  17.240  -3.388  -2.835
  231   3HD2  LEU  27          HD23      LEU  27  17.460  -1.928  -1.870
  232    H    MET  28           HN       MET  28  16.130   0.391   0.463
  233    HA   MET  28           HA       MET  28  19.058   0.914   0.467
  234   1HB   MET  28          HB2       MET  28  18.702   1.952  -1.874
  235   2HB   MET  28          HB1       MET  28  18.744   0.194  -1.777
  236   1HG   MET  28          HG2       MET  28  16.300   0.098  -1.808
  237   2HG   MET  28          HG1       MET  28  16.206   1.858  -1.788
  238   1HE   MET  28          HE1       MET  28  14.917   0.542  -5.140
  239   2HE   MET  28          HE2       MET  28  14.751   0.147  -3.430
  240   3HE   MET  28          HE3       MET  28  15.667  -0.923  -4.489
  241    HA   PRO  29           HA       PRO  29  16.800   4.479   2.176
  242   1HB   PRO  29          HB2       PRO  29  18.809   5.244   3.871
  243   2HB   PRO  29          HB1       PRO  29  17.640   3.970   4.271
  244   1HG   PRO  29          HG2       PRO  29  20.451   3.737   3.341
  245   2HG   PRO  29          HG1       PRO  29  19.555   2.739   4.496
  246   1HD   PRO  29          HD2       PRO  29  20.059   2.023   1.892
  247   2HD   PRO  29          HD1       PRO  29  18.715   1.389   2.867
  248    H    GLN  30           HN       GLN  30  17.970   6.846   2.629
  249    HA   GLN  30           HA       GLN  30  18.719   7.868   0.066
  250   1HB   GLN  30          HB2       GLN  30  19.346   9.902   1.456
  251   2HB   GLN  30          HB1       GLN  30  17.722   9.284   1.746
  252   1HG   GLN  30          HG2       GLN  30  18.205   8.657   3.885
  253   2HG   GLN  30          HG1       GLN  30  19.822   8.095   3.461
  254   1HE2  GLN  30          HE21      GLN  30  18.035  10.742   4.819
  255   2HE2  GLN  30          HE22      GLN  30  19.343  11.811   4.983
  256    H    LEU  31           HN       LEU  31  20.675   7.853  -0.966
  257    HA   LEU  31           HA       LEU  31  23.206   7.826   0.565
  258   1HB   LEU  31          HB2       LEU  31  21.908   5.461  -0.408
  259   2HB   LEU  31          HB1       LEU  31  23.373   5.713  -1.358
  260    HG   LEU  31           HG       LEU  31  23.836   6.220   1.474
  261   1HD1  LEU  31          HD11      LEU  31  23.635   3.875   2.215
  262   2HD1  LEU  31          HD12      LEU  31  22.926   3.442   0.660
  263   3HD1  LEU  31          HD13      LEU  31  22.062   4.525   1.751
  264   1HD2  LEU  31          HD21      LEU  31  25.550   5.834  -0.317
  265   2HD2  LEU  31          HD22      LEU  31  24.999   4.162  -0.429
  266   3HD2  LEU  31          HD23      LEU  31  25.735   4.750   1.062
  Start of MODEL   16
    1   1H    SER   1           HT1      SER   1 -19.545   8.273   1.764
    2   2H    SER   1           HT2      SER   1 -18.292   9.091   0.959
    3   3H    SER   1           HT3      SER   1 -18.228   8.880   2.644
    4    HA   SER   1           HA       SER   1 -18.073   6.705   0.613
    5   1HB   SER   1          HB2       SER   1 -16.190   8.563   1.771
    6   2HB   SER   1          HB1       SER   1 -15.790   6.928   2.288
    7    HG   SER   1           HG       SER   1 -15.520   6.325   0.220
    8    H    GLY   2           HN       GLY   2 -16.930   4.783   1.948
    9   1HA   GLY   2          HA2       GLY   2 -16.883   3.463   3.964
   10   2HA   GLY   2          HA1       GLY   2 -18.085   4.543   4.673
   11    H    SER   3           HN       SER   3 -17.670   2.017   2.194
   12    HA   SER   3           HA       SER   3 -20.589   1.377   2.500
   13   1HB   SER   3          HB2       SER   3 -20.365   0.570   0.116
   14   2HB   SER   3          HB1       SER   3 -20.101   2.301   0.310
   15    HG   SER   3           HG       SER   3 -18.146   2.014  -0.399
   16    H    TRP   4           HN       TRP   4 -17.776  -0.320   1.062
   17    HA   TRP   4           HA       TRP   4 -17.886  -2.437   3.115
   18   1HB   TRP   4          HB2       TRP   4 -19.613  -2.576   0.992
   19   2HB   TRP   4          HB1       TRP   4 -18.227  -3.450   0.349
   20    HD1  TRP   4           HD1      TRP   4 -20.979  -4.876   1.101
   21    HE1  TRP   4           HE1      TRP   4 -20.976  -6.771   2.844
   22    HE3  TRP   4           HE3      TRP   4 -16.610  -3.836   3.552
   23    HZ2  TRP   4           HZ2      TRP   4 -19.347  -7.724   4.988
   24    HZ3  TRP   4           HZ3      TRP   4 -15.864  -5.255   5.436
   25    HH2  TRP   4           HH2      TRP   4 -17.224  -7.195   6.158
   26    H    LEU   5           HN       LEU   5 -16.619  -4.288   1.021
   27    HA   LEU   5           HA       LEU   5 -13.880  -3.768   1.509
   28   1HB   LEU   5          HB2       LEU   5 -15.549  -5.483  -0.211
   29   2HB   LEU   5          HB1       LEU   5 -13.947  -5.166  -0.877
   30    HG   LEU   5           HG       LEU   5 -13.042  -5.768   1.456
   31   1HD1  LEU   5          HD11      LEU   5 -14.970  -5.726   2.823
   32   2HD1  LEU   5          HD12      LEU   5 -14.652  -7.445   2.594
   33   3HD1  LEU   5          HD13      LEU   5 -15.922  -6.652   1.661
   34   1HD2  LEU   5          HD21      LEU   5 -12.613  -7.328  -0.260
   35   2HD2  LEU   5          HD22      LEU   5 -14.323  -7.707  -0.467
   36   3HD2  LEU   5          HD23      LEU   5 -13.457  -8.290   0.954
   37    H    ARG   6           HN       ARG   6 -16.018  -2.512  -0.997
   38    HA   ARG   6           HA       ARG   6 -14.116  -1.554  -2.891
   39   1HB   ARG   6          HB2       ARG   6 -16.886  -1.460  -2.396
   40   2HB   ARG   6          HB1       ARG   6 -16.383   0.227  -2.468
   41   1HG   ARG   6          HG2       ARG   6 -15.225  -1.525  -4.558
   42   2HG   ARG   6          HG1       ARG   6 -16.967  -1.270  -4.667
   43   1HD   ARG   6          HD2       ARG   6 -16.409   0.664  -5.752
   44   2HD   ARG   6          HD1       ARG   6 -16.032   1.283  -4.133
   45    HE   ARG   6           HE       ARG   6 -13.783  -0.209  -5.031
   46   1HH1  ARG   6          HH11      ARG   6 -14.637   1.292  -7.563
   47   2HH1  ARG   6          HH12      ARG   6 -13.678   2.727  -7.431
   48   1HH2  ARG   6          HH21      ARG   6 -12.925   2.228  -4.073
   49   2HH2  ARG   6          HH22      ARG   6 -12.704   3.261  -5.445
   50    H    ASP   7           HN       ASP   7 -15.255  -0.165   0.173
   51    HA   ASP   7           HA       ASP   7 -13.520   2.232  -0.222
   52   1HB   ASP   7          HB2       ASP   7 -15.937   1.483   1.370
   53   2HB   ASP   7          HB1       ASP   7 -14.869   2.713   2.047
   54    H    ILE   8           HN       ILE   8 -13.926  -0.645   1.810
   55    HA   ILE   8           HA       ILE   8 -12.207   0.045   3.972
   56    HB   ILE   8           HB       ILE   8 -13.788  -2.064   3.251
   57   1HG1  ILE   8          HG12      ILE   8 -11.993  -3.066   5.223
   58   2HG1  ILE   8          HG11      ILE   8 -12.104  -1.322   5.451
   59   1HG2  ILE   8          HG21      ILE   8 -12.030  -2.956   1.723
   60   2HG2  ILE   8          HG22      ILE   8 -12.415  -4.070   3.034
   61   3HG2  ILE   8          HG23      ILE   8 -10.941  -3.104   3.103
   62   1HD1  ILE   8          HD11      ILE   8 -14.682  -2.662   4.914
   63   2HD1  ILE   8          HD12      ILE   8 -14.284  -1.418   6.099
   64   3HD1  ILE   8          HD13      ILE   8 -13.919  -3.109   6.440
   65    H    TRP   9           HN       TRP   9 -11.454  -1.047   0.687
   66    HA   TRP   9           HA       TRP   9  -8.689  -1.734   1.125
   67   1HB   TRP   9          HB2       TRP   9 -10.238  -0.734  -1.289
   68   2HB   TRP   9          HB1       TRP   9  -8.587  -1.337  -1.376
   69    HD1  TRP   9           HD1      TRP   9  -9.451  -3.605   1.012
   70    HE1  TRP   9           HE1      TRP   9 -10.587  -5.747   0.138
   71    HE3  TRP   9           HE3      TRP   9 -10.953  -1.993  -3.597
   72    HZ2  TRP   9           HZ2      TRP   9 -11.950  -6.658  -2.205
   73    HZ3  TRP   9           HZ3      TRP   9 -12.167  -3.517  -5.127
   74    HH2  TRP   9           HH2      TRP   9 -12.667  -5.846  -4.438
   75    H    ASP  10           HN       ASP  10 -10.359   1.311   0.331
   76    HA   ASP  10           HA       ASP  10  -8.050   2.936  -0.154
   77   1HB   ASP  10          HB2       ASP  10 -10.517   3.400  -0.608
   78   2HB   ASP  10          HB1       ASP  10 -10.679   3.768   1.110
   79    H    TRP  11           HN       TRP  11  -9.890   2.284   2.853
   80    HA   TRP  11           HA       TRP  11  -8.329   3.978   4.563
   81   1HB   TRP  11          HB2       TRP  11  -9.998   3.327   5.950
   82   2HB   TRP  11          HB1       TRP  11 -10.566   2.240   4.693
   83    HD1  TRP  11           HD1      TRP  11 -10.641  -0.205   5.325
   84    HE1  TRP  11           HE1      TRP  11  -9.570  -1.687   7.140
   85    HE3  TRP  11           HE3      TRP  11  -7.551   3.205   7.542
   86    HZ2  TRP  11           HZ2      TRP  11  -7.660  -1.459   9.252
   87    HZ3  TRP  11           HZ3      TRP  11  -6.119   2.541   9.452
   88    HH2  TRP  11           HH2      TRP  11  -6.170   0.218  10.310
   89    H    ILE  12           HN       ILE  12  -7.928   0.589   3.543
   90    HA   ILE  12           HA       ILE  12  -5.670   0.081   5.324
   91    HB   ILE  12           HB       ILE  12  -7.010  -1.278   2.986
   92   1HG1  ILE  12          HG12      ILE  12  -8.043  -1.470   5.202
   93   2HG1  ILE  12          HG11      ILE  12  -7.384  -3.030   4.714
   94   1HG2  ILE  12          HG21      ILE  12  -4.739  -1.857   2.558
   95   2HG2  ILE  12          HG22      ILE  12  -5.394  -3.215   3.473
   96   3HG2  ILE  12          HG23      ILE  12  -4.376  -2.019   4.276
   97   1HD1  ILE  12          HD11      ILE  12  -5.282  -2.424   6.011
   98   2HD1  ILE  12          HD12      ILE  12  -6.718  -2.692   6.999
   99   3HD1  ILE  12          HD13      ILE  12  -6.174  -1.049   6.661
  100    H    CYS  13           HN       CYS  13  -6.055   0.975   1.887
  101    HA   CYS  13           HA       CYS  13  -3.304   0.805   1.135
  102   1HB   CYS  13          HB2       CYS  13  -5.379   1.035  -0.313
  103   2HB   CYS  13          HB1       CYS  13  -5.392   2.747   0.108
  104    HG   CYS  13           HG       CYS  13  -3.805   1.732  -2.100
  105    H    GLU  14           HN       GLU  14  -5.134   3.386   2.753
  106    HA   GLU  14           HA       GLU  14  -3.246   5.512   2.448
  107   1HB   GLU  14          HB2       GLU  14  -5.716   5.030   3.689
  108   2HB   GLU  14          HB1       GLU  14  -4.638   5.462   5.017
  109   1HG   GLU  14          HG2       GLU  14  -4.552   7.113   2.517
  110   2HG   GLU  14          HG1       GLU  14  -5.901   7.341   3.630
  111    H    VAL  15           HN       VAL  15  -3.662   3.179   5.143
  112    HA   VAL  15           HA       VAL  15  -1.216   4.048   6.495
  113    HB   VAL  15           HB       VAL  15  -3.103   1.687   6.808
  114   1HG1  VAL  15          HG11      VAL  15  -2.017   1.678   9.167
  115   2HG1  VAL  15          HG12      VAL  15  -0.696   2.563   8.402
  116   3HG1  VAL  15          HG13      VAL  15  -1.115   0.944   7.840
  117   1HG2  VAL  15          HG21      VAL  15  -2.780   4.258   8.392
  118   2HG2  VAL  15          HG22      VAL  15  -3.951   2.982   8.724
  119   3HG2  VAL  15          HG23      VAL  15  -4.076   3.928   7.242
  120    H    LEU  16           HN       LEU  16  -2.031   1.647   4.065
  121    HA   LEU  16           HA       LEU  16   0.400   0.050   4.457
  122   1HB   LEU  16          HB2       LEU  16  -1.872  -0.743   3.636
  123   2HB   LEU  16          HB1       LEU  16  -1.538   0.106   2.127
  124    HG   LEU  16           HG       LEU  16   0.654  -1.247   2.053
  125   1HD1  LEU  16          HD11      LEU  16  -0.855  -2.617   4.277
  126   2HD1  LEU  16          HD12      LEU  16   0.843  -2.147   4.227
  127   3HD1  LEU  16          HD13      LEU  16   0.279  -3.515   3.267
  128   1HD2  LEU  16          HD21      LEU  16  -1.994  -2.717   1.843
  129   2HD2  LEU  16          HD22      LEU  16  -0.492  -3.178   1.042
  130   3HD2  LEU  16          HD23      LEU  16  -1.306  -1.679   0.595
  131    H    SER  17           HN       SER  17  -0.550   2.828   2.504
  132    HA   SER  17           HA       SER  17   1.420   2.605   0.433
  133   1HB   SER  17          HB2       SER  17  -0.423   4.614   1.559
  134   2HB   SER  17          HB1       SER  17   1.005   5.304   0.792
  135    HG   SER  17           HG       SER  17  -1.139   4.398  -0.391
  136    H    ASP  18           HN       ASP  18   1.519   4.640   3.414
  137    HA   ASP  18           HA       ASP  18   4.249   5.445   3.088
  138   1HB   ASP  18          HB2       ASP  18   4.050   6.062   5.482
  139   2HB   ASP  18          HB1       ASP  18   2.608   6.534   4.585
  140    H    PHE  19           HN       PHE  19   2.804   2.507   4.378
  141    HA   PHE  19           HA       PHE  19   5.241   1.525   5.662
  142   1HB   PHE  19          HB2       PHE  19   2.791   0.978   6.193
  143   2HB   PHE  19          HB1       PHE  19   2.801  -0.023   4.740
  144    HD1  PHE  19           HD1      PHE  19   3.960  -2.133   4.671
  145    HD2  PHE  19           HD2      PHE  19   4.297   0.431   8.102
  146    HE1  PHE  19           HE1      PHE  19   5.022  -3.978   5.945
  147    HE2  PHE  19           HE2      PHE  19   5.359  -1.414   9.375
  148    HZ   PHE  19           HZ       PHE  19   5.722  -3.617   8.297
  149    H    LYS  20           HN       LYS  20   3.579   1.049   2.536
  150    HA   LYS  20           HA       LYS  20   5.461  -0.980   1.594
  151   1HB   LYS  20          HB2       LYS  20   2.987  -0.565   0.967
  152   2HB   LYS  20          HB1       LYS  20   3.598   0.731  -0.063
  153   1HG   LYS  20          HG2       LYS  20   4.974  -0.832  -1.312
  154   2HG   LYS  20          HG1       LYS  20   4.558  -2.141  -0.206
  155   1HD   LYS  20          HD2       LYS  20   3.046  -2.556  -1.913
  156   2HD   LYS  20          HD1       LYS  20   2.079  -1.493  -0.890
  157   1HE   LYS  20          HE2       LYS  20   2.022   0.133  -2.478
  158   2HE   LYS  20          HE1       LYS  20   3.765  -0.004  -2.783
  159   1HZ   LYS  20          HZ1       LYS  20   3.396  -1.970  -4.083
  160   2HZ   LYS  20          HZ2       LYS  20   2.386  -0.743  -4.685
  161   3HZ   LYS  20          HZ3       LYS  20   1.740  -1.976  -3.712
  162    H    THR  21           HN       THR  21   5.049   2.544   1.130
  163    HA   THR  21           HA       THR  21   7.001   2.887  -0.928
  164    HB   THR  21           HB       THR  21   5.208   4.485   0.140
  165    HG1  THR  21           HG1      THR  21   7.790   5.307  -0.694
  166   1HG2  THR  21          HG21      THR  21   6.051   6.039   1.782
  167   2HG2  THR  21          HG22      THR  21   7.651   5.298   1.736
  168   3HG2  THR  21          HG23      THR  21   6.287   4.410   2.412
  169    H    TRP  22           HN       TRP  22   7.334   2.661   2.605
  170    HA   TRP  22           HA       TRP  22  10.161   3.372   2.648
  171   1HB   TRP  22          HB2       TRP  22   8.572   3.620   4.559
  172   2HB   TRP  22          HB1       TRP  22   8.409   1.865   4.627
  173    HD1  TRP  22           HD1      TRP  22  10.683   4.694   5.629
  174    HE1  TRP  22           HE1      TRP  22  12.678   3.762   6.970
  175    HE3  TRP  22           HE3      TRP  22  10.011  -0.303   4.854
  176    HZ2  TRP  22           HZ2      TRP  22  13.835   1.227   7.629
  177    HZ3  TRP  22           HZ3      TRP  22  11.566  -1.954   5.845
  178    HH2  TRP  22           HH2      TRP  22  13.474  -1.198   7.230
  179    H    LEU  23           HN       LEU  23   8.298   0.316   2.747
  180    HA   LEU  23           HA       LEU  23  10.543  -1.463   2.943
  181   1HB   LEU  23          HB2       LEU  23   7.660  -1.545   2.489
  182   2HB   LEU  23          HB1       LEU  23   8.493  -2.762   1.527
  183    HG   LEU  23           HG       LEU  23   7.973  -3.788   3.632
  184   1HD1  LEU  23          HD11      LEU  23  10.367  -3.990   2.671
  185   2HD1  LEU  23          HD12      LEU  23  10.110  -4.501   4.340
  186   3HD1  LEU  23          HD13      LEU  23  10.844  -2.934   4.000
  187   1HD2  LEU  23          HD21      LEU  23   9.462  -2.156   5.477
  188   2HD2  LEU  23          HD22      LEU  23   7.749  -2.572   5.512
  189   3HD2  LEU  23          HD23      LEU  23   8.290  -1.147   4.629
  190    H    LYS  24           HN       LYS  24   8.783  -0.139   0.125
  191    HA   LYS  24           HA       LYS  24  10.190  -1.625  -1.893
  192   1HB   LYS  24          HB2       LYS  24   8.012  -0.159  -1.915
  193   2HB   LYS  24          HB1       LYS  24   9.119   1.167  -2.271
  194   1HG   LYS  24          HG2       LYS  24   9.726  -1.160  -3.904
  195   2HG   LYS  24          HG1       LYS  24   8.048  -0.659  -4.115
  196   1HD   LYS  24          HD2       LYS  24   8.797   1.656  -4.558
  197   2HD   LYS  24          HD1       LYS  24  10.476   1.144  -4.365
  198   1HE   LYS  24          HE2       LYS  24  10.313  -0.335  -6.291
  199   2HE   LYS  24          HE1       LYS  24   8.573  -0.020  -6.433
  200   1HZ   LYS  24          HZ1       LYS  24   9.977   1.388  -7.913
  201   2HZ   LYS  24          HZ2       LYS  24  10.650   2.105  -6.528
  202   3HZ   LYS  24          HZ3       LYS  24   8.990   2.276  -6.856
  203    H    ALA  25           HN       ALA  25  10.988   1.333  -0.121
  204    HA   ALA  25           HA       ALA  25  13.086   2.269  -1.876
  205   1HB   ALA  25          HB1       ALA  25  12.600   2.625   1.102
  206   2HB   ALA  25          HB2       ALA  25  11.946   3.649  -0.176
  207   3HB   ALA  25          HB3       ALA  25  13.683   3.618   0.127
  208    H    LYS  26           HN       LYS  26  13.059   0.177   1.018
  209    HA   LYS  26           HA       LYS  26  15.973  -0.312   0.806
  210   1HB   LYS  26          HB2       LYS  26  14.402  -0.019   2.910
  211   2HB   LYS  26          HB1       LYS  26  14.074  -1.734   2.654
  212   1HG   LYS  26          HG2       LYS  26  16.067  -2.314   3.528
  213   2HG   LYS  26          HG1       LYS  26  16.916  -1.208   2.450
  214   1HD   LYS  26          HD2       LYS  26  15.546   0.349   4.425
  215   2HD   LYS  26          HD1       LYS  26  16.455  -0.917   5.251
  216   1HE   LYS  26          HE2       LYS  26  18.471  -0.255   3.847
  217   2HE   LYS  26          HE1       LYS  26  17.534   1.154   3.312
  218   1HZ   LYS  26          HZ1       LYS  26  17.128   1.667   5.685
  219   2HZ   LYS  26          HZ2       LYS  26  18.769   1.761   5.262
  220   3HZ   LYS  26          HZ3       LYS  26  18.187   0.415   6.118
  221    H    LEU  27           HN       LEU  27  13.077  -1.680  -0.448
  222    HA   LEU  27           HA       LEU  27  12.640  -3.652  -1.646
  223   1HB   LEU  27          HB2       LEU  27  15.206  -2.729  -2.258
  224   2HB   LEU  27          HB1       LEU  27  15.445  -4.444  -1.925
  225    HG   LEU  27           HG       LEU  27  13.417  -4.850  -3.457
  226   1HD1  LEU  27          HD11      LEU  27  14.130  -2.019  -4.292
  227   2HD1  LEU  27          HD12      LEU  27  12.642  -2.493  -3.472
  228   3HD1  LEU  27          HD13      LEU  27  12.974  -3.076  -5.102
  229   1HD2  LEU  27          HD21      LEU  27  15.726  -5.364  -4.127
  230   2HD2  LEU  27          HD22      LEU  27  15.976  -3.683  -4.600
  231   3HD2  LEU  27          HD23      LEU  27  14.836  -4.689  -5.492
  232    H    MET  28           HN       MET  28  12.337  -4.025   1.030
  233    HA   MET  28           HA       MET  28  13.843  -6.520   1.723
  234   1HB   MET  28          HB2       MET  28  13.198  -4.148   3.108
  235   2HB   MET  28          HB1       MET  28  12.162  -5.393   3.807
  236   1HG   MET  28          HG2       MET  28  14.299  -6.844   3.909
  237   2HG   MET  28          HG1       MET  28  15.175  -5.334   3.650
  238   1HE   MET  28          HE1       MET  28  14.337  -3.096   6.509
  239   2HE   MET  28          HE2       MET  28  14.494  -3.237   4.761
  240   3HE   MET  28          HE3       MET  28  15.829  -3.727   5.801
  241    HA   PRO  29           HA       PRO  29  10.043  -8.696   0.951
  242   1HB   PRO  29          HB2       PRO  29  10.792 -11.106   2.008
  243   2HB   PRO  29          HB1       PRO  29  11.365 -10.523   0.433
  244   1HG   PRO  29          HG2       PRO  29  12.753 -10.558   3.058
  245   2HG   PRO  29          HG1       PRO  29  13.401 -10.815   1.433
  246   1HD   PRO  29          HD2       PRO  29  13.655  -8.478   2.857
  247   2HD   PRO  29          HD1       PRO  29  13.746  -8.591   1.086
  248    H    GLN  30           HN       GLN  30   8.748 -10.461   2.509
  249    HA   GLN  30           HA       GLN  30   8.043  -8.911   4.915
  250   1HB   GLN  30          HB2       GLN  30   6.818 -10.737   3.081
  251   2HB   GLN  30          HB1       GLN  30   6.680 -11.428   4.697
  252   1HG   GLN  30          HG2       GLN  30   5.534  -9.527   5.536
  253   2HG   GLN  30          HG1       GLN  30   6.001  -8.537   4.151
  254   1HE2  GLN  30          HE21      GLN  30   4.122 -11.542   4.872
  255   2HE2  GLN  30          HE22      GLN  30   2.966 -11.278   3.658
  256    H    LEU  31           HN       LEU  31   9.962  -9.233   6.227
  257    HA   LEU  31           HA       LEU  31  10.073 -11.929   7.519
  258   1HB   LEU  31          HB2       LEU  31  11.812 -11.689   5.737
  259   2HB   LEU  31          HB1       LEU  31  12.443 -10.275   6.583
  260    HG   LEU  31           HG       LEU  31  12.126 -12.612   8.331
  261   1HD1  LEU  31          HD11      LEU  31  14.080 -13.822   7.399
  262   2HD1  LEU  31          HD12      LEU  31  14.093 -12.720   6.022
  263   3HD1  LEU  31          HD13      LEU  31  12.727 -13.808   6.268
  264   1HD2  LEU  31          HD21      LEU  31  14.448 -10.789   7.619
  265   2HD2  LEU  31          HD22      LEU  31  14.436 -11.943   8.954
  266   3HD2  LEU  31          HD23      LEU  31  13.333 -10.566   8.966
  Start of MODEL   17
    1   1H    SER   1           HT1      SER   1 -22.827  -7.666   4.910
    2   2H    SER   1           HT2      SER   1 -23.922  -6.501   5.486
    3   3H    SER   1           HT3      SER   1 -22.357  -6.038   5.011
    4    HA   SER   1           HA       SER   1 -24.391  -7.186   3.161
    5   1HB   SER   1          HB2       SER   1 -23.567  -4.356   3.865
    6   2HB   SER   1          HB1       SER   1 -24.491  -4.755   2.420
    7    HG   SER   1           HG       SER   1 -26.004  -4.349   3.936
    8    H    GLY   2           HN       GLY   2 -23.652  -7.194   0.972
    9   1HA   GLY   2          HA2       GLY   2 -20.727  -7.290   0.671
   10   2HA   GLY   2          HA1       GLY   2 -21.911  -7.741  -0.556
   11    H    SER   3           HN       SER   3 -20.066  -6.340  -1.691
   12    HA   SER   3           HA       SER   3 -19.577  -4.377  -2.899
   13   1HB   SER   3          HB2       SER   3 -22.264  -4.826  -2.944
   14   2HB   SER   3          HB1       SER   3 -22.224  -3.203  -2.260
   15    HG   SER   3           HG       SER   3 -22.210  -2.965  -4.456
   16    H    TRP   4           HN       TRP   4 -18.854  -4.376  -0.080
   17    HA   TRP   4           HA       TRP   4 -19.110  -1.443   0.506
   18   1HB   TRP   4          HB2       TRP   4 -20.286  -3.411   1.924
   19   2HB   TRP   4          HB1       TRP   4 -18.712  -3.399   2.720
   20    HD1  TRP   4           HD1      TRP   4 -21.770  -1.204   2.070
   21    HE1  TRP   4           HE1      TRP   4 -21.717   0.800   3.691
   22    HE3  TRP   4           HE3      TRP   4 -17.162  -1.884   4.166
   23    HZ2  TRP   4           HZ2      TRP   4 -19.953   1.961   5.620
   24    HZ3  TRP   4           HZ3      TRP   4 -16.321  -0.315   5.889
   25    HH2  TRP   4           HH2      TRP   4 -17.709   1.605   6.618
   26    H    LEU   5           HN       LEU   5 -16.940  -3.391  -0.739
   27    HA   LEU   5           HA       LEU   5 -14.698  -2.874   1.140
   28   1HB   LEU   5          HB2       LEU   5 -15.242  -4.589  -1.253
   29   2HB   LEU   5          HB1       LEU   5 -13.565  -4.168  -0.905
   30    HG   LEU   5           HG       LEU   5 -14.446  -4.854   1.587
   31   1HD1  LEU   5          HD11      LEU   5 -15.572  -7.179   0.956
   32   2HD1  LEU   5          HD12      LEU   5 -16.122  -6.269  -0.451
   33   3HD1  LEU   5          HD13      LEU   5 -16.551  -5.728   1.171
   34   1HD2  LEU   5          HD21      LEU   5 -13.280  -7.010   1.180
   35   2HD2  LEU   5          HD22      LEU   5 -12.388  -5.648   0.505
   36   3HD2  LEU   5          HD23      LEU   5 -13.333  -6.696  -0.554
   37    H    ARG   6           HN       ARG   6 -16.213  -1.294  -1.466
   38    HA   ARG   6           HA       ARG   6 -13.961  -0.221  -2.905
   39   1HB   ARG   6          HB2       ARG   6 -16.534  -0.289  -3.385
   40   2HB   ARG   6          HB1       ARG   6 -16.578   1.213  -2.460
   41   1HG   ARG   6          HG2       ARG   6 -14.696   2.035  -4.003
   42   2HG   ARG   6          HG1       ARG   6 -15.079   0.650  -5.025
   43   1HD   ARG   6          HD2       ARG   6 -16.347   2.545  -5.862
   44   2HD   ARG   6          HD1       ARG   6 -17.496   1.470  -5.043
   45    HE   ARG   6           HE       ARG   6 -17.704   3.078  -3.301
   46   1HH1  ARG   6          HH11      ARG   6 -17.257   5.137  -5.436
   47   2HH1  ARG   6          HH12      ARG   6 -15.985   6.097  -4.759
   48   1HH2  ARG   6          HH21      ARG   6 -15.097   3.713  -2.387
   49   2HH2  ARG   6          HH22      ARG   6 -14.758   5.287  -3.025
   50    H    ASP   7           HN       ASP   7 -15.124   0.436   0.283
   51    HA   ASP   7           HA       ASP   7 -13.630   3.038   0.350
   52   1HB   ASP   7          HB2       ASP   7 -16.109   3.015   0.837
   53   2HB   ASP   7          HB1       ASP   7 -15.773   1.975   2.222
   54    H    ILE   8           HN       ILE   8 -14.289   0.020   2.149
   55    HA   ILE   8           HA       ILE   8 -12.426   0.447   4.283
   56    HB   ILE   8           HB       ILE   8 -14.386  -1.257   3.885
   57   1HG1  ILE   8          HG12      ILE   8 -12.004  -2.538   5.175
   58   2HG1  ILE   8          HG11      ILE   8 -12.595  -1.011   5.831
   59   1HG2  ILE   8          HG21      ILE   8 -13.802  -3.389   3.024
   60   2HG2  ILE   8          HG22      ILE   8 -12.077  -3.019   3.052
   61   3HG2  ILE   8          HG23      ILE   8 -13.127  -2.242   1.867
   62   1HD1  ILE   8          HD11      ILE   8 -14.155  -3.587   5.499
   63   2HD1  ILE   8          HD12      ILE   8 -14.902  -2.044   5.917
   64   3HD1  ILE   8          HD13      ILE   8 -13.731  -2.783   7.010
   65    H    TRP   9           HN       TRP   9 -11.963  -0.679   0.968
   66    HA   TRP   9           HA       TRP   9  -9.378  -1.912   1.398
   67   1HB   TRP   9          HB2       TRP   9  -9.418  -2.227  -0.920
   68   2HB   TRP   9          HB1       TRP   9 -11.130  -2.117  -0.535
   69    HD1  TRP   9           HD1      TRP   9 -11.765   0.842  -0.478
   70    HE1  TRP   9           HE1      TRP   9 -11.441   2.380  -2.522
   71    HE3  TRP   9           HE3      TRP   9  -8.405  -1.920  -3.135
   72    HZ2  TRP   9           HZ2      TRP   9  -9.956   2.428  -4.965
   73    HZ3  TRP   9           HZ3      TRP   9  -7.550  -1.113  -5.317
   74    HH2  TRP   9           HH2      TRP   9  -8.323   1.057  -6.236
   75    H    ASP  10           HN       ASP  10 -10.413   1.407   0.970
   76    HA   ASP  10           HA       ASP  10  -7.785   2.423   0.179
   77   1HB   ASP  10          HB2       ASP  10 -10.450   3.304   0.221
   78   2HB   ASP  10          HB1       ASP  10  -9.629   4.327   1.401
   79    H    TRP  11           HN       TRP  11  -9.636   2.060   3.190
   80    HA   TRP  11           HA       TRP  11  -7.871   3.556   4.894
   81   1HB   TRP  11          HB2       TRP  11  -9.637   3.103   6.235
   82   2HB   TRP  11          HB1       TRP  11 -10.261   1.979   5.037
   83    HD1  TRP  11           HD1      TRP  11 -10.450  -0.431   5.789
   84    HE1  TRP  11           HE1      TRP  11  -9.472  -1.856   7.699
   85    HE3  TRP  11           HE3      TRP  11  -7.232   2.952   7.862
   86    HZ2  TRP  11           HZ2      TRP  11  -7.579  -1.599   9.824
   87    HZ3  TRP  11           HZ3      TRP  11  -5.855   2.331   9.825
   88    HH2  TRP  11           HH2      TRP  11  -6.026   0.065  10.810
   89    H    ILE  12           HN       ILE  12  -7.806   0.211   3.694
   90    HA   ILE  12           HA       ILE  12  -5.492  -0.477   5.414
   91    HB   ILE  12           HB       ILE  12  -7.309  -1.869   3.453
   92   1HG1  ILE  12          HG12      ILE  12  -8.043  -1.787   5.754
   93   2HG1  ILE  12          HG11      ILE  12  -7.505  -3.432   5.426
   94   1HG2  ILE  12          HG21      ILE  12  -4.593  -2.812   4.387
   95   2HG2  ILE  12          HG22      ILE  12  -5.239  -2.792   2.745
   96   3HG2  ILE  12          HG23      ILE  12  -5.860  -3.949   3.923
   97   1HD1  ILE  12          HD11      ILE  12  -5.204  -2.634   6.328
   98   2HD1  ILE  12          HD12      ILE  12  -6.492  -2.928   7.497
   99   3HD1  ILE  12          HD13      ILE  12  -6.106  -1.278   7.008
  100    H    CYS  13           HN       CYS  13  -6.170   0.399   2.043
  101    HA   CYS  13           HA       CYS  13  -3.510  -0.298   1.067
  102   1HB   CYS  13          HB2       CYS  13  -5.613  -0.216  -0.293
  103   2HB   CYS  13          HB1       CYS  13  -5.642   1.535  -0.080
  104    HG   CYS  13           HG       CYS  13  -3.695   1.790  -1.657
  105    H    GLU  14           HN       GLU  14  -5.139   2.748   2.006
  106    HA   GLU  14           HA       GLU  14  -3.001   4.537   1.368
  107   1HB   GLU  14          HB2       GLU  14  -5.435   5.019   1.916
  108   2HB   GLU  14          HB1       GLU  14  -5.029   4.761   3.612
  109   1HG   GLU  14          HG2       GLU  14  -3.056   6.512   2.767
  110   2HG   GLU  14          HG1       GLU  14  -4.483   7.074   1.895
  111    H    VAL  15           HN       VAL  15  -3.802   2.879   4.452
  112    HA   VAL  15           HA       VAL  15  -1.594   3.981   5.945
  113    HB   VAL  15           HB       VAL  15  -3.711   2.944   6.838
  114   1HG1  VAL  15          HG11      VAL  15  -3.696   0.975   5.293
  115   2HG1  VAL  15          HG12      VAL  15  -3.880   0.522   6.986
  116   3HG1  VAL  15          HG13      VAL  15  -2.320   0.328   6.186
  117   1HG2  VAL  15          HG21      VAL  15  -2.388   3.038   8.670
  118   2HG2  VAL  15          HG22      VAL  15  -0.971   2.493   7.772
  119   3HG2  VAL  15          HG23      VAL  15  -2.113   1.314   8.416
  120    H    LEU  16           HN       LEU  16  -1.907   1.144   3.845
  121    HA   LEU  16           HA       LEU  16   0.729   0.067   4.605
  122   1HB   LEU  16          HB2       LEU  16  -1.449  -1.155   3.832
  123   2HB   LEU  16          HB1       LEU  16  -0.926  -0.716   2.207
  124    HG   LEU  16           HG       LEU  16   1.298  -1.793   3.718
  125   1HD1  LEU  16          HD11      LEU  16  -1.050  -3.673   3.354
  126   2HD1  LEU  16          HD12      LEU  16  -0.605  -2.961   4.903
  127   3HD1  LEU  16          HD13      LEU  16   0.515  -4.046   4.077
  128   1HD2  LEU  16          HD21      LEU  16   1.210  -3.436   1.760
  129   2HD2  LEU  16          HD22      LEU  16   1.350  -1.732   1.325
  130   3HD2  LEU  16          HD23      LEU  16  -0.208  -2.549   1.202
  131    H    SER  17           HN       SER  17  -0.584   2.257   2.192
  132    HA   SER  17           HA       SER  17   1.427   2.025   0.170
  133   1HB   SER  17          HB2       SER  17  -0.615   3.998   1.069
  134   2HB   SER  17          HB1       SER  17   0.662   4.618   0.027
  135    HG   SER  17           HG       SER  17  -0.867   3.857  -1.336
  136    H    ASP  18           HN       ASP  18   1.189   4.381   2.883
  137    HA   ASP  18           HA       ASP  18   3.740   5.611   2.473
  138   1HB   ASP  18          HB2       ASP  18   1.568   5.655   4.332
  139   2HB   ASP  18          HB1       ASP  18   3.052   5.465   5.265
  140    H    PHE  19           HN       PHE  19   2.761   2.683   4.204
  141    HA   PHE  19           HA       PHE  19   5.352   2.168   5.430
  142   1HB   PHE  19          HB2       PHE  19   2.659   0.992   5.227
  143   2HB   PHE  19          HB1       PHE  19   3.939  -0.213   5.338
  144    HD1  PHE  19           HD1      PHE  19   2.451   2.763   6.986
  145    HD2  PHE  19           HD2      PHE  19   5.191  -0.525   7.358
  146    HE1  PHE  19           HE1      PHE  19   2.665   3.215   9.415
  147    HE2  PHE  19           HE2      PHE  19   5.405  -0.073   9.787
  148    HZ   PHE  19           HZ       PHE  19   4.141   1.798  10.815
  149    H    LYS  20           HN       LYS  20   3.698   1.106   2.450
  150    HA   LYS  20           HA       LYS  20   5.659  -0.892   1.707
  151   1HB   LYS  20          HB2       LYS  20   3.245  -0.651   0.946
  152   2HB   LYS  20          HB1       LYS  20   3.776   0.693  -0.065
  153   1HG   LYS  20          HG2       LYS  20   3.770  -1.285  -1.447
  154   2HG   LYS  20          HG1       LYS  20   5.454  -0.875  -1.121
  155   1HD   LYS  20          HD2       LYS  20   5.783  -2.896  -0.191
  156   2HD   LYS  20          HD1       LYS  20   4.518  -2.569   0.994
  157   1HE   LYS  20          HE2       LYS  20   2.831  -3.546  -0.360
  158   2HE   LYS  20          HE1       LYS  20   3.845  -3.480  -1.814
  159   1HZ   LYS  20          HZ1       LYS  20   4.553  -5.033   0.621
  160   2HZ   LYS  20          HZ2       LYS  20   5.339  -5.069  -0.887
  161   3HZ   LYS  20          HZ3       LYS  20   3.774  -5.710  -0.725
  162    H    THR  21           HN       THR  21   5.185   2.541   0.785
  163    HA   THR  21           HA       THR  21   7.252   2.754  -1.154
  164    HB   THR  21           HB       THR  21   6.237   4.754   0.902
  165    HG1  THR  21           HG1      THR  21   4.511   4.513  -0.263
  166   1HG2  THR  21          HG21      THR  21   7.018   6.471  -0.649
  167   2HG2  THR  21          HG22      THR  21   7.596   5.235  -1.766
  168   3HG2  THR  21          HG23      THR  21   8.371   5.433  -0.194
  169    H    TRP  22           HN       TRP  22   7.386   3.124   2.401
  170    HA   TRP  22           HA       TRP  22  10.215   3.751   2.516
  171   1HB   TRP  22          HB2       TRP  22   8.501   4.293   4.252
  172   2HB   TRP  22          HB1       TRP  22   8.316   2.571   4.579
  173    HD1  TRP  22           HD1      TRP  22  10.489   5.530   5.351
  174    HE1  TRP  22           HE1      TRP  22  12.387   4.822   6.946
  175    HE3  TRP  22           HE3      TRP  22   9.942   0.460   5.174
  176    HZ2  TRP  22           HZ2      TRP  22  13.523   2.415   8.007
  177    HZ3  TRP  22           HZ3      TRP  22  11.438  -1.017   6.481
  178    HH2  TRP  22           HH2      TRP  22  13.224  -0.049   7.896
  179    H    LEU  23           HN       LEU  23   8.315   0.747   2.993
  180    HA   LEU  23           HA       LEU  23  10.511  -0.980   3.613
  181   1HB   LEU  23          HB2       LEU  23   7.677  -1.139   2.926
  182   2HB   LEU  23          HB1       LEU  23   8.581  -2.488   2.247
  183    HG   LEU  23           HG       LEU  23   7.859  -3.154   4.445
  184   1HD1  LEU  23          HD11      LEU  23   9.875  -3.941   5.204
  185   2HD1  LEU  23          HD12      LEU  23  10.639  -2.354   5.142
  186   3HD1  LEU  23          HD13      LEU  23  10.436  -3.292   3.663
  187   1HD2  LEU  23          HD21      LEU  23   7.490  -1.613   6.042
  188   2HD2  LEU  23          HD22      LEU  23   8.233  -0.377   5.028
  189   3HD2  LEU  23          HD23      LEU  23   9.224  -1.309   6.150
  190    H    LYS  24           HN       LYS  24   9.080  -0.007   0.490
  191    HA   LYS  24           HA       LYS  24  10.774  -1.801  -1.076
  192   1HB   LYS  24          HB2       LYS  24   8.428  -0.610  -1.522
  193   2HB   LYS  24          HB1       LYS  24   9.462   0.651  -2.196
  194   1HG   LYS  24          HG2       LYS  24   9.110  -0.704  -4.063
  195   2HG   LYS  24          HG1       LYS  24  10.624  -1.357  -3.437
  196   1HD   LYS  24          HD2       LYS  24   8.138  -2.532  -2.308
  197   2HD   LYS  24          HD1       LYS  24   8.470  -2.903  -4.000
  198   1HE   LYS  24          HE2       LYS  24  10.872  -3.489  -3.201
  199   2HE   LYS  24          HE1       LYS  24  10.159  -3.542  -1.576
  200   1HZ   LYS  24          HZ1       LYS  24   9.168  -5.028  -3.955
  201   2HZ   LYS  24          HZ2       LYS  24   8.461  -5.056  -2.409
  202   3HZ   LYS  24          HZ3       LYS  24  10.011  -5.708  -2.650
  203    H    ALA  25           HN       ALA  25  10.854   1.651  -0.171
  204    HA   ALA  25           HA       ALA  25  13.127   2.371  -1.798
  205   1HB   ALA  25          HB1       ALA  25  12.027   3.501   0.801
  206   2HB   ALA  25          HB2       ALA  25  11.532   3.978  -0.823
  207   3HB   ALA  25          HB3       ALA  25  13.164   4.334  -0.259
  208    H    LYS  26           HN       LYS  26  12.784   1.216   1.558
  209    HA   LYS  26           HA       LYS  26  15.689   1.275   2.047
  210   1HB   LYS  26          HB2       LYS  26  13.880   1.758   3.741
  211   2HB   LYS  26          HB1       LYS  26  13.412   0.061   3.650
  212   1HG   LYS  26          HG2       LYS  26  16.297   0.516   4.099
  213   2HG   LYS  26          HG1       LYS  26  15.253   1.050   5.416
  214   1HD   LYS  26          HD2       LYS  26  14.408  -1.100   5.799
  215   2HD   LYS  26          HD1       LYS  26  14.831  -1.661   4.181
  216   1HE   LYS  26          HE2       LYS  26  17.073  -0.787   5.969
  217   2HE   LYS  26          HE1       LYS  26  16.313  -2.357   6.292
  218   1HZ   LYS  26          HZ1       LYS  26  18.166  -2.391   4.608
  219   2HZ   LYS  26          HZ2       LYS  26  17.151  -1.502   3.573
  220   3HZ   LYS  26          HZ3       LYS  26  16.698  -3.059   4.081
  221    H    LEU  27           HN       LEU  27  13.283  -0.995   0.916
  222    HA   LEU  27           HA       LEU  27  13.448  -3.186   0.108
  223   1HB   LEU  27          HB2       LEU  27  16.326  -2.296   0.230
  224   2HB   LEU  27          HB1       LEU  27  15.917  -3.940  -0.255
  225    HG   LEU  27           HG       LEU  27  14.140  -2.278  -1.674
  226   1HD1  LEU  27          HD11      LEU  27  15.599  -0.368  -1.136
  227   2HD1  LEU  27          HD12      LEU  27  15.677  -0.750  -2.856
  228   3HD1  LEU  27          HD13      LEU  27  16.988  -1.241  -1.783
  229   1HD2  LEU  27          HD21      LEU  27  16.728  -3.417  -2.749
  230   2HD2  LEU  27          HD22      LEU  27  15.183  -3.247  -3.584
  231   3HD2  LEU  27          HD23      LEU  27  15.367  -4.447  -2.305
  232    H    MET  28           HN       MET  28  12.748  -4.731   1.482
  233    HA   MET  28           HA       MET  28  14.197  -5.210   4.044
  234   1HB   MET  28          HB2       MET  28  11.587  -4.847   3.516
  235   2HB   MET  28          HB1       MET  28  11.659  -6.595   3.294
  236   1HG   MET  28          HG2       MET  28  13.039  -6.438   5.585
  237   2HG   MET  28          HG1       MET  28  12.066  -4.978   5.769
  238   1HE   MET  28          HE1       MET  28  12.049  -8.586   4.636
  239   2HE   MET  28          HE2       MET  28  10.740  -9.337   5.546
  240   3HE   MET  28          HE3       MET  28  12.164  -8.741   6.395
  241    HA   PRO  29           HA       PRO  29  15.908  -8.773   1.880
  242   1HB   PRO  29          HB2       PRO  29  17.704  -9.430   3.837
  243   2HB   PRO  29          HB1       PRO  29  17.987  -8.127   2.667
  244   1HG   PRO  29          HG2       PRO  29  17.101  -7.967   5.500
  245   2HG   PRO  29          HG1       PRO  29  18.184  -6.901   4.592
  246   1HD   PRO  29          HD2       PRO  29  15.564  -6.321   5.139
  247   2HD   PRO  29          HD1       PRO  29  16.463  -5.655   3.760
  248    H    GLN  30           HN       GLN  30  16.341 -11.150   2.751
  249    HA   GLN  30           HA       GLN  30  13.891 -12.030   4.120
  250   1HB   GLN  30          HB2       GLN  30  15.934 -13.069   2.338
  251   2HB   GLN  30          HB1       GLN  30  15.683 -14.176   3.685
  252   1HG   GLN  30          HG2       GLN  30  13.807 -14.912   2.686
  253   2HG   GLN  30          HG1       GLN  30  13.108 -13.304   2.882
  254   1HE2  GLN  30          HE21      GLN  30  12.985 -11.940   1.010
  255   2HE2  GLN  30          HE22      GLN  30  13.469 -12.452  -0.536
  256    H    LEU  31           HN       LEU  31  14.193 -11.262   6.294
  257    HA   LEU  31           HA       LEU  31  16.306 -12.728   7.842
  258   1HB   LEU  31          HB2       LEU  31  16.199 -10.011   7.299
  259   2HB   LEU  31          HB1       LEU  31  15.448 -10.117   8.892
  260    HG   LEU  31           HG       LEU  31  17.527 -11.751   9.332
  261   1HD1  LEU  31          HD11      LEU  31  18.705  -9.713   7.434
  262   2HD1  LEU  31          HD12      LEU  31  18.260 -11.337   6.906
  263   3HD1  LEU  31          HD13      LEU  31  19.494 -11.120   8.148
  264   1HD2  LEU  31          HD21      LEU  31  18.674  -9.836  10.345
  265   2HD2  LEU  31          HD22      LEU  31  16.934  -9.677  10.584
  266   3HD2  LEU  31          HD23      LEU  31  17.744  -8.723   9.342
  Start of MODEL   18
    1   1H    SER   1           HT1      SER   1 -25.140  -0.364   5.761
    2   2H    SER   1           HT2      SER   1 -23.779  -0.068   6.735
    3   3H    SER   1           HT3      SER   1 -24.059  -1.624   6.113
    4    HA   SER   1           HA       SER   1 -22.288  -0.313   4.921
    5   1HB   SER   1          HB2       SER   1 -24.741  -1.203   3.370
    6   2HB   SER   1          HB1       SER   1 -23.076  -1.222   2.799
    7    HG   SER   1           HG       SER   1 -23.641  -3.270   3.539
    8    H    GLY   2           HN       GLY   2 -23.299   1.972   5.956
    9   1HA   GLY   2          HA2       GLY   2 -24.671   3.488   3.804
   10   2HA   GLY   2          HA1       GLY   2 -24.392   4.059   5.450
   11    H    SER   3           HN       SER   3 -23.163   4.004   2.238
   12    HA   SER   3           HA       SER   3 -21.259   4.993   1.248
   13   1HB   SER   3          HB2       SER   3 -22.510   6.803   2.678
   14   2HB   SER   3          HB1       SER   3 -21.100   6.688   3.729
   15    HG   SER   3           HG       SER   3 -19.835   7.429   2.133
   16    H    TRP   4           HN       TRP   4 -20.740   2.653   2.941
   17    HA   TRP   4           HA       TRP   4 -17.919   3.279   3.734
   18   1HB   TRP   4          HB2       TRP   4 -20.204   2.235   5.296
   19   2HB   TRP   4          HB1       TRP   4 -18.711   1.317   5.494
   20    HD1  TRP   4           HD1      TRP   4 -20.402   4.035   7.065
   21    HE1  TRP   4           HE1      TRP   4 -18.786   5.641   8.273
   22    HE3  TRP   4           HE3      TRP   4 -15.980   2.598   4.948
   23    HZ2  TRP   4           HZ2      TRP   4 -15.990   6.238   8.331
   24    HZ3  TRP   4           HZ3      TRP   4 -13.859   3.702   5.597
   25    HH2  TRP   4           HH2      TRP   4 -13.858   5.518   7.285
   26    H    LEU   5           HN       LEU   5 -17.130   0.722   4.423
   27    HA   LEU   5           HA       LEU   5 -16.451  -1.356   3.561
   28   1HB   LEU   5          HB2       LEU   5 -19.052  -0.943   2.056
   29   2HB   LEU   5          HB1       LEU   5 -18.100  -2.419   1.933
   30    HG   LEU   5           HG       LEU   5 -18.722  -1.420   4.675
   31   1HD1  LEU   5          HD11      LEU   5 -20.864  -1.203   3.397
   32   2HD1  LEU   5          HD12      LEU   5 -20.934  -2.433   4.658
   33   3HD1  LEU   5          HD13      LEU   5 -20.740  -2.910   2.971
   34   1HD2  LEU   5          HD21      LEU   5 -18.597  -4.141   3.334
   35   2HD2  LEU   5          HD22      LEU   5 -18.923  -3.886   5.048
   36   3HD2  LEU   5          HD23      LEU   5 -17.362  -3.426   4.371
   37    H    ARG   6           HN       ARG   6 -17.874   0.270   0.692
   38    HA   ARG   6           HA       ARG   6 -15.898  -0.488  -1.182
   39   1HB   ARG   6          HB2       ARG   6 -17.795   1.837  -0.870
   40   2HB   ARG   6          HB1       ARG   6 -16.704   1.769  -2.252
   41   1HG   ARG   6          HG2       ARG   6 -18.279   0.487  -3.249
   42   2HG   ARG   6          HG1       ARG   6 -17.756  -0.798  -2.159
   43   1HD   ARG   6          HD2       ARG   6 -20.054  -0.719  -1.697
   44   2HD   ARG   6          HD1       ARG   6 -19.431   0.399  -0.470
   45    HE   ARG   6           HE       ARG   6 -20.229   1.487  -3.134
   46   1HH1  ARG   6          HH11      ARG   6 -19.464   2.974  -0.493
   47   2HH1  ARG   6          HH12      ARG   6 -21.021   3.561  -0.022
   48   1HH2  ARG   6          HH21      ARG   6 -22.761   1.480  -2.188
   49   2HH2  ARG   6          HH22      ARG   6 -22.894   2.716  -0.983
   50    H    ASP   7           HN       ASP   7 -15.882   2.116   1.213
   51    HA   ASP   7           HA       ASP   7 -13.319   3.200   0.168
   52   1HB   ASP   7          HB2       ASP   7 -15.595   4.323   1.204
   53   2HB   ASP   7          HB1       ASP   7 -14.549   4.291   2.625
   54    H    ILE   8           HN       ILE   8 -14.504   1.102   2.723
   55    HA   ILE   8           HA       ILE   8 -12.472   1.504   4.685
   56    HB   ILE   8           HB       ILE   8 -14.733   0.101   4.580
   57   1HG1  ILE   8          HG12      ILE   8 -13.739  -1.313   6.517
   58   2HG1  ILE   8          HG11      ILE   8 -12.250  -0.423   6.203
   59   1HG2  ILE   8          HG21      ILE   8 -12.724  -2.134   4.298
   60   2HG2  ILE   8          HG22      ILE   8 -13.590  -1.505   2.898
   61   3HG2  ILE   8          HG23      ILE   8 -14.483  -2.224   4.236
   62   1HD1  ILE   8          HD11      ILE   8 -13.877   0.553   7.964
   63   2HD1  ILE   8          HD12      ILE   8 -14.871   1.018   6.584
   64   3HD1  ILE   8          HD13      ILE   8 -13.235   1.655   6.745
   65    H    TRP   9           HN       TRP   9 -12.437  -0.319   1.654
   66    HA   TRP   9           HA       TRP   9  -9.969  -1.765   2.230
   67   1HB   TRP   9          HB2       TRP   9 -11.512  -1.114  -0.304
   68   2HB   TRP   9          HB1       TRP   9 -10.112  -2.185  -0.264
   69    HD1  TRP   9           HD1      TRP   9 -10.521  -3.973   2.125
   70    HE1  TRP   9           HE1      TRP   9 -12.540  -5.559   2.355
   71    HE3  TRP   9           HE3      TRP   9 -13.783  -1.722  -1.096
   72    HZ2  TRP   9           HZ2      TRP   9 -15.190  -5.835   1.311
   73    HZ3  TRP   9           HZ3      TRP   9 -16.044  -2.668  -1.459
   74    HH2  TRP   9           HH2      TRP   9 -16.751  -4.720  -0.261
   75    H    ASP  10           HN       ASP  10 -10.841   1.266   0.590
   76    HA   ASP  10           HA       ASP  10  -8.259   1.907  -0.487
   77   1HB   ASP  10          HB2       ASP  10 -10.206   3.056  -1.267
   78   2HB   ASP  10          HB1       ASP  10 -10.704   3.479   0.370
   79    H    TRP  11           HN       TRP  11  -9.816   2.703   2.637
   80    HA   TRP  11           HA       TRP  11  -7.729   4.345   3.689
   81   1HB   TRP  11          HB2       TRP  11  -9.399   4.544   5.199
   82   2HB   TRP  11          HB1       TRP  11 -10.236   3.187   4.463
   83    HD1  TRP  11           HD1      TRP  11 -10.640   1.230   6.007
   84    HE1  TRP  11           HE1      TRP  11  -9.610   0.346   8.196
   85    HE3  TRP  11           HE3      TRP  11  -6.793   4.543   6.576
   86    HZ2  TRP  11           HZ2      TRP  11  -7.444   0.960   9.957
   87    HZ3  TRP  11           HZ3      TRP  11  -5.266   4.367   8.518
   88    HH2  TRP  11           HH2      TRP  11  -5.585   2.584  10.208
   89    H    ILE  12           HN       ILE  12  -8.183   0.802   3.767
   90    HA   ILE  12           HA       ILE  12  -5.805   0.375   5.440
   91    HB   ILE  12           HB       ILE  12  -7.848  -1.305   3.991
   92   1HG1  ILE  12          HG12      ILE  12  -8.462  -0.473   6.183
   93   2HG1  ILE  12          HG11      ILE  12  -8.131  -2.197   6.331
   94   1HG2  ILE  12          HG21      ILE  12  -5.863  -2.572   3.565
   95   2HG2  ILE  12          HG22      ILE  12  -6.621  -3.318   4.972
   96   3HG2  ILE  12          HG23      ILE  12  -5.230  -2.254   5.180
   97   1HD1  ILE  12          HD11      ILE  12  -6.393   0.120   7.187
   98   2HD1  ILE  12          HD12      ILE  12  -5.724  -1.494   6.955
   99   3HD1  ILE  12          HD13      ILE  12  -6.981  -1.227   8.162
  100    H    CYS  13           HN       CYS  13  -6.641   0.059   1.986
  101    HA   CYS  13           HA       CYS  13  -4.202  -1.124   1.092
  102   1HB   CYS  13          HB2       CYS  13  -6.382  -0.876  -0.144
  103   2HB   CYS  13          HB1       CYS  13  -6.010   0.835  -0.358
  104    HG   CYS  13           HG       CYS  13  -4.943  -1.336  -2.094
  105    H    GLU  14           HN       GLU  14  -5.107   2.312   1.533
  106    HA   GLU  14           HA       GLU  14  -2.745   3.456   0.367
  107   1HB   GLU  14          HB2       GLU  14  -4.882   4.632   0.880
  108   2HB   GLU  14          HB1       GLU  14  -4.539   4.470   2.602
  109   1HG   GLU  14          HG2       GLU  14  -3.893   6.709   1.720
  110   2HG   GLU  14          HG1       GLU  14  -2.511   5.820   2.360
  111    H    VAL  15           HN       VAL  15  -3.527   2.639   3.770
  112    HA   VAL  15           HA       VAL  15  -1.059   3.489   4.941
  113    HB   VAL  15           HB       VAL  15  -3.088   1.343   5.656
  114   1HG1  VAL  15          HG11      VAL  15  -1.107   0.748   6.857
  115   2HG1  VAL  15          HG12      VAL  15  -2.108   1.649   7.997
  116   3HG1  VAL  15          HG13      VAL  15  -0.735   2.435   7.217
  117   1HG2  VAL  15          HG21      VAL  15  -3.479   4.005   5.560
  118   2HG2  VAL  15          HG22      VAL  15  -2.757   3.895   7.166
  119   3HG2  VAL  15          HG23      VAL  15  -4.224   2.991   6.795
  120    H    LEU  16           HN       LEU  16  -2.013   0.412   3.414
  121    HA   LEU  16           HA       LEU  16   0.345  -1.086   4.124
  122   1HB   LEU  16          HB2       LEU  16  -1.820  -2.035   3.358
  123   2HB   LEU  16          HB1       LEU  16  -1.555  -1.328   1.764
  124    HG   LEU  16           HG       LEU  16   0.717  -2.637   1.850
  125   1HD1  LEU  16          HD11      LEU  16  -0.956  -4.360   3.694
  126   2HD1  LEU  16          HD12      LEU  16   0.303  -3.274   4.282
  127   3HD1  LEU  16          HD13      LEU  16   0.722  -4.610   3.210
  128   1HD2  LEU  16          HD21      LEU  16  -1.231  -3.074   0.325
  129   2HD2  LEU  16          HD22      LEU  16  -1.890  -4.159   1.548
  130   3HD2  LEU  16          HD23      LEU  16  -0.353  -4.536   0.772
  131    H    SER  17           HN       SER  17  -0.501   0.808   1.186
  132    HA   SER  17           HA       SER  17   1.914   0.268  -0.265
  133   1HB   SER  17          HB2       SER  17  -0.417   1.460  -0.829
  134   2HB   SER  17          HB1       SER  17   0.516   2.910  -0.474
  135    HG   SER  17           HG       SER  17   1.082   0.883  -2.383
  136    H    ASP  18           HN       ASP  18   1.060   2.835   2.064
  137    HA   ASP  18           HA       ASP  18   3.430   4.411   1.861
  138   1HB   ASP  18          HB2       ASP  18   1.169   4.741   3.127
  139   2HB   ASP  18          HB1       ASP  18   1.946   3.847   4.434
  140    H    PHE  19           HN       PHE  19   2.673   1.525   3.817
  141    HA   PHE  19           HA       PHE  19   5.150   1.406   5.279
  142   1HB   PHE  19          HB2       PHE  19   2.851   0.221   5.603
  143   2HB   PHE  19          HB1       PHE  19   3.463  -0.961   4.446
  144    HD1  PHE  19           HD1      PHE  19   4.168   0.666   7.723
  145    HD2  PHE  19           HD2      PHE  19   5.071  -2.597   5.080
  146    HE1  PHE  19           HE1      PHE  19   5.469  -0.434   9.525
  147    HE2  PHE  19           HE2      PHE  19   6.372  -3.697   6.883
  148    HZ   PHE  19           HZ       PHE  19   6.572  -2.614   9.105
  149    H    LYS  20           HN       LYS  20   4.105   0.056   2.143
  150    HA   LYS  20           HA       LYS  20   6.519  -1.493   1.686
  151   1HB   LYS  20          HB2       LYS  20   4.160  -1.717   0.664
  152   2HB   LYS  20          HB1       LYS  20   4.617  -0.375  -0.387
  153   1HG   LYS  20          HG2       LYS  20   5.163  -2.332  -1.623
  154   2HG   LYS  20          HG1       LYS  20   6.701  -1.756  -0.979
  155   1HD   LYS  20          HD2       LYS  20   5.978  -3.347   1.063
  156   2HD   LYS  20          HD1       LYS  20   5.122  -4.175  -0.237
  157   1HE   LYS  20          HE2       LYS  20   8.043  -3.409  -0.502
  158   2HE   LYS  20          HE1       LYS  20   7.535  -4.959   0.197
  159   1HZ   LYS  20          HZ1       LYS  20   6.781  -3.897  -2.478
  160   2HZ   LYS  20          HZ2       LYS  20   6.157  -5.323  -1.794
  161   3HZ   LYS  20          HZ3       LYS  20   7.809  -5.212  -2.173
  162    H    THR  21           HN       THR  21   5.395   1.746   0.665
  163    HA   THR  21           HA       THR  21   7.616   2.420  -1.014
  164    HB   THR  21           HB       THR  21   5.773   4.113   0.715
  165    HG1  THR  21           HG1      THR  21   4.411   3.467  -0.734
  166   1HG2  THR  21          HG21      THR  21   6.392   5.739  -1.316
  167   2HG2  THR  21          HG22      THR  21   7.884   4.800  -1.283
  168   3HG2  THR  21          HG23      THR  21   7.365   5.683   0.154
  169    H    TRP  22           HN       TRP  22   7.059   2.865   2.487
  170    HA   TRP  22           HA       TRP  22   9.454   4.323   3.077
  171   1HB   TRP  22          HB2       TRP  22   7.687   4.278   4.674
  172   2HB   TRP  22          HB1       TRP  22   7.573   2.519   4.618
  173    HD1  TRP  22           HD1      TRP  22   9.766   5.340   6.002
  174    HE1  TRP  22           HE1      TRP  22  11.249   4.381   7.880
  175    HE3  TRP  22           HE3      TRP  22   8.640   0.380   5.571
  176    HZ2  TRP  22           HZ2      TRP  22  11.874   1.842   9.048
  177    HZ3  TRP  22           HZ3      TRP  22   9.689  -1.285   7.075
  178    HH2  TRP  22           HH2      TRP  22  11.303  -0.564   8.808
  179    H    LEU  23           HN       LEU  23   8.755   0.807   3.079
  180    HA   LEU  23           HA       LEU  23  11.311  -0.065   4.039
  181   1HB   LEU  23          HB2       LEU  23   8.871  -1.157   2.875
  182   2HB   LEU  23          HB1       LEU  23  10.297  -2.028   2.310
  183    HG   LEU  23           HG       LEU  23  10.367  -1.413   5.181
  184   1HD1  LEU  23          HD11      LEU  23   8.738  -3.365   5.621
  185   2HD1  LEU  23          HD12      LEU  23   8.136  -3.060   3.991
  186   3HD1  LEU  23          HD13      LEU  23   8.032  -1.799   5.221
  187   1HD2  LEU  23          HD21      LEU  23  10.574  -4.017   3.638
  188   2HD2  LEU  23          HD22      LEU  23  11.117  -3.730   5.292
  189   3HD2  LEU  23          HD23      LEU  23  11.928  -2.929   3.947
  190    H    LYS  24           HN       LYS  24  10.117   0.579   0.737
  191    HA   LYS  24           HA       LYS  24  12.518  -0.370  -0.601
  192   1HB   LYS  24          HB2       LYS  24   9.961   0.216  -1.317
  193   2HB   LYS  24          HB1       LYS  24  10.770   1.687  -1.857
  194   1HG   LYS  24          HG2       LYS  24  11.781  -1.078  -2.559
  195   2HG   LYS  24          HG1       LYS  24  10.643  -0.193  -3.576
  196   1HD   LYS  24          HD2       LYS  24  12.418   1.751  -3.344
  197   2HD   LYS  24          HD1       LYS  24  13.518   0.424  -2.972
  198   1HE   LYS  24          HE2       LYS  24  11.748   0.478  -5.444
  199   2HE   LYS  24          HE1       LYS  24  13.441   1.007  -5.432
  200   1HZ   LYS  24          HZ1       LYS  24  13.625  -1.232  -5.943
  201   2HZ   LYS  24          HZ2       LYS  24  12.340  -1.686  -4.929
  202   3HZ   LYS  24          HZ3       LYS  24  13.840  -1.245  -4.259
  203    H    ALA  25           HN       ALA  25  11.322   2.859   0.371
  204    HA   ALA  25           HA       ALA  25  13.598   4.304  -0.724
  205   1HB   ALA  25          HB1       ALA  25  11.619   5.119   1.428
  206   2HB   ALA  25          HB2       ALA  25  11.255   5.158  -0.298
  207   3HB   ALA  25          HB3       ALA  25  12.527   6.190   0.359
  208    H    LYS  26           HN       LYS  26  12.758   3.030   2.500
  209    HA   LYS  26           HA       LYS  26  14.983   4.273   3.887
  210   1HB   LYS  26          HB2       LYS  26  12.783   3.418   4.831
  211   2HB   LYS  26          HB1       LYS  26  13.418   1.785   4.630
  212   1HG   LYS  26          HG2       LYS  26  15.395   3.414   5.946
  213   2HG   LYS  26          HG1       LYS  26  13.860   3.558   6.801
  214   1HD   LYS  26          HD2       LYS  26  13.704   1.197   7.128
  215   2HD   LYS  26          HD1       LYS  26  14.999   0.882   5.971
  216   1HE   LYS  26          HE2       LYS  26  16.132   0.678   8.022
  217   2HE   LYS  26          HE1       LYS  26  16.431   2.381   7.625
  218   1HZ   LYS  26          HZ1       LYS  26  15.572   2.347   9.820
  219   2HZ   LYS  26          HZ2       LYS  26  14.321   1.277   9.401
  220   3HZ   LYS  26          HZ3       LYS  26  14.302   2.878   8.831
  221    H    LEU  27           HN       LEU  27  14.570   1.213   2.140
  222    HA   LEU  27           HA       LEU  27  17.054   0.053   3.176
  223   1HB   LEU  27          HB2       LEU  27  15.008  -1.220   2.466
  224   2HB   LEU  27          HB1       LEU  27  15.327  -0.734   0.803
  225    HG   LEU  27           HG       LEU  27  17.773  -1.752   1.761
  226   1HD1  LEU  27          HD11      LEU  27  16.780  -4.152   2.283
  227   2HD1  LEU  27          HD12      LEU  27  15.384  -3.220   2.826
  228   3HD1  LEU  27          HD13      LEU  27  16.961  -2.960   3.572
  229   1HD2  LEU  27          HD21      LEU  27  17.008  -1.998  -0.523
  230   2HD2  LEU  27          HD22      LEU  27  15.606  -2.934  -0.003
  231   3HD2  LEU  27          HD23      LEU  27  17.225  -3.616   0.145
  232    H    MET  28           HN       MET  28  16.307   0.346  -0.307
  233    HA   MET  28           HA       MET  28  18.400   2.272  -0.878
  234   1HB   MET  28          HB2       MET  28  19.364  -0.154  -0.140
  235   2HB   MET  28          HB1       MET  28  19.160  -0.430  -1.870
  236   1HG   MET  28          HG2       MET  28  20.628   1.335  -2.442
  237   2HG   MET  28          HG1       MET  28  20.539   2.044  -0.830
  238   1HE   MET  28          HE1       MET  28  24.167   1.140  -0.596
  239   2HE   MET  28          HE2       MET  28  22.901   2.125   0.136
  240   3HE   MET  28          HE3       MET  28  23.118   2.139  -1.614
  241    HA   PRO  29           HA       PRO  29  15.607   1.886  -4.399
  242   1HB   PRO  29          HB2       PRO  29  16.179   4.345  -5.456
  243   2HB   PRO  29          HB1       PRO  29  15.060   4.114  -4.099
  244   1HG   PRO  29          HG2       PRO  29  17.878   5.048  -4.088
  245   2HG   PRO  29          HG1       PRO  29  16.517   5.548  -3.074
  246   1HD   PRO  29          HD2       PRO  29  18.508   3.830  -2.270
  247   2HD   PRO  29          HD1       PRO  29  16.881   3.889  -1.558
  248    H    GLN  30           HN       GLN  30  16.027   2.134  -6.848
  249    HA   GLN  30           HA       GLN  30  18.286   0.662  -7.695
  250   1HB   GLN  30          HB2       GLN  30  17.611   1.440  -9.950
  251   2HB   GLN  30          HB1       GLN  30  16.207   0.993  -8.984
  252   1HG   GLN  30          HG2       GLN  30  15.896   3.402  -8.391
  253   2HG   GLN  30          HG1       GLN  30  17.234   3.807  -9.466
  254   1HE2  GLN  30          HE21      GLN  30  13.873   2.699  -9.380
  255   2HE2  GLN  30          HE22      GLN  30  13.593   2.869 -11.045
  256    H    LEU  31           HN       LEU  31  20.388   1.216  -8.187
  257    HA   LEU  31           HA       LEU  31  21.117   4.076  -8.577
  258   1HB   LEU  31          HB2       LEU  31  21.163   3.169  -6.098
  259   2HB   LEU  31          HB1       LEU  31  22.662   2.398  -6.617
  260    HG   LEU  31           HG       LEU  31  23.239   4.782  -7.558
  261   1HD1  LEU  31          HD11      LEU  31  20.837   5.531  -6.923
  262   2HD1  LEU  31          HD12      LEU  31  22.169   6.616  -6.525
  263   3HD1  LEU  31          HD13      LEU  31  21.451   5.603  -5.272
  264   1HD2  LEU  31          HD21      LEU  31  23.214   4.377  -4.555
  265   2HD2  LEU  31          HD22      LEU  31  24.388   5.286  -5.505
  266   3HD2  LEU  31          HD23      LEU  31  24.325   3.529  -5.631
  Start of MODEL   19
    1   1H    SER   1           HT1      SER   1 -22.483   4.917  -5.983
    2   2H    SER   1           HT2      SER   1 -21.823   5.318  -4.469
    3   3H    SER   1           HT3      SER   1 -23.483   4.989  -4.615
    4    HA   SER   1           HA       SER   1 -22.981   2.678  -5.227
    5   1HB   SER   1          HB2       SER   1 -20.691   3.609  -6.112
    6   2HB   SER   1          HB1       SER   1 -20.135   3.324  -4.465
    7    HG   SER   1           HG       SER   1 -21.214   1.462  -6.316
    8    H    GLY   2           HN       GLY   2 -20.894   4.287  -2.769
    9   1HA   GLY   2          HA2       GLY   2 -22.070   4.235  -0.433
   10   2HA   GLY   2          HA1       GLY   2 -22.089   2.493  -0.708
   11    H    SER   3           HN       SER   3 -20.761   2.635   1.381
   12    HA   SER   3           HA       SER   3 -17.865   3.122   0.751
   13   1HB   SER   3          HB2       SER   3 -19.461   3.305   3.326
   14   2HB   SER   3          HB1       SER   3 -17.709   3.472   3.242
   15    HG   SER   3           HG       SER   3 -18.310   5.507   2.975
   16    H    TRP   4           HN       TRP   4 -18.752   0.689  -0.062
   17    HA   TRP   4           HA       TRP   4 -18.465  -1.297   2.109
   18   1HB   TRP   4          HB2       TRP   4 -19.907  -1.137  -0.218
   19   2HB   TRP   4          HB1       TRP   4 -18.555  -2.142  -0.728
   20    HD1  TRP   4           HD1      TRP   4 -21.588  -3.177  -0.317
   21    HE1  TRP   4           HE1      TRP   4 -22.001  -5.155   1.281
   22    HE3  TRP   4           HE3      TRP   4 -17.328  -2.950   2.514
   23    HZ2  TRP   4           HZ2      TRP   4 -20.707  -6.467   3.463
   24    HZ3  TRP   4           HZ3      TRP   4 -16.953  -4.577   4.339
   25    HH2  TRP   4           HH2      TRP   4 -18.634  -6.333   4.819
   26    H    LEU   5           HN       LEU   5 -17.146  -3.162   0.049
   27    HA   LEU   5           HA       LEU   5 -14.479  -3.087   0.912
   28   1HB   LEU   5          HB2       LEU   5 -15.901  -4.100  -1.545
   29   2HB   LEU   5          HB1       LEU   5 -14.154  -4.293  -1.395
   30    HG   LEU   5           HG       LEU   5 -15.502  -5.038   1.072
   31   1HD1  LEU   5          HD11      LEU   5 -16.499  -7.150   0.102
   32   2HD1  LEU   5          HD12      LEU   5 -16.319  -6.424  -1.495
   33   3HD1  LEU   5          HD13      LEU   5 -17.379  -5.675  -0.300
   34   1HD2  LEU   5          HD21      LEU   5 -13.185  -5.640   0.437
   35   2HD2  LEU   5          HD22      LEU   5 -13.808  -6.592  -0.912
   36   3HD2  LEU   5          HD23      LEU   5 -14.157  -7.078   0.747
   37    H    ARG   6           HN       ARG   6 -15.996  -1.305  -1.754
   38    HA   ARG   6           HA       ARG   6 -13.730  -0.339  -3.145
   39   1HB   ARG   6          HB2       ARG   6 -16.526   0.135  -2.972
   40   2HB   ARG   6          HB1       ARG   6 -15.746   1.709  -2.822
   41   1HG   ARG   6          HG2       ARG   6 -15.048   1.698  -4.980
   42   2HG   ARG   6          HG1       ARG   6 -14.555   0.007  -4.903
   43   1HD   ARG   6          HD2       ARG   6 -16.358  -0.067  -6.422
   44   2HD   ARG   6          HD1       ARG   6 -17.156  -0.458  -4.886
   45    HE   ARG   6           HE       ARG   6 -17.911   1.876  -4.748
   46   1HH1  ARG   6          HH21      ARG   6 -19.088   1.146  -7.325
   47   2HH1  ARG   6          HH22      ARG   6 -18.495   2.363  -8.404
   48   1HH2  ARG   6          HH11      ARG   6 -15.941   3.375  -6.271
   49   2HH2  ARG   6          HH12      ARG   6 -16.703   3.630  -7.806
   50    H    ASP   7           HN       ASP   7 -15.143   0.743  -0.080
   51    HA   ASP   7           HA       ASP   7 -13.184   2.967   0.163
   52   1HB   ASP   7          HB2       ASP   7 -15.414   3.548   0.747
   53   2HB   ASP   7          HB1       ASP   7 -15.670   2.032   1.608
   54    H    ILE   8           HN       ILE   8 -14.052  -0.146   1.649
   55    HA   ILE   8           HA       ILE   8 -12.349  -0.089   3.921
   56    HB   ILE   8           HB       ILE   8 -14.164  -1.796   2.742
   57   1HG1  ILE   8          HG12      ILE   8 -12.910  -3.355   4.693
   58   2HG1  ILE   8          HG11      ILE   8 -12.533  -1.696   5.153
   59   1HG2  ILE   8          HG21      ILE   8 -11.479  -3.209   2.705
   60   2HG2  ILE   8          HG22      ILE   8 -12.397  -2.746   1.272
   61   3HG2  ILE   8          HG23      ILE   8 -13.049  -3.945   2.388
   62   1HD1  ILE   8          HD11      ILE   8 -14.844  -1.088   5.224
   63   2HD1  ILE   8          HD12      ILE   8 -14.720  -2.624   6.081
   64   3HD1  ILE   8          HD13      ILE   8 -15.330  -2.584   4.426
   65    H    TRP   9           HN       TRP   9 -11.595  -0.750   0.520
   66    HA   TRP   9           HA       TRP   9  -8.978  -1.901   0.938
   67   1HB   TRP   9          HB2       TRP   9 -10.276  -0.406  -1.364
   68   2HB   TRP   9          HB1       TRP   9  -8.717  -1.216  -1.489
   69    HD1  TRP   9           HD1      TRP   9  -9.779  -3.695   0.469
   70    HE1  TRP   9           HE1      TRP   9 -11.224  -5.509  -0.654
   71    HE3  TRP   9           HE3      TRP   9 -11.321  -1.152  -3.683
   72    HZ2  TRP   9           HZ2      TRP   9 -12.820  -5.841  -3.005
   73    HZ3  TRP   9           HZ3      TRP   9 -12.800  -2.240  -5.346
   74    HH2  TRP   9           HH2      TRP   9 -13.551  -4.580  -5.014
   75    H    ASP  10           HN       ASP  10 -10.096   1.441   0.300
   76    HA   ASP  10           HA       ASP  10  -7.494   2.658   0.214
   77   1HB   ASP  10          HB2       ASP  10  -9.502   3.729  -0.653
   78   2HB   ASP  10          HB1       ASP  10 -10.250   3.702   0.944
   79    H    TRP  11           HN       TRP  11  -9.782   2.082   2.899
   80    HA   TRP  11           HA       TRP  11  -8.427   3.527   4.935
   81   1HB   TRP  11          HB2       TRP  11 -10.350   2.796   5.880
   82   2HB   TRP  11          HB1       TRP  11 -10.554   1.589   4.620
   83    HD1  TRP  11           HD1      TRP  11 -10.580  -0.792   5.451
   84    HE1  TRP  11           HE1      TRP  11  -9.688  -2.052   7.513
   85    HE3  TRP  11           HE3      TRP  11  -8.117   3.008   7.818
   86    HZ2  TRP  11           HZ2      TRP  11  -8.139  -1.525   9.855
   87    HZ3  TRP  11           HZ3      TRP  11  -6.943   2.596   9.960
   88    HH2  TRP  11           HH2      TRP  11  -6.952   0.338  10.982
   89    H    ILE  12           HN       ILE  12  -7.806   0.284   3.612
   90    HA   ILE  12           HA       ILE  12  -5.636  -0.194   5.584
   91    HB   ILE  12           HB       ILE  12  -7.034  -1.755   3.407
   92   1HG1  ILE  12          HG12      ILE  12  -8.129  -1.749   5.557
   93   2HG1  ILE  12          HG11      ILE  12  -7.368  -3.326   5.362
   94   1HG2  ILE  12          HG21      ILE  12  -4.793  -2.459   3.050
   95   2HG2  ILE  12          HG22      ILE  12  -5.475  -3.674   4.131
   96   3HG2  ILE  12          HG23      ILE  12  -4.419  -2.416   4.774
   97   1HD1  ILE  12          HD11      ILE  12  -5.343  -2.265   6.595
   98   2HD1  ILE  12          HD12      ILE  12  -6.760  -2.691   7.553
   99   3HD1  ILE  12          HD13      ILE  12  -6.484  -1.014   7.087
  100    H    CYS  13           HN       CYS  13  -6.052   0.584   2.139
  101    HA   CYS  13           HA       CYS  13  -3.283   0.177   1.405
  102   1HB   CYS  13          HB2       CYS  13  -5.301   0.248  -0.111
  103   2HB   CYS  13          HB1       CYS  13  -5.374   1.990   0.157
  104    HG   CYS  13           HG       CYS  13  -3.113   2.264  -1.066
  105    H    GLU  14           HN       GLU  14  -5.168   3.107   2.267
  106    HA   GLU  14           HA       GLU  14  -3.096   5.032   1.964
  107   1HB   GLU  14          HB2       GLU  14  -5.466   5.559   2.254
  108   2HB   GLU  14          HB1       GLU  14  -5.452   4.859   3.873
  109   1HG   GLU  14          HG2       GLU  14  -3.367   6.718   3.926
  110   2HG   GLU  14          HG1       GLU  14  -4.639   7.524   3.008
  111    H    VAL  15           HN       VAL  15  -3.888   2.924   4.732
  112    HA   VAL  15           HA       VAL  15  -1.807   4.146   6.426
  113    HB   VAL  15           HB       VAL  15  -4.069   3.300   7.183
  114   1HG1  VAL  15          HG11      VAL  15  -4.239   0.839   7.576
  115   2HG1  VAL  15          HG12      VAL  15  -2.752   0.619   6.655
  116   3HG1  VAL  15          HG13      VAL  15  -4.193   1.256   5.865
  117   1HG2  VAL  15          HG21      VAL  15  -3.257   2.562   9.285
  118   2HG2  VAL  15          HG22      VAL  15  -1.965   3.578   8.645
  119   3HG2  VAL  15          HG23      VAL  15  -1.828   1.821   8.564
  120    H    LEU  16           HN       LEU  16  -1.876   1.624   4.066
  121    HA   LEU  16           HA       LEU  16   0.545   0.333   5.266
  122   1HB   LEU  16          HB2       LEU  16  -1.594  -0.946   4.665
  123   2HB   LEU  16          HB1       LEU  16  -1.172  -0.651   2.978
  124    HG   LEU  16           HG       LEU  16   1.089  -1.657   4.548
  125   1HD1  LEU  16          HD11      LEU  16  -0.990  -2.778   5.598
  126   2HD1  LEU  16          HD12      LEU  16   0.300  -3.835   5.025
  127   3HD1  LEU  16          HD13      LEU  16  -1.156  -3.613   4.054
  128   1HD2  LEU  16          HD21      LEU  16  -0.211  -2.020   1.904
  129   2HD2  LEU  16          HD22      LEU  16   0.659  -3.424   2.525
  130   3HD2  LEU  16          HD23      LEU  16   1.501  -1.890   2.309
  131    H    SER  17           HN       SER  17  -0.632   2.037   2.374
  132    HA   SER  17           HA       SER  17   1.523   1.459   0.602
  133   1HB   SER  17          HB2       SER  17  -0.770   2.712   0.321
  134   2HB   SER  17          HB1       SER  17   0.168   4.145   0.730
  135    HG   SER  17           HG       SER  17   0.477   4.037  -1.391
  136    H    ASP  18           HN       ASP  18   1.160   4.154   2.953
  137    HA   ASP  18           HA       ASP  18   3.641   5.455   2.388
  138   1HB   ASP  18          HB2       ASP  18   3.242   6.564   4.494
  139   2HB   ASP  18          HB1       ASP  18   1.659   6.246   3.788
  140    H    PHE  19           HN       PHE  19   2.877   2.608   4.335
  141    HA   PHE  19           HA       PHE  19   5.567   2.435   5.523
  142   1HB   PHE  19          HB2       PHE  19   3.180   1.732   6.420
  143   2HB   PHE  19          HB1       PHE  19   3.494   0.255   5.508
  144    HD1  PHE  19           HD1      PHE  19   5.107  -1.355   6.241
  145    HD2  PHE  19           HD2      PHE  19   4.755   2.430   8.241
  146    HE1  PHE  19           HE1      PHE  19   6.562  -2.185   8.069
  147    HE2  PHE  19           HE2      PHE  19   6.210   1.600  10.069
  148    HZ   PHE  19           HZ       PHE  19   7.115  -0.708   9.983
  149    H    LYS  20           HN       LYS  20   3.661   0.733   3.016
  150    HA   LYS  20           HA       LYS  20   5.694  -1.253   2.429
  151   1HB   LYS  20          HB2       LYS  20   3.042  -0.933   1.934
  152   2HB   LYS  20          HB1       LYS  20   3.701  -0.448   0.373
  153   1HG   LYS  20          HG2       LYS  20   4.727  -2.950   1.677
  154   2HG   LYS  20          HG1       LYS  20   3.172  -2.990   0.848
  155   1HD   LYS  20          HD2       LYS  20   4.585  -1.719  -1.042
  156   2HD   LYS  20          HD1       LYS  20   5.908  -2.598  -0.276
  157   1HE   LYS  20          HE2       LYS  20   3.784  -4.462  -0.516
  158   2HE   LYS  20          HE1       LYS  20   3.888  -3.618  -2.073
  159   1HZ   LYS  20          HZ1       LYS  20   6.161  -4.838  -0.591
  160   2HZ   LYS  20          HZ2       LYS  20   6.297  -3.963  -2.042
  161   3HZ   LYS  20          HZ3       LYS  20   5.462  -5.442  -2.013
  162    H    THR  21           HN       THR  21   4.731   1.825   0.854
  163    HA   THR  21           HA       THR  21   6.520   1.712  -1.361
  164    HB   THR  21           HB       THR  21   5.430   4.048   0.251
  165    HG1  THR  21           HG1      THR  21   3.681   3.295  -0.633
  166   1HG2  THR  21          HG21      THR  21   7.023   3.892  -2.269
  167   2HG2  THR  21          HG22      THR  21   7.018   5.136  -1.020
  168   3HG2  THR  21          HG23      THR  21   5.711   5.069  -2.201
  169    H    TRP  22           HN       TRP  22   6.998   3.058   1.927
  170    HA   TRP  22           HA       TRP  22   9.680   4.019   1.482
  171   1HB   TRP  22          HB2       TRP  22   8.184   4.740   3.317
  172   2HB   TRP  22          HB1       TRP  22   8.237   3.116   4.004
  173    HD1  TRP  22           HD1      TRP  22  10.240   6.312   3.697
  174    HE1  TRP  22           HE1      TRP  22  12.358   6.131   5.157
  175    HE3  TRP  22           HE3      TRP  22  10.015   1.378   4.970
  176    HZ2  TRP  22           HZ2      TRP  22  13.769   4.151   6.671
  177    HZ3  TRP  22           HZ3      TRP  22  11.751   0.368   6.418
  178    HH2  TRP  22           HH2      TRP  22  13.624   1.743   7.269
  179    H    LEU  23           HN       LEU  23   8.395   0.950   2.816
  180    HA   LEU  23           HA       LEU  23  10.866  -0.282   3.507
  181   1HB   LEU  23          HB2       LEU  23   8.070  -0.989   3.092
  182   2HB   LEU  23          HB1       LEU  23   9.130  -2.279   2.533
  183    HG   LEU  23           HG       LEU  23   8.661  -2.691   4.861
  184   1HD1  LEU  23          HD11      LEU  23  11.150  -2.652   3.890
  185   2HD1  LEU  23          HD12      LEU  23  10.824  -3.028   5.582
  186   3HD1  LEU  23          HD13      LEU  23  11.343  -1.407   5.123
  187   1HD2  LEU  23          HD21      LEU  23   9.852  -0.432   6.148
  188   2HD2  LEU  23          HD22      LEU  23   8.184  -0.992   6.253
  189   3HD2  LEU  23          HD23      LEU  23   8.648   0.164   5.006
  190    H    LYS  24           HN       LYS  24   9.123  -0.178   0.395
  191    HA   LYS  24           HA       LYS  24  10.918  -1.942  -1.028
  192   1HB   LYS  24          HB2       LYS  24   8.489  -1.080  -1.515
  193   2HB   LYS  24          HB1       LYS  24   9.314   0.278  -2.282
  194   1HG   LYS  24          HG2       LYS  24  10.649  -1.413  -3.615
  195   2HG   LYS  24          HG1       LYS  24   9.568  -2.656  -2.983
  196   1HD   LYS  24          HD2       LYS  24   7.662  -1.673  -4.037
  197   2HD   LYS  24          HD1       LYS  24   8.544  -0.191  -4.407
  198   1HE   LYS  24          HE2       LYS  24   8.467  -1.447  -6.462
  199   2HE   LYS  24          HE1       LYS  24  10.111  -1.662  -5.830
  200   1HZ   LYS  24          HZ1       LYS  24   9.528  -3.735  -4.878
  201   2HZ   LYS  24          HZ2       LYS  24   8.938  -3.773  -6.470
  202   3HZ   LYS  24          HZ3       LYS  24   7.873  -3.502  -5.174
  203    H    ALA  25           HN       ALA  25  10.868   1.561  -0.437
  204    HA   ALA  25           HA       ALA  25  12.813   2.387  -2.354
  205   1HB   ALA  25          HB1       ALA  25  13.010   4.339  -0.874
  206   2HB   ALA  25          HB2       ALA  25  12.277   3.432   0.449
  207   3HB   ALA  25          HB3       ALA  25  11.321   3.841  -0.976
  208    H    LYS  26           HN       LYS  26  13.174   1.039   0.925
  209    HA   LYS  26           HA       LYS  26  16.117   1.298   0.840
  210   1HB   LYS  26          HB2       LYS  26  14.590   1.628   2.864
  211   2HB   LYS  26          HB1       LYS  26  14.354  -0.121   2.857
  212   1HG   LYS  26          HG2       LYS  26  16.143   0.261   4.383
  213   2HG   LYS  26          HG1       LYS  26  16.911  -0.314   2.904
  214   1HD   LYS  26          HD2       LYS  26  16.585   2.562   2.813
  215   2HD   LYS  26          HD1       LYS  26  17.456   2.090   4.272
  216   1HE   LYS  26          HE2       LYS  26  19.204   1.074   3.054
  217   2HE   LYS  26          HE1       LYS  26  18.216   0.923   1.587
  218   1HZ   LYS  26          HZ1       LYS  26  18.152   3.316   1.393
  219   2HZ   LYS  26          HZ2       LYS  26  19.770   2.806   1.460
  220   3HZ   LYS  26          HZ3       LYS  26  19.040   3.499   2.828
  221    H    LEU  27           HN       LEU  27  13.650  -1.175   0.306
  222    HA   LEU  27           HA       LEU  27  15.534  -3.420   0.408
  223   1HB   LEU  27          HB2       LEU  27  12.989  -3.324   0.919
  224   2HB   LEU  27          HB1       LEU  27  12.779  -3.396  -0.831
  225    HG   LEU  27           HG       LEU  27  14.492  -5.423  -0.600
  226   1HD1  LEU  27          HD11      LEU  27  13.900  -6.689   1.514
  227   2HD1  LEU  27          HD12      LEU  27  13.168  -5.201   2.116
  228   3HD1  LEU  27          HD13      LEU  27  14.896  -5.256   1.769
  229   1HD2  LEU  27          HD21      LEU  27  12.302  -6.837  -0.027
  230   2HD2  LEU  27          HD22      LEU  27  12.465  -5.993  -1.567
  231   3HD2  LEU  27          HD23      LEU  27  11.521  -5.274  -0.262
  232    H    MET  28           HN       MET  28  13.655  -1.840  -2.226
  233    HA   MET  28           HA       MET  28  15.332  -3.217  -4.252
  234   1HB   MET  28          HB2       MET  28  12.817  -3.032  -4.359
  235   2HB   MET  28          HB1       MET  28  13.007  -1.290  -4.567
  236   1HG   MET  28          HG2       MET  28  14.758  -2.442  -6.442
  237   2HG   MET  28          HG1       MET  28  13.284  -3.407  -6.535
  238   1HE   MET  28          HE1       MET  28  14.912  -1.569  -8.356
  239   2HE   MET  28          HE2       MET  28  14.042  -0.197  -9.038
  240   3HE   MET  28          HE3       MET  28  13.483  -1.835  -9.364
  241    HA   PRO  29           HA       PRO  29  17.844   0.501  -4.392
  242   1HB   PRO  29          HB2       PRO  29  19.690  -0.481  -6.156
  243   2HB   PRO  29          HB1       PRO  29  19.689  -0.895  -4.430
  244   1HG   PRO  29          HG2       PRO  29  18.734  -2.475  -6.757
  245   2HG   PRO  29          HG1       PRO  29  19.536  -3.016  -5.275
  246   1HD   PRO  29          HD2       PRO  29  16.836  -3.225  -5.745
  247   2HD   PRO  29          HD1       PRO  29  17.575  -3.186  -4.131
  248    H    GLN  30           HN       GLN  30  18.646   1.916  -6.280
  249    HA   GLN  30           HA       GLN  30  16.537   2.538  -8.091
  250   1HB   GLN  30          HB2       GLN  30  18.280   3.990  -9.141
  251   2HB   GLN  30          HB1       GLN  30  18.267   4.123  -7.385
  252   1HG   GLN  30          HG2       GLN  30  20.036   2.020  -7.874
  253   2HG   GLN  30          HG1       GLN  30  20.392   3.177  -9.156
  254   1HE2  GLN  30          HE21      GLN  30  20.902   5.457  -8.437
  255   2HE2  GLN  30          HE22      GLN  30  21.576   5.699  -6.898
  256    H    LEU  31           HN       LEU  31  15.854   1.287  -9.780
  257    HA   LEU  31           HA       LEU  31  17.854   0.141 -11.653
  258   1HB   LEU  31          HB2       LEU  31  16.935  -1.356  -9.567
  259   2HB   LEU  31          HB1       LEU  31  15.709  -1.718 -10.782
  260    HG   LEU  31           HG       LEU  31  17.638  -2.188 -12.392
  261   1HD1  LEU  31          HD11      LEU  31  19.153  -2.116  -9.765
  262   2HD1  LEU  31          HD12      LEU  31  19.426  -1.079 -11.164
  263   3HD1  LEU  31          HD13      LEU  31  19.787  -2.802 -11.261
  264   1HD2  LEU  31          HD21      LEU  31  17.348  -3.918  -9.914
  265   2HD2  LEU  31          HD22      LEU  31  18.003  -4.455 -11.461
  266   3HD2  LEU  31          HD23      LEU  31  16.309  -3.978 -11.337
  Start of MODEL   20
    1   1H    SER   1           HT1      SER   1 -14.165   4.372  -5.331
    2   2H    SER   1           HT2      SER   1 -13.768   5.967  -5.762
    3   3H    SER   1           HT3      SER   1 -15.294   5.330  -6.160
    4    HA   SER   1           HA       SER   1 -14.348   5.691  -3.358
    5   1HB   SER   1          HB2       SER   1 -16.072   7.444  -5.139
    6   2HB   SER   1          HB1       SER   1 -15.739   7.741  -3.435
    7    HG   SER   1           HG       SER   1 -14.347   8.875  -4.948
    8    H    GLY   2           HN       GLY   2 -16.239   5.596  -1.871
    9   1HA   GLY   2          HA2       GLY   2 -18.868   4.854  -2.654
   10   2HA   GLY   2          HA1       GLY   2 -17.954   3.371  -2.372
   11    H    SER   3           HN       SER   3 -18.747   2.664  -0.415
   12    HA   SER   3           HA       SER   3 -18.241   4.393   1.957
   13   1HB   SER   3          HB2       SER   3 -20.903   3.098   1.273
   14   2HB   SER   3          HB1       SER   3 -20.551   3.971   2.761
   15    HG   SER   3           HG       SER   3 -20.057   5.800   1.384
   16    H    TRP   4           HN       TRP   4 -19.589   1.223   0.921
   17    HA   TRP   4           HA       TRP   4 -18.781  -0.124   3.370
   18   1HB   TRP   4          HB2       TRP   4 -20.530  -0.543   1.258
   19   2HB   TRP   4          HB1       TRP   4 -19.285  -1.757   0.974
   20    HD1  TRP   4           HD1      TRP   4 -22.337  -2.262   2.065
   21    HE1  TRP   4           HE1      TRP   4 -22.611  -3.630   4.231
   22    HE3  TRP   4           HE3      TRP   4 -17.656  -1.735   4.060
   23    HZ2  TRP   4           HZ2      TRP   4 -21.062  -4.400   6.504
   24    HZ3  TRP   4           HZ3      TRP   4 -17.089  -2.796   6.222
   25    HH2  TRP   4           HH2      TRP   4 -18.784  -4.126   7.447
   26    H    LEU   5           HN       LEU   5 -17.773  -2.534   1.821
   27    HA   LEU   5           HA       LEU   5 -14.995  -2.224   2.163
   28   1HB   LEU   5          HB2       LEU   5 -16.722  -4.237   1.562
   29   2HB   LEU   5          HB1       LEU   5 -15.922  -4.036   0.004
   30    HG   LEU   5           HG       LEU   5 -14.207  -4.103   2.452
   31   1HD1  LEU   5          HD11      LEU   5 -14.215  -6.497   2.570
   32   2HD1  LEU   5          HD12      LEU   5 -15.226  -6.629   1.132
   33   3HD1  LEU   5          HD13      LEU   5 -15.904  -5.992   2.630
   34   1HD2  LEU   5          HD21      LEU   5 -13.048  -3.752   0.407
   35   2HD2  LEU   5          HD22      LEU   5 -14.013  -4.961  -0.441
   36   3HD2  LEU   5          HD23      LEU   5 -12.820  -5.466   0.755
   37    H    ARG   6           HN       ARG   6 -16.997  -1.301  -0.590
   38    HA   ARG   6           HA       ARG   6 -14.998  -1.128  -2.617
   39   1HB   ARG   6          HB2       ARG   6 -17.671   0.059  -2.023
   40   2HB   ARG   6          HB1       ARG   6 -16.713   0.836  -3.283
   41   1HG   ARG   6          HG2       ARG   6 -16.506  -1.258  -4.499
   42   2HG   ARG   6          HG1       ARG   6 -17.299  -2.138  -3.192
   43   1HD   ARG   6          HD2       ARG   6 -19.112  -1.817  -4.624
   44   2HD   ARG   6          HD1       ARG   6 -19.234  -0.338  -3.650
   45    HE   ARG   6           HE       ARG   6 -18.126  -0.505  -6.402
   46   1HH1  ARG   6          HH11      ARG   6 -20.343   1.361  -5.430
   47   2HH1  ARG   6          HH12      ARG   6 -19.499   2.871  -5.348
   48   1HH2  ARG   6          HH21      ARG   6 -16.346   1.409  -5.481
   49   2HH2  ARG   6          HH22      ARG   6 -17.225   2.898  -5.372
   50    H    ASP   7           HN       ASP   7 -15.666   0.974   0.130
   51    HA   ASP   7           HA       ASP   7 -13.566   2.878  -0.863
   52   1HB   ASP   7          HB2       ASP   7 -16.019   3.609  -0.600
   53   2HB   ASP   7          HB1       ASP   7 -15.755   3.464   1.139
   54    H    ILE   8           HN       ILE   8 -14.735   0.967   1.899
   55    HA   ILE   8           HA       ILE   8 -12.972   2.062   3.882
   56    HB   ILE   8           HB       ILE   8 -15.080   0.465   3.982
   57   1HG1  ILE   8          HG12      ILE   8 -12.866  -0.145   5.931
   58   2HG1  ILE   8          HG11      ILE   8 -13.545   1.477   5.838
   59   1HG2  ILE   8          HG21      ILE   8 -14.666  -1.837   4.083
   60   2HG2  ILE   8          HG22      ILE   8 -12.938  -1.614   4.357
   61   3HG2  ILE   8          HG23      ILE   8 -13.619  -1.337   2.755
   62   1HD1  ILE   8          HD11      ILE   8 -15.838   0.426   6.114
   63   2HD1  ILE   8          HD12      ILE   8 -14.790   0.303   7.527
   64   3HD1  ILE   8          HD13      ILE   8 -15.015  -1.093   6.471
   65    H    TRP   9           HN       TRP   9 -12.419  -0.270   1.305
   66    HA   TRP   9           HA       TRP   9 -10.115  -1.576   2.393
   67   1HB   TRP   9          HB2       TRP   9 -10.379  -2.679   0.436
   68   2HB   TRP   9          HB1       TRP   9 -11.612  -1.513  -0.028
   69    HD1  TRP   9           HD1      TRP   9  -8.027  -2.508  -0.662
   70    HE1  TRP   9           HE1      TRP   9  -7.064  -1.087  -2.585
   71    HE3  TRP   9           HE3      TRP   9 -11.784   0.910  -1.197
   72    HZ2  TRP   9           HZ2      TRP   9  -7.791   1.199  -4.142
   73    HZ3  TRP   9           HZ3      TRP   9 -11.623   2.697  -2.908
   74    HH2  TRP   9           HH2      TRP   9  -9.633   2.845  -4.378
   75    H    ASP  10           HN       ASP  10 -10.506   1.558   0.778
   76    HA   ASP  10           HA       ASP  10  -7.754   2.137   0.261
   77   1HB   ASP  10          HB2       ASP  10  -9.829   3.370  -0.519
   78   2HB   ASP  10          HB1       ASP  10  -9.947   4.060   1.102
   79    H    TRP  11           HN       TRP  11  -9.754   2.528   3.184
   80    HA   TRP  11           HA       TRP  11  -7.985   4.037   4.801
   81   1HB   TRP  11          HB2       TRP  11 -10.112   3.693   5.693
   82   2HB   TRP  11          HB1       TRP  11 -10.167   2.013   5.179
   83    HD1  TRP  11           HD1      TRP  11  -7.204   3.259   7.221
   84    HE1  TRP  11           HE1      TRP  11  -7.264   2.161   9.548
   85    HE3  TRP  11           HE3      TRP  11 -11.766   0.995   6.997
   86    HZ2  TRP  11           HZ2      TRP  11  -9.023   0.537  11.113
   87    HZ3  TRP  11           HZ3      TRP  11 -12.613  -0.321   8.918
   88    HH2  TRP  11           HH2      TRP  11 -11.248  -0.552  10.974
   89    H    ILE  12           HN       ILE  12  -8.152   0.485   4.321
   90    HA   ILE  12           HA       ILE  12  -5.742   0.051   5.968
   91    HB   ILE  12           HB       ILE  12  -7.385  -1.789   4.198
   92   1HG1  ILE  12          HG12      ILE  12  -7.920  -2.343   6.884
   93   2HG1  ILE  12          HG11      ILE  12  -7.902  -0.580   6.805
   94   1HG2  ILE  12          HG21      ILE  12  -5.178  -2.717   4.724
   95   2HG2  ILE  12          HG22      ILE  12  -6.417  -3.575   5.639
   96   3HG2  ILE  12          HG23      ILE  12  -5.416  -2.362   6.435
   97   1HD1  ILE  12          HD11      ILE  12  -9.274  -1.498   4.493
   98   2HD1  ILE  12          HD12      ILE  12  -9.945  -0.626   5.870
   99   3HD1  ILE  12          HD13      ILE  12  -9.926  -2.389   5.867
  100    H    CYS  13           HN       CYS  13  -6.616  -0.055   2.503
  101    HA   CYS  13           HA       CYS  13  -4.097  -1.049   1.551
  102   1HB   CYS  13          HB2       CYS  13  -6.348  -0.967   0.385
  103   2HB   CYS  13          HB1       CYS  13  -6.065   0.753   0.117
  104    HG   CYS  13           HG       CYS  13  -4.946  -0.128  -1.944
  105    H    GLU  14           HN       GLU  14  -5.347   2.298   1.874
  106    HA   GLU  14           HA       GLU  14  -3.098   3.640   0.733
  107   1HB   GLU  14          HB2       GLU  14  -5.437   4.496   1.329
  108   2HB   GLU  14          HB1       GLU  14  -4.860   4.630   2.990
  109   1HG   GLU  14          HG2       GLU  14  -2.845   5.872   1.576
  110   2HG   GLU  14          HG1       GLU  14  -4.283   6.336   0.666
  111    H    VAL  15           HN       VAL  15  -3.798   2.749   4.135
  112    HA   VAL  15           HA       VAL  15  -1.454   3.917   5.302
  113    HB   VAL  15           HB       VAL  15  -3.260   1.595   6.049
  114   1HG1  VAL  15          HG11      VAL  15  -1.180   1.202   7.209
  115   2HG1  VAL  15          HG12      VAL  15  -2.295   1.926   8.368
  116   3HG1  VAL  15          HG13      VAL  15  -1.030   2.908   7.629
  117   1HG2  VAL  15          HG21      VAL  15  -4.218   3.917   5.958
  118   2HG2  VAL  15          HG22      VAL  15  -3.032   4.408   7.165
  119   3HG2  VAL  15          HG23      VAL  15  -4.259   3.208   7.572
  120    H    LEU  16           HN       LEU  16  -2.043   0.713   3.851
  121    HA   LEU  16           HA       LEU  16   0.460  -0.495   4.603
  122   1HB   LEU  16          HB2       LEU  16  -1.878  -1.049   2.982
  123   2HB   LEU  16          HB1       LEU  16  -0.420  -1.553   2.128
  124    HG   LEU  16           HG       LEU  16   0.223  -2.547   4.506
  125   1HD1  LEU  16          HD11      LEU  16  -2.802  -2.706   4.549
  126   2HD1  LEU  16          HD12      LEU  16  -1.876  -1.566   5.525
  127   3HD1  LEU  16          HD13      LEU  16  -1.683  -3.301   5.775
  128   1HD2  LEU  16          HD21      LEU  16  -1.797  -3.822   2.631
  129   2HD2  LEU  16          HD22      LEU  16  -0.794  -4.692   3.792
  130   3HD2  LEU  16          HD23      LEU  16  -0.044  -3.855   2.434
  131    H    SER  17           HN       SER  17  -0.519   1.439   1.767
  132    HA   SER  17           HA       SER  17   1.812   1.099   0.171
  133   1HB   SER  17          HB2       SER  17  -0.501   2.869   0.382
  134   2HB   SER  17          HB1       SER  17   0.926   3.739  -0.173
  135    HG   SER  17           HG       SER  17  -0.580   2.361  -1.670
  136    H    ASP  18           HN       ASP  18   1.128   3.492   2.755
  137    HA   ASP  18           HA       ASP  18   3.613   4.921   2.534
  138   1HB   ASP  18          HB2       ASP  18   1.629   5.750   3.727
  139   2HB   ASP  18          HB1       ASP  18   1.748   4.421   4.883
  140    H    PHE  19           HN       PHE  19   2.664   2.004   4.336
  141    HA   PHE  19           HA       PHE  19   5.201   1.775   5.768
  142   1HB   PHE  19          HB2       PHE  19   2.655   0.808   6.050
  143   2HB   PHE  19          HB1       PHE  19   3.478  -0.604   5.387
  144    HD1  PHE  19           HD1      PHE  19   3.274   1.730   8.222
  145    HD2  PHE  19           HD2      PHE  19   5.333  -1.670   6.593
  146    HE1  PHE  19           HE1      PHE  19   4.300   1.289  10.436
  147    HE2  PHE  19           HE2      PHE  19   6.358  -2.110   8.806
  148    HZ   PHE  19           HZ       PHE  19   5.842  -0.630  10.728
  149    H    LYS  20           HN       LYS  20   4.142   0.971   2.570
  150    HA   LYS  20           HA       LYS  20   6.295  -1.074   2.236
  151   1HB   LYS  20          HB2       LYS  20   3.648  -0.893   1.417
  152   2HB   LYS  20          HB1       LYS  20   4.541  -0.445  -0.036
  153   1HG   LYS  20          HG2       LYS  20   5.812  -2.497   0.026
  154   2HG   LYS  20          HG1       LYS  20   5.160  -2.912   1.612
  155   1HD   LYS  20          HD2       LYS  20   3.352  -2.493  -0.769
  156   2HD   LYS  20          HD1       LYS  20   4.094  -4.059  -0.442
  157   1HE   LYS  20          HE2       LYS  20   2.871  -2.870   1.953
  158   2HE   LYS  20          HE1       LYS  20   1.702  -3.188   0.655
  159   1HZ   LYS  20          HZ1       LYS  20   3.765  -5.155   1.493
  160   2HZ   LYS  20          HZ2       LYS  20   2.427  -5.419   0.479
  161   3HZ   LYS  20          HZ3       LYS  20   2.196  -5.137   2.138
  162    H    THR  21           HN       THR  21   5.279   2.153   1.176
  163    HA   THR  21           HA       THR  21   7.027   2.466  -1.052
  164    HB   THR  21           HB       THR  21   5.037   3.884  -0.147
  165    HG1  THR  21           HG1      THR  21   5.776   4.821  -1.867
  166   1HG2  THR  21          HG21      THR  21   6.060   4.354   2.067
  167   2HG2  THR  21          HG22      THR  21   5.675   5.831   1.185
  168   3HG2  THR  21          HG23      THR  21   7.341   5.261   1.263
  169    H    TRP  22           HN       TRP  22   7.615   3.026   2.443
  170    HA   TRP  22           HA       TRP  22  10.292   4.091   1.982
  171   1HB   TRP  22          HB2       TRP  22  10.329   4.312   4.328
  172   2HB   TRP  22          HB1       TRP  22   8.628   4.488   3.934
  173    HD1  TRP  22           HD1      TRP  22   6.990   2.864   5.034
  174    HE1  TRP  22           HE1      TRP  22   7.212   0.809   6.568
  175    HE3  TRP  22           HE3      TRP  22  12.040   2.127   4.810
  176    HZ2  TRP  22           HZ2      TRP  22   9.256  -0.914   7.578
  177    HZ3  TRP  22           HZ3      TRP  22  13.096   0.279   6.073
  178    HH2  TRP  22           HH2      TRP  22  11.711  -1.245   7.453
  179    H    LEU  23           HN       LEU  23   8.883   0.908   2.547
  180    HA   LEU  23           HA       LEU  23  11.190  -0.547   3.357
  181   1HB   LEU  23          HB2       LEU  23   8.560  -1.069   2.856
  182   2HB   LEU  23          HB1       LEU  23   9.295  -1.797   1.431
  183    HG   LEU  23           HG       LEU  23   9.327  -3.581   2.932
  184   1HD1  LEU  23          HD11      LEU  23  11.928  -2.213   3.665
  185   2HD1  LEU  23          HD12      LEU  23  11.651  -2.998   2.110
  186   3HD1  LEU  23          HD13      LEU  23  11.610  -3.945   3.596
  187   1HD2  LEU  23          HD21      LEU  23  10.427  -2.238   5.304
  188   2HD2  LEU  23          HD22      LEU  23   9.074  -3.361   5.173
  189   3HD2  LEU  23          HD23      LEU  23   8.834  -1.648   4.833
  190    H    LYS  24           HN       LYS  24   9.957   0.200   0.073
  191    HA   LYS  24           HA       LYS  24  12.151  -1.122  -1.306
  192   1HB   LYS  24          HB2       LYS  24   9.771  -0.574  -2.121
  193   2HB   LYS  24          HB1       LYS  24  10.344   1.079  -2.345
  194   1HG   LYS  24          HG2       LYS  24  10.695   0.106  -4.459
  195   2HG   LYS  24          HG1       LYS  24  12.281  -0.012  -3.696
  196   1HD   LYS  24          HD2       LYS  24  11.095  -2.337  -2.847
  197   2HD   LYS  24          HD1       LYS  24  10.397  -2.152  -4.456
  198   1HE   LYS  24          HE2       LYS  24  13.375  -1.841  -4.006
  199   2HE   LYS  24          HE1       LYS  24  12.644  -3.428  -4.309
  200   1HZ   LYS  24          HZ1       LYS  24  13.284  -2.352  -6.389
  201   2HZ   LYS  24          HZ2       LYS  24  12.306  -1.014  -6.017
  202   3HZ   LYS  24          HZ3       LYS  24  11.600  -2.534  -6.300
  203    H    ALA  25           HN       ALA  25  11.480   2.214  -0.246
  204    HA   ALA  25           HA       ALA  25  13.658   3.510  -1.593
  205   1HB   ALA  25          HB1       ALA  25  11.749   4.670  -0.557
  206   2HB   ALA  25          HB2       ALA  25  13.256   5.249   0.153
  207   3HB   ALA  25          HB3       ALA  25  12.250   4.099   1.036
  208    H    LYS  26           HN       LYS  26  13.425   1.800   1.515
  209    HA   LYS  26           HA       LYS  26  16.221   2.407   2.240
  210   1HB   LYS  26          HB2       LYS  26  14.027   2.060   3.700
  211   2HB   LYS  26          HB1       LYS  26  14.485   0.360   3.587
  212   1HG   LYS  26          HG2       LYS  26  15.599   1.065   5.532
  213   2HG   LYS  26          HG1       LYS  26  16.853   1.194   4.298
  214   1HD   LYS  26          HD2       LYS  26  16.483   3.576   4.077
  215   2HD   LYS  26          HD1       LYS  26  15.072   3.500   5.133
  216   1HE   LYS  26          HE2       LYS  26  16.466   2.886   7.041
  217   2HE   LYS  26          HE1       LYS  26  17.901   2.795   6.000
  218   1HZ   LYS  26          HZ1       LYS  26  17.688   4.967   7.121
  219   2HZ   LYS  26          HZ2       LYS  26  16.204   5.215   6.333
  220   3HZ   LYS  26          HZ3       LYS  26  17.640   5.104   5.431
  221    H    LEU  27           HN       LEU  27  14.405  -0.130   0.642
  222    HA   LEU  27           HA       LEU  27  15.064  -2.157  -0.343
  223   1HB   LEU  27          HB2       LEU  27  16.960  -0.195  -0.849
  224   2HB   LEU  27          HB1       LEU  27  17.935  -1.536  -0.247
  225    HG   LEU  27           HG       LEU  27  16.502  -2.991  -1.876
  226   1HD1  LEU  27          HD11      LEU  27  16.123  -0.200  -3.004
  227   2HD1  LEU  27          HD12      LEU  27  14.853  -1.289  -2.449
  228   3HD1  LEU  27          HD13      LEU  27  15.788  -1.688  -3.888
  229   1HD2  LEU  27          HD21      LEU  27  18.905  -2.570  -2.166
  230   2HD2  LEU  27          HD22      LEU  27  18.560  -0.996  -2.883
  231   3HD2  LEU  27          HD23      LEU  27  18.085  -2.473  -3.724
  232    H    MET  28           HN       MET  28  14.467  -3.022   1.910
  233    HA   MET  28           HA       MET  28  16.853  -4.021   3.413
  234   1HB   MET  28          HB2       MET  28  14.604  -2.731   4.248
  235   2HB   MET  28          HB1       MET  28  14.091  -4.409   4.431
  236   1HG   MET  28          HG2       MET  28  16.454  -4.693   5.572
  237   2HG   MET  28          HG1       MET  28  16.324  -2.951   5.808
  238   1HE   MET  28          HE1       MET  28  16.097  -3.315   8.791
  239   2HE   MET  28          HE2       MET  28  16.852  -4.628   7.891
  240   3HE   MET  28          HE3       MET  28  15.611  -4.990   9.087
  241    HA   PRO  29           HA       PRO  29  15.796  -7.894   1.381
  242   1HB   PRO  29          HB2       PRO  29  18.040  -9.240   2.177
  243   2HB   PRO  29          HB1       PRO  29  18.033  -8.089   0.826
  244   1HG   PRO  29          HG2       PRO  29  19.008  -7.736   3.605
  245   2HG   PRO  29          HG1       PRO  29  19.644  -7.078   2.091
  246   1HD   PRO  29          HD2       PRO  29  18.118  -5.664   3.899
  247   2HD   PRO  29          HD1       PRO  29  18.292  -5.252   2.179
  248    H    GLN  30           HN       GLN  30  15.884 -10.300   2.305
  249    HA   GLN  30           HA       GLN  30  14.342 -10.340   4.774
  250   1HB   GLN  30          HB2       GLN  30  14.027 -11.869   2.826
  251   2HB   GLN  30          HB1       GLN  30  15.612 -12.573   3.147
  252   1HG   GLN  30          HG2       GLN  30  13.860 -13.979   4.133
  253   2HG   GLN  30          HG1       GLN  30  14.834 -13.249   5.409
  254   1HE2  GLN  30          HE21      GLN  30  11.763 -12.709   3.592
  255   2HE2  GLN  30          HE22      GLN  30  10.968 -11.942   4.880
  256    H    LEU  31           HN       LEU  31  15.376 -10.028   6.718
  257    HA   LEU  31           HA       LEU  31  17.812 -11.651   7.300
  258   1HB   LEU  31          HB2       LEU  31  18.167  -9.177   6.471
  259   2HB   LEU  31          HB1       LEU  31  17.654  -8.753   8.103
  260    HG   LEU  31           HG       LEU  31  19.710 -10.897   7.855
  261   1HD1  LEU  31          HD11      LEU  31  21.470  -9.023   7.815
  262   2HD1  LEU  31          HD12      LEU  31  20.183  -7.981   7.210
  263   3HD1  LEU  31          HD13      LEU  31  20.679  -9.397   6.283
  264   1HD2  LEU  31          HD21      LEU  31  18.959 -10.251  10.058
  265   2HD2  LEU  31          HD22      LEU  31  19.197  -8.542   9.696
  266   3HD2  LEU  31          HD23      LEU  31  20.589  -9.612   9.853
  Start of MODEL   21
    1   1H    SER   1           HT1      SER   1 -25.408 -10.586   8.314
    2   2H    SER   1           HT2      SER   1 -25.038  -8.997   8.794
    3   3H    SER   1           HT3      SER   1 -23.838  -9.980   8.103
    4    HA   SER   1           HA       SER   1 -24.972  -9.973   5.978
    5   1HB   SER   1          HB2       SER   1 -26.990  -8.345   7.560
    6   2HB   SER   1          HB1       SER   1 -27.079  -8.651   5.827
    7    HG   SER   1           HG       SER   1 -28.303 -10.199   6.848
    8    H    GLY   2           HN       GLY   2 -24.491  -8.270   4.478
    9   1HA   GLY   2          HA2       GLY   2 -24.016  -5.944   3.934
   10   2HA   GLY   2          HA1       GLY   2 -23.655  -5.654   5.637
   11    H    SER   3           HN       SER   3 -21.996  -5.225   3.144
   12    HA   SER   3           HA       SER   3 -19.588  -6.770   4.047
   13   1HB   SER   3          HB2       SER   3 -19.026  -6.654   1.504
   14   2HB   SER   3          HB1       SER   3 -20.239  -7.816   2.031
   15    HG   SER   3           HG       SER   3 -21.589  -6.799   0.793
   16    H    TRP   4           HN       TRP   4 -20.160  -4.215   1.599
   17    HA   TRP   4           HA       TRP   4 -19.167  -2.099   1.310
   18   1HB   TRP   4          HB2       TRP   4 -20.414  -2.038   3.577
   19   2HB   TRP   4          HB1       TRP   4 -18.812  -2.118   4.306
   20    HD1  TRP   4           HD1      TRP   4 -20.778   0.043   1.775
   21    HE1  TRP   4           HE1      TRP   4 -19.872   2.454   1.903
   22    HE3  TRP   4           HE3      TRP   4 -16.966  -0.621   5.109
   23    HZ2  TRP   4           HZ2      TRP   4 -17.804   3.907   3.242
   24    HZ3  TRP   4           HZ3      TRP   4 -15.547   1.292   5.792
   25    HH2  TRP   4           HH2      TRP   4 -15.959   3.553   4.862
   26    H    LEU   5           HN       LEU   5 -17.363  -4.576   1.508
   27    HA   LEU   5           HA       LEU   5 -14.886  -3.555   2.727
   28   1HB   LEU   5          HB2       LEU   5 -13.981  -5.702   1.934
   29   2HB   LEU   5          HB1       LEU   5 -15.543  -5.958   2.709
   30    HG   LEU   5           HG       LEU   5 -16.076  -5.423  -0.030
   31   1HD1  LEU   5          HD11      LEU   5 -14.790  -7.206  -1.138
   32   2HD1  LEU   5          HD12      LEU   5 -13.925  -7.526   0.364
   33   3HD1  LEU   5          HD13      LEU   5 -13.706  -5.987  -0.469
   34   1HD2  LEU   5          HD21      LEU   5 -17.084  -7.020   1.844
   35   2HD2  LEU   5          HD22      LEU   5 -16.032  -8.208   1.073
   36   3HD2  LEU   5          HD23      LEU   5 -17.284  -7.397   0.132
   37    H    ARG   6           HN       ARG   6 -16.449  -3.218  -0.329
   38    HA   ARG   6           HA       ARG   6 -14.023  -2.870  -1.943
   39   1HB   ARG   6          HB2       ARG   6 -16.905  -3.031  -2.260
   40   2HB   ARG   6          HB1       ARG   6 -16.264  -1.666  -3.177
   41   1HG   ARG   6          HG2       ARG   6 -14.829  -4.295  -3.323
   42   2HG   ARG   6          HG1       ARG   6 -16.321  -4.090  -4.243
   43   1HD   ARG   6          HD2       ARG   6 -15.388  -2.084  -5.342
   44   2HD   ARG   6          HD1       ARG   6 -13.888  -2.271  -4.410
   45    HE   ARG   6           HE       ARG   6 -13.402  -4.286  -5.650
   46   1HH1  ARG   6          HH11      ARG   6 -14.301  -2.475  -7.894
   47   2HH1  ARG   6          HH12      ARG   6 -15.416  -3.492  -8.744
   48   1HH2  ARG   6          HH21      ARG   6 -15.748  -5.753  -6.123
   49   2HH2  ARG   6          HH22      ARG   6 -16.239  -5.359  -7.736
   50    H    ASP   7           HN       ASP   7 -15.552  -0.956   0.399
   51    HA   ASP   7           HA       ASP   7 -14.526   1.587  -0.821
   52   1HB   ASP   7          HB2       ASP   7 -17.043   1.137  -0.251
   53   2HB   ASP   7          HB1       ASP   7 -16.533   1.364   1.423
   54    H    ILE   8           HN       ILE   8 -14.743  -0.367   2.161
   55    HA   ILE   8           HA       ILE   8 -13.235   1.395   3.860
   56    HB   ILE   8           HB       ILE   8 -14.766  -0.625   4.389
   57   1HG1  ILE   8          HG12      ILE   8 -12.117  -0.655   5.846
   58   2HG1  ILE   8          HG11      ILE   8 -13.222   0.712   5.973
   59   1HG2  ILE   8          HG21      ILE   8 -13.816  -2.794   4.438
   60   2HG2  ILE   8          HG22      ILE   8 -12.180  -2.174   4.209
   61   3HG2  ILE   8          HG23      ILE   8 -13.331  -2.142   2.873
   62   1HD1  ILE   8          HD11      ILE   8 -15.025  -0.895   6.677
   63   2HD1  ILE   8          HD12      ILE   8 -13.681  -0.794   7.814
   64   3HD1  ILE   8          HD13      ILE   8 -13.805  -2.168   6.715
   65    H    TRP   9           HN       TRP   9 -12.251  -0.865   1.371
   66    HA   TRP   9           HA       TRP   9  -9.598  -1.441   2.257
   67   1HB   TRP   9          HB2       TRP   9  -9.332  -2.332   0.084
   68   2HB   TRP   9          HB1       TRP   9 -11.059  -2.469   0.390
   69    HD1  TRP   9           HD1      TRP   9 -12.195   0.261  -0.354
   70    HE1  TRP   9           HE1      TRP   9 -12.037   1.214  -2.743
   71    HE3  TRP   9           HE3      TRP   9  -8.291  -2.493  -2.138
   72    HZ2  TRP   9           HZ2      TRP   9 -10.460   0.853  -5.103
   73    HZ3  TRP   9           HZ3      TRP   9  -7.478  -2.172  -4.457
   74    HH2  TRP   9           HH2      TRP   9  -8.558  -0.504  -5.942
   75    H    ASP  10           HN       ASP  10 -10.934   1.471   0.818
   76    HA   ASP  10           HA       ASP  10  -8.491   2.594  -0.217
   77   1HB   ASP  10          HB2       ASP  10 -10.698   3.408  -0.852
   78   2HB   ASP  10          HB1       ASP  10 -11.080   3.799   0.826
   79    H    TRP  11           HN       TRP  11 -10.057   2.646   2.972
   80    HA   TRP  11           HA       TRP  11  -8.417   4.580   4.272
   81   1HB   TRP  11          HB2       TRP  11 -10.212   3.987   5.582
   82   2HB   TRP  11          HB1       TRP  11 -10.259   2.351   4.941
   83    HD1  TRP  11           HD1      TRP  11  -7.274   3.946   6.784
   84    HE1  TRP  11           HE1      TRP  11  -6.792   2.567   8.904
   85    HE3  TRP  11           HE3      TRP  11 -11.173   0.675   6.593
   86    HZ2  TRP  11           HZ2      TRP  11  -7.919   0.358  10.333
   87    HZ3  TRP  11           HZ3      TRP  11 -11.450  -1.059   8.341
   88    HH2  TRP  11           HH2      TRP  11  -9.829  -1.222  10.210
   89    H    ILE  12           HN       ILE  12  -8.038   1.019   4.020
   90    HA   ILE  12           HA       ILE  12  -5.447   1.017   5.367
   91    HB   ILE  12           HB       ILE  12  -6.797  -1.044   3.597
   92   1HG1  ILE  12          HG12      ILE  12  -7.025  -1.708   6.346
   93   2HG1  ILE  12          HG11      ILE  12  -7.517  -0.021   6.197
   94   1HG2  ILE  12          HG21      ILE  12  -4.445  -1.084   5.457
   95   2HG2  ILE  12          HG22      ILE  12  -4.636  -1.857   3.884
   96   3HG2  ILE  12          HG23      ILE  12  -5.436  -2.535   5.301
   97   1HD1  ILE  12          HD11      ILE  12  -8.644  -1.383   3.982
   98   2HD1  ILE  12          HD12      ILE  12  -9.492  -0.709   5.374
   99   3HD1  ILE  12          HD13      ILE  12  -8.949  -2.387   5.399
  100    H    CYS  13           HN       CYS  13  -6.550   1.308   2.026
  101    HA   CYS  13           HA       CYS  13  -4.193   0.573   0.630
  102   1HB   CYS  13          HB2       CYS  13  -6.465   1.091  -0.307
  103   2HB   CYS  13          HB1       CYS  13  -6.153   2.801  -0.011
  104    HG   CYS  13           HG       CYS  13  -3.992   2.444  -1.651
  105    H    GLU  14           HN       GLU  14  -5.149   3.766   1.955
  106    HA   GLU  14           HA       GLU  14  -2.742   5.138   1.114
  107   1HB   GLU  14          HB2       GLU  14  -5.018   6.105   1.725
  108   2HB   GLU  14          HB1       GLU  14  -4.612   5.794   3.414
  109   1HG   GLU  14          HG2       GLU  14  -2.367   7.094   2.647
  110   2HG   GLU  14          HG1       GLU  14  -3.528   7.843   1.552
  111    H    VAL  15           HN       VAL  15  -3.783   3.704   4.231
  112    HA   VAL  15           HA       VAL  15  -1.429   4.352   5.732
  113    HB   VAL  15           HB       VAL  15  -3.534   2.174   5.904
  114   1HG1  VAL  15          HG11      VAL  15  -2.644   2.126   8.376
  115   2HG1  VAL  15          HG12      VAL  15  -1.152   2.734   7.656
  116   3HG1  VAL  15          HG13      VAL  15  -1.812   1.180   7.140
  117   1HG2  VAL  15          HG21      VAL  15  -4.462   4.332   6.320
  118   2HG2  VAL  15          HG22      VAL  15  -3.058   4.835   7.263
  119   3HG2  VAL  15          HG23      VAL  15  -4.175   3.635   7.914
  120    H    LEU  16           HN       LEU  16  -2.207   1.621   3.588
  121    HA   LEU  16           HA       LEU  16   0.010  -0.075   4.223
  122   1HB   LEU  16          HB2       LEU  16  -2.067  -0.611   2.890
  123   2HB   LEU  16          HB1       LEU  16  -1.389   0.324   1.558
  124    HG   LEU  16           HG       LEU  16   0.664  -1.430   2.385
  125   1HD1  LEU  16          HD11      LEU  16  -1.910  -2.958   1.935
  126   2HD1  LEU  16          HD12      LEU  16  -1.238  -2.665   3.539
  127   3HD1  LEU  16          HD13      LEU  16  -0.328  -3.611   2.361
  128   1HD2  LEU  16          HD21      LEU  16   0.014  -0.565   0.076
  129   2HD2  LEU  16          HD22      LEU  16  -1.230  -1.815   0.051
  130   3HD2  LEU  16          HD23      LEU  16   0.472  -2.267   0.142
  131    H    SER  17           HN       SER  17  -0.281   2.738   2.070
  132    HA   SER  17           HA       SER  17   2.161   2.442   0.616
  133   1HB   SER  17          HB2       SER  17   0.071   4.142   0.576
  134   2HB   SER  17          HB1       SER  17   1.213   5.146   1.465
  135    HG   SER  17           HG       SER  17   2.581   5.106  -0.237
  136    H    ASP  18           HN       ASP  18   1.465   3.917   3.792
  137    HA   ASP  18           HA       ASP  18   4.088   4.999   4.277
  138   1HB   ASP  18          HB2       ASP  18   1.868   4.010   6.101
  139   2HB   ASP  18          HB1       ASP  18   3.269   4.920   6.667
  140    H    PHE  19           HN       PHE  19   2.716   1.769   4.601
  141    HA   PHE  19           HA       PHE  19   5.020   0.732   6.129
  142   1HB   PHE  19          HB2       PHE  19   2.412   0.120   6.095
  143   2HB   PHE  19          HB1       PHE  19   2.943  -0.991   4.832
  144    HD1  PHE  19           HD1      PHE  19   4.046  -3.011   5.381
  145    HD2  PHE  19           HD2      PHE  19   3.629   0.066   8.350
  146    HE1  PHE  19           HE1      PHE  19   4.912  -4.562   7.112
  147    HE2  PHE  19           HE2      PHE  19   4.494  -1.486  10.079
  148    HZ   PHE  19           HZ       PHE  19   5.136  -3.800   9.460
  149    H    LYS  20           HN       LYS  20   3.956   0.963   2.785
  150    HA   LYS  20           HA       LYS  20   5.941  -1.043   1.866
  151   1HB   LYS  20          HB2       LYS  20   3.427  -0.393   1.062
  152   2HB   LYS  20          HB1       LYS  20   4.374   0.607  -0.043
  153   1HG   LYS  20          HG2       LYS  20   5.782  -1.557  -0.417
  154   2HG   LYS  20          HG1       LYS  20   4.386  -2.389   0.268
  155   1HD   LYS  20          HD2       LYS  20   2.942  -1.235  -1.437
  156   2HD   LYS  20          HD1       LYS  20   4.410  -0.599  -2.179
  157   1HE   LYS  20          HE2       LYS  20   4.186  -3.563  -1.684
  158   2HE   LYS  20          HE1       LYS  20   3.392  -2.847  -3.100
  159   1HZ   LYS  20          HZ1       LYS  20   5.757  -3.518  -3.475
  160   2HZ   LYS  20          HZ2       LYS  20   6.225  -2.319  -2.367
  161   3HZ   LYS  20          HZ3       LYS  20   5.434  -1.887  -3.808
  162    H    THR  21           HN       THR  21   5.655   2.415   2.252
  163    HA   THR  21           HA       THR  21   7.336   3.405   0.201
  164    HB   THR  21           HB       THR  21   5.946   4.677   1.895
  165    HG1  THR  21           HG1      THR  21   7.179   6.377   1.590
  166   1HG2  THR  21          HG21      THR  21   6.982   3.332   3.846
  167   2HG2  THR  21          HG22      THR  21   6.722   5.058   4.090
  168   3HG2  THR  21          HG23      THR  21   8.336   4.453   3.718
  169    H    TRP  22           HN       TRP  22   8.178   1.853   3.288
  170    HA   TRP  22           HA       TRP  22  11.024   2.377   3.136
  171   1HB   TRP  22          HB2       TRP  22   9.877   1.836   5.229
  172   2HB   TRP  22          HB1       TRP  22   9.353   0.284   4.574
  173    HD1  TRP  22           HD1      TRP  22  12.431   2.099   5.901
  174    HE1  TRP  22           HE1      TRP  22  14.292   0.370   6.344
  175    HE3  TRP  22           HE3      TRP  22  10.275  -2.056   3.875
  176    HZ2  TRP  22           HZ2      TRP  22  14.797  -2.412   5.899
  177    HZ3  TRP  22           HZ3      TRP  22  11.462  -4.230   3.894
  178    HH2  TRP  22           HH2      TRP  22  13.718  -4.414   4.901
  179    H    LEU  23           HN       LEU  23   8.917  -0.305   2.075
  180    HA   LEU  23           HA       LEU  23  10.921  -2.165   1.293
  181   1HB   LEU  23          HB2       LEU  23   8.084  -1.744   1.004
  182   2HB   LEU  23          HB1       LEU  23   8.744  -2.241  -0.553
  183    HG   LEU  23           HG       LEU  23   8.188  -4.267   0.571
  184   1HD1  LEU  23          HD11      LEU  23  11.079  -4.090   1.350
  185   2HD1  LEU  23          HD12      LEU  23  10.644  -3.915  -0.350
  186   3HD1  LEU  23          HD13      LEU  23  10.222  -5.389   0.521
  187   1HD2  LEU  23          HD21      LEU  23   7.897  -4.131   2.806
  188   2HD2  LEU  23          HD22      LEU  23   8.949  -2.722   2.926
  189   3HD2  LEU  23          HD23      LEU  23   9.641  -4.344   2.955
  190    H    LYS  24           HN       LYS  24   9.503   0.602  -0.463
  191    HA   LYS  24           HA       LYS  24  10.820   0.147  -2.980
  192   1HB   LYS  24          HB2       LYS  24   8.867   1.656  -2.536
  193   2HB   LYS  24          HB1       LYS  24   9.943   2.739  -1.652
  194   1HG   LYS  24          HG2       LYS  24  10.878   1.993  -4.359
  195   2HG   LYS  24          HG1       LYS  24   9.409   2.968  -4.323
  196   1HD   LYS  24          HD2       LYS  24  10.497   4.814  -3.551
  197   2HD   LYS  24          HD1       LYS  24  11.535   3.872  -2.478
  198   1HE   LYS  24          HE2       LYS  24  12.847   3.128  -4.500
  199   2HE   LYS  24          HE1       LYS  24  11.887   4.261  -5.473
  200   1HZ   LYS  24          HZ1       LYS  24  12.547   6.053  -3.999
  201   2HZ   LYS  24          HZ2       LYS  24  13.927   5.302  -4.646
  202   3HZ   LYS  24          HZ3       LYS  24  13.453   4.980  -3.047
  203    H    ALA  25           HN       ALA  25  11.746   1.940  -0.041
  204    HA   ALA  25           HA       ALA  25  14.199   3.050  -1.110
  205   1HB   ALA  25          HB1       ALA  25  12.997   2.583   1.620
  206   2HB   ALA  25          HB2       ALA  25  13.239   4.112   0.775
  207   3HB   ALA  25          HB3       ALA  25  14.621   3.251   1.453
  208    H    LYS  26           HN       LYS  26  13.465   0.159   0.879
  209    HA   LYS  26           HA       LYS  26  16.226  -0.706   1.090
  210   1HB   LYS  26          HB2       LYS  26  14.160  -1.254   2.543
  211   2HB   LYS  26          HB1       LYS  26  13.750  -2.431   1.294
  212   1HG   LYS  26          HG2       LYS  26  15.014  -3.667   2.876
  213   2HG   LYS  26          HG1       LYS  26  16.158  -3.310   1.582
  214   1HD   LYS  26          HD2       LYS  26  16.340  -1.091   3.259
  215   2HD   LYS  26          HD1       LYS  26  16.193  -2.448   4.373
  216   1HE   LYS  26          HE2       LYS  26  18.058  -2.831   2.075
  217   2HE   LYS  26          HE1       LYS  26  18.575  -1.704   3.344
  218   1HZ   LYS  26          HZ1       LYS  26  17.652  -4.506   3.727
  219   2HZ   LYS  26          HZ2       LYS  26  17.959  -3.419   4.996
  220   3HZ   LYS  26          HZ3       LYS  26  19.223  -3.917   3.976
  221    H    LEU  27           HN       LEU  27  13.630  -1.279  -1.250
  222    HA   LEU  27           HA       LEU  27  14.833  -3.545  -2.586
  223   1HB   LEU  27          HB2       LEU  27  12.423  -2.730  -2.630
  224   2HB   LEU  27          HB1       LEU  27  12.956  -1.445  -3.713
  225    HG   LEU  27           HG       LEU  27  13.812  -4.182  -4.465
  226   1HD1  LEU  27          HD11      LEU  27  10.946  -3.347  -4.950
  227   2HD1  LEU  27          HD12      LEU  27  11.402  -4.375  -3.590
  228   3HD1  LEU  27          HD13      LEU  27  11.687  -4.920  -5.243
  229   1HD2  LEU  27          HD21      LEU  27  13.535  -3.332  -6.656
  230   2HD2  LEU  27          HD22      LEU  27  14.085  -1.933  -5.735
  231   3HD2  LEU  27          HD23      LEU  27  12.375  -2.112  -6.130
  232    H    MET  28           HN       MET  28  15.124  -0.023  -2.987
  233    HA   MET  28           HA       MET  28  16.830  -0.353  -5.393
  234   1HB   MET  28          HB2       MET  28  14.929   1.426  -4.766
  235   2HB   MET  28          HB1       MET  28  16.303   2.269  -4.048
  236   1HG   MET  28          HG2       MET  28  16.937   2.976  -6.086
  237   2HG   MET  28          HG1       MET  28  17.112   1.301  -6.612
  238   1HE   MET  28          HE1       MET  28  14.763   1.057  -9.330
  239   2HE   MET  28          HE2       MET  28  15.752   0.145  -8.192
  240   3HE   MET  28          HE3       MET  28  16.436   1.541  -9.021
  241    HA   PRO  29           HA       PRO  29  20.320  -0.274  -2.550
  242   1HB   PRO  29          HB2       PRO  29  22.215  -0.856  -4.435
  243   2HB   PRO  29          HB1       PRO  29  21.168  -2.088  -3.706
  244   1HG   PRO  29          HG2       PRO  29  20.976  -0.771  -6.362
  245   2HG   PRO  29          HG1       PRO  29  20.618  -2.442  -5.899
  246   1HD   PRO  29          HD2       PRO  29  18.711  -0.511  -6.304
  247   2HD   PRO  29          HD1       PRO  29  18.483  -1.946  -5.281
  248    H    GLN  30           HN       GLN  30  22.709   0.796  -3.023
  249    HA   GLN  30           HA       GLN  30  22.308   3.623  -3.241
  250   1HB   GLN  30          HB2       GLN  30  24.278   1.883  -2.395
  251   2HB   GLN  30          HB1       GLN  30  25.004   2.583  -3.842
  252   1HG   GLN  30          HG2       GLN  30  23.753   4.238  -1.633
  253   2HG   GLN  30          HG1       GLN  30  25.475   3.866  -1.716
  254   1HE2  GLN  30          HE21      GLN  30  26.585   4.563  -3.844
  255   2HE2  GLN  30          HE22      GLN  30  26.027   5.983  -4.588
  256    H    LEU  31           HN       LEU  31  22.087   4.865  -5.060
  257    HA   LEU  31           HA       LEU  31  23.472   4.111  -7.570
  258   1HB   LEU  31          HB2       LEU  31  21.060   3.051  -7.202
  259   2HB   LEU  31          HB1       LEU  31  20.523   4.653  -7.709
  260    HG   LEU  31           HG       LEU  31  22.332   4.258  -9.628
  261   1HD1  LEU  31          HD11      LEU  31  22.708   2.021 -10.209
  262   2HD1  LEU  31          HD12      LEU  31  21.334   1.443  -9.267
  263   3HD1  LEU  31          HD13      LEU  31  22.807   1.965  -8.450
  264   1HD2  LEU  31          HD21      LEU  31  19.895   4.656  -9.927
  265   2HD2  LEU  31          HD22      LEU  31  19.596   2.943  -9.630
  266   3HD2  LEU  31          HD23      LEU  31  20.507   3.446 -11.055
  Start of MODEL   22
    1   1H    SER   1           HT1      SER   1 -20.100   7.172   8.270
    2   2H    SER   1           HT2      SER   1 -20.786   7.068   9.822
    3   3H    SER   1           HT3      SER   1 -20.777   8.550   8.991
    4    HA   SER   1           HA       SER   1 -22.986   7.476   8.948
    5   1HB   SER   1          HB2       SER   1 -21.528   7.650   6.291
    6   2HB   SER   1          HB1       SER   1 -23.251   7.901   6.556
    7    HG   SER   1           HG       SER   1 -22.400   9.906   6.590
    8    H    GLY   2           HN       GLY   2 -20.756   5.775   6.690
    9   1HA   GLY   2          HA2       GLY   2 -21.960   3.192   7.554
   10   2HA   GLY   2          HA1       GLY   2 -21.960   3.594   5.835
   11    H    SER   3           HN       SER   3 -19.731   4.218   4.950
   12    HA   SER   3           HA       SER   3 -17.548   3.495   4.432
   13   1HB   SER   3          HB2       SER   3 -17.592   3.707   7.448
   14   2HB   SER   3          HB1       SER   3 -16.109   3.395   6.552
   15    HG   SER   3           HG       SER   3 -16.289   5.352   5.570
   16    H    TRP   4           HN       TRP   4 -19.053   1.387   3.979
   17    HA   TRP   4           HA       TRP   4 -18.288  -0.910   5.680
   18   1HB   TRP   4          HB2       TRP   4 -20.527  -0.193   4.274
   19   2HB   TRP   4          HB1       TRP   4 -19.763  -1.301   3.138
   20    HD1  TRP   4           HD1      TRP   4 -22.462  -1.949   4.759
   21    HE1  TRP   4           HE1      TRP   4 -22.538  -4.051   6.246
   22    HE3  TRP   4           HE3      TRP   4 -17.456  -2.730   5.470
   23    HZ2  TRP   4           HZ2      TRP   4 -20.728  -5.826   7.562
   24    HZ3  TRP   4           HZ3      TRP   4 -16.668  -4.631   6.843
   25    HH2  TRP   4           HH2      TRP   4 -18.295  -6.180   7.889
   26    H    LEU   5           HN       LEU   5 -18.413  -2.589   3.067
   27    HA   LEU   5           HA       LEU   5 -15.663  -3.059   2.678
   28   1HB   LEU   5          HB2       LEU   5 -18.226  -3.670   1.354
   29   2HB   LEU   5          HB1       LEU   5 -16.831  -3.740   0.279
   30    HG   LEU   5           HG       LEU   5 -15.692  -5.168   2.065
   31   1HD1  LEU   5          HD11      LEU   5 -17.061  -4.703   3.979
   32   2HD1  LEU   5          HD12      LEU   5 -17.369  -6.383   3.544
   33   3HD1  LEU   5          HD13      LEU   5 -18.535  -5.131   3.111
   34   1HD2  LEU   5          HD21      LEU   5 -16.561  -6.174   0.027
   35   2HD2  LEU   5          HD22      LEU   5 -18.200  -6.164   0.677
   36   3HD2  LEU   5          HD23      LEU   5 -16.977  -7.217   1.386
   37    H    ARG   6           HN       ARG   6 -17.708  -0.580   1.228
   38    HA   ARG   6           HA       ARG   6 -16.019   0.111  -1.003
   39   1HB   ARG   6          HB2       ARG   6 -18.082   1.601   0.651
   40   2HB   ARG   6          HB1       ARG   6 -17.344   2.288  -0.797
   41   1HG   ARG   6          HG2       ARG   6 -18.655  -0.431  -0.863
   42   2HG   ARG   6          HG1       ARG   6 -19.602   1.042  -1.068
   43   1HD   ARG   6          HD2       ARG   6 -17.868   1.682  -2.888
   44   2HD   ARG   6          HD1       ARG   6 -17.400  -0.030  -2.841
   45    HE   ARG   6           HE       ARG   6 -19.641  -0.628  -3.562
   46   1HH1  ARG   6          HH21      ARG   6 -19.081   1.450  -5.597
   47   2HH1  ARG   6          HH22      ARG   6 -20.461   2.489  -5.477
   48   1HH2  ARG   6          HH11      ARG   6 -21.432   1.273  -2.368
   49   2HH2  ARG   6          HH12      ARG   6 -21.798   2.388  -3.641
   50    H    ASP   7           HN       ASP   7 -16.095   1.176   2.398
   51    HA   ASP   7           HA       ASP   7 -13.819   3.032   1.905
   52   1HB   ASP   7          HB2       ASP   7 -16.086   3.292   3.348
   53   2HB   ASP   7          HB1       ASP   7 -15.028   2.636   4.599
   54    H    ILE   8           HN       ILE   8 -14.501  -0.127   3.281
   55    HA   ILE   8           HA       ILE   8 -12.110  -0.223   4.960
   56    HB   ILE   8           HB       ILE   8 -14.447  -1.526   4.965
   57   1HG1  ILE   8          HG12      ILE   8 -12.222  -3.315   5.750
   58   2HG1  ILE   8          HG11      ILE   8 -12.129  -1.675   6.395
   59   1HG2  ILE   8          HG21      ILE   8 -14.374  -3.694   3.992
   60   2HG2  ILE   8          HG22      ILE   8 -12.649  -3.570   3.649
   61   3HG2  ILE   8          HG23      ILE   8 -13.804  -2.609   2.724
   62   1HD1  ILE   8          HD11      ILE   8 -14.422  -1.881   7.274
   63   2HD1  ILE   8          HD12      ILE   8 -13.390  -3.160   7.916
   64   3HD1  ILE   8          HD13      ILE   8 -14.531  -3.516   6.618
   65    H    TRP   9           HN       TRP   9 -12.262  -0.039   1.691
   66    HA   TRP   9           HA       TRP   9 -10.068  -2.033   1.247
   67   1HB   TRP   9          HB2       TRP   9 -11.994  -2.390  -0.183
   68   2HB   TRP   9          HB1       TRP   9 -12.076  -0.677  -0.590
   69    HD1  TRP   9           HD1      TRP   9 -10.158  -3.864  -1.367
   70    HE1  TRP   9           HE1      TRP   9  -8.655  -3.461  -3.422
   71    HE3  TRP   9           HE3      TRP   9 -10.758   1.176  -1.929
   72    HZ2  TRP   9           HZ2      TRP   9  -7.818  -1.289  -5.086
   73    HZ3  TRP   9           HZ3      TRP   9  -9.598   2.386  -3.754
   74    HH2  TRP   9           HH2      TRP   9  -8.130   1.161  -5.330
   75    H    ASP  10           HN       ASP  10 -11.110   1.306   0.443
   76    HA   ASP  10           HA       ASP  10  -8.595   2.158  -0.664
   77   1HB   ASP  10          HB2       ASP  10 -11.096   3.153  -0.549
   78   2HB   ASP  10          HB1       ASP  10 -10.382   4.068   0.779
   79    H    TRP  11           HN       TRP  11  -9.939   2.227   2.639
   80    HA   TRP  11           HA       TRP  11  -7.853   3.757   3.875
   81   1HB   TRP  11          HB2       TRP  11  -9.114   3.334   5.750
   82   2HB   TRP  11          HB1       TRP  11 -10.274   2.721   4.584
   83    HD1  TRP  11           HD1      TRP  11  -9.969  -0.020   4.045
   84    HE1  TRP  11           HE1      TRP  11  -9.548  -1.915   5.739
   85    HE3  TRP  11           HE3      TRP  11  -8.101   2.693   7.940
   86    HZ2  TRP  11           HZ2      TRP  11  -8.541  -2.236   8.398
   87    HZ3  TRP  11           HZ3      TRP  11  -7.414   1.568  10.037
   88    HH2  TRP  11           HH2      TRP  11  -7.631  -0.890  10.273
   89    H    ILE  12           HN       ILE  12  -7.977   0.427   2.791
   90    HA   ILE  12           HA       ILE  12  -5.577  -0.321   4.364
   91    HB   ILE  12           HB       ILE  12  -7.867  -1.630   3.601
   92   1HG1  ILE  12          HG12      ILE  12  -6.784  -3.641   4.423
   93   2HG1  ILE  12          HG11      ILE  12  -5.190  -2.972   4.077
   94   1HG2  ILE  12          HG21      ILE  12  -6.882  -1.624   1.216
   95   2HG2  ILE  12          HG22      ILE  12  -7.458  -3.164   1.850
   96   3HG2  ILE  12          HG23      ILE  12  -5.730  -2.812   1.827
   97   1HD1  ILE  12          HD11      ILE  12  -6.834  -1.226   5.770
   98   2HD1  ILE  12          HD12      ILE  12  -5.164  -1.752   5.984
   99   3HD1  ILE  12          HD13      ILE  12  -6.489  -2.791   6.506
  100    H    CYS  13           HN       CYS  13  -6.392   0.826   1.179
  101    HA   CYS  13           HA       CYS  13  -3.962  -0.242  -0.090
  102   1HB   CYS  13          HB2       CYS  13  -6.370   0.293  -1.045
  103   2HB   CYS  13          HB1       CYS  13  -5.717   1.924  -1.220
  104    HG   CYS  13           HG       CYS  13  -5.085  -0.366  -3.048
  105    H    GLU  14           HN       GLU  14  -5.173   2.949   1.008
  106    HA   GLU  14           HA       GLU  14  -2.869   4.469   0.181
  107   1HB   GLU  14          HB2       GLU  14  -5.389   4.903   1.314
  108   2HB   GLU  14          HB1       GLU  14  -4.264   5.446   2.560
  109   1HG   GLU  14          HG2       GLU  14  -3.398   7.136   1.240
  110   2HG   GLU  14          HG1       GLU  14  -3.729   6.276  -0.263
  111    H    VAL  15           HN       VAL  15  -3.756   2.989   3.328
  112    HA   VAL  15           HA       VAL  15  -1.443   3.843   4.784
  113    HB   VAL  15           HB       VAL  15  -3.646   2.842   5.612
  114   1HG1  VAL  15          HG11      VAL  15  -2.250   0.204   5.102
  115   2HG1  VAL  15          HG12      VAL  15  -3.495   0.854   4.034
  116   3HG1  VAL  15          HG13      VAL  15  -3.886   0.459   5.707
  117   1HG2  VAL  15          HG21      VAL  15  -1.181   1.473   6.717
  118   2HG2  VAL  15          HG22      VAL  15  -2.639   1.938   7.593
  119   3HG2  VAL  15          HG23      VAL  15  -1.536   3.178   6.997
  120    H    LEU  16           HN       LEU  16  -1.961   1.173   2.531
  121    HA   LEU  16           HA       LEU  16   0.372  -0.390   3.145
  122   1HB   LEU  16          HB2       LEU  16  -1.819  -0.494   1.441
  123   2HB   LEU  16          HB1       LEU  16  -0.471  -0.274   0.326
  124    HG   LEU  16           HG       LEU  16  -0.329  -2.321   2.535
  125   1HD1  LEU  16          HD11      LEU  16  -2.408  -2.622   1.079
  126   2HD1  LEU  16          HD12      LEU  16  -1.287  -3.984   1.110
  127   3HD1  LEU  16          HD13      LEU  16  -1.306  -2.889  -0.273
  128   1HD2  LEU  16          HD21      LEU  16   1.776  -2.126   1.563
  129   2HD2  LEU  16          HD22      LEU  16   1.120  -1.684  -0.013
  130   3HD2  LEU  16          HD23      LEU  16   1.064  -3.361   0.527
  131    H    SER  17           HN       SER  17  -0.171   2.399   0.981
  132    HA   SER  17           HA       SER  17   2.317   2.422  -0.389
  133   1HB   SER  17          HB2       SER  17   0.539   4.683   0.586
  134   2HB   SER  17          HB1       SER  17   1.804   4.864  -0.625
  135    HG   SER  17           HG       SER  17   0.264   4.310  -1.951
  136    H    ASP  18           HN       ASP  18   1.412   4.079   2.669
  137    HA   ASP  18           HA       ASP  18   3.901   5.281   3.277
  138   1HB   ASP  18          HB2       ASP  18   1.742   4.034   5.013
  139   2HB   ASP  18          HB1       ASP  18   3.050   5.021   5.663
  140    H    PHE  19           HN       PHE  19   2.731   1.987   4.021
  141    HA   PHE  19           HA       PHE  19   5.145   1.130   5.383
  142   1HB   PHE  19          HB2       PHE  19   2.572   0.248   5.118
  143   2HB   PHE  19          HB1       PHE  19   3.405  -0.854   4.021
  144    HD1  PHE  19           HD1      PHE  19   2.346  -0.500   7.303
  145    HD2  PHE  19           HD2      PHE  19   5.823  -1.652   5.056
  146    HE1  PHE  19           HE1      PHE  19   3.172  -1.802   9.245
  147    HE2  PHE  19           HE2      PHE  19   6.647  -2.952   6.999
  148    HZ   PHE  19           HZ       PHE  19   5.322  -3.028   9.094
  149    H    LYS  20           HN       LYS  20   3.929   0.839   2.032
  150    HA   LYS  20           HA       LYS  20   6.011  -0.854   1.016
  151   1HB   LYS  20          HB2       LYS  20   3.730  -0.158   0.029
  152   2HB   LYS  20          HB1       LYS  20   4.542   1.314  -0.505
  153   1HG   LYS  20          HG2       LYS  20   6.237  -0.104  -1.681
  154   2HG   LYS  20          HG1       LYS  20   5.299  -1.531  -1.237
  155   1HD   LYS  20          HD2       LYS  20   3.873   0.717  -2.600
  156   2HD   LYS  20          HD1       LYS  20   4.924  -0.308  -3.576
  157   1HE   LYS  20          HE2       LYS  20   2.950  -1.597  -1.701
  158   2HE   LYS  20          HE1       LYS  20   2.402  -1.000  -3.279
  159   1HZ   LYS  20          HZ1       LYS  20   3.190  -3.277  -3.465
  160   2HZ   LYS  20          HZ2       LYS  20   4.696  -2.839  -2.814
  161   3HZ   LYS  20          HZ3       LYS  20   4.212  -2.235  -4.327
  162    H    THR  21           HN       THR  21   5.684   2.715   1.096
  163    HA   THR  21           HA       THR  21   8.093   3.390  -0.265
  164    HB   THR  21           HB       THR  21   6.787   4.834   2.069
  165    HG1  THR  21           HG1      THR  21   6.092   4.667  -0.672
  166   1HG2  THR  21          HG21      THR  21   7.576   6.851   0.858
  167   2HG2  THR  21          HG22      THR  21   8.352   5.813  -0.338
  168   3HG2  THR  21          HG23      THR  21   8.914   5.804   1.334
  169    H    TRP  22           HN       TRP  22   7.484   2.689   3.181
  170    HA   TRP  22           HA       TRP  22  10.130   3.272   4.146
  171   1HB   TRP  22          HB2       TRP  22   8.282   3.133   5.666
  172   2HB   TRP  22          HB1       TRP  22   7.817   1.542   5.067
  173    HD1  TRP  22           HD1      TRP  22  10.498   3.275   7.192
  174    HE1  TRP  22           HE1      TRP  22  11.640   1.502   8.675
  175    HE3  TRP  22           HE3      TRP  22   8.335  -0.959   5.331
  176    HZ2  TRP  22           HZ2      TRP  22  11.635  -1.340   9.027
  177    HZ3  TRP  22           HZ3      TRP  22   8.918  -3.181   6.258
  178    HH2  TRP  22           HH2      TRP  22  10.564  -3.378   8.097
  179    H    LEU  23           HN       LEU  23   8.591   0.249   2.997
  180    HA   LEU  23           HA       LEU  23  10.891  -1.440   3.471
  181   1HB   LEU  23          HB2       LEU  23   8.199  -1.588   2.377
  182   2HB   LEU  23          HB1       LEU  23   9.326  -2.540   1.411
  183    HG   LEU  23           HG       LEU  23   9.588  -2.777   4.362
  184   1HD1  LEU  23          HD11      LEU  23   7.083  -2.786   3.797
  185   2HD1  LEU  23          HD12      LEU  23   7.708  -4.196   4.653
  186   3HD1  LEU  23          HD13      LEU  23   7.405  -4.279   2.917
  187   1HD2  LEU  23          HD21      LEU  23  10.984  -4.014   2.677
  188   2HD2  LEU  23          HD22      LEU  23   9.520  -4.840   2.141
  189   3HD2  LEU  23          HD23      LEU  23  10.114  -5.074   3.785
  190    H    LYS  24           HN       LYS  24   9.646   0.223   0.545
  191    HA   LYS  24           HA       LYS  24  11.644  -0.748  -1.276
  192   1HB   LYS  24          HB2       LYS  24   9.354   0.571  -1.541
  193   2HB   LYS  24          HB1       LYS  24  10.413   1.981  -1.509
  194   1HG   LYS  24          HG2       LYS  24  10.408   1.517  -3.783
  195   2HG   LYS  24          HG1       LYS  24  11.806   0.573  -3.271
  196   1HD   LYS  24          HD2       LYS  24  10.801  -1.374  -3.816
  197   2HD   LYS  24          HD1       LYS  24   9.322  -0.928  -2.964
  198   1HE   LYS  24          HE2       LYS  24   8.605   0.434  -4.904
  199   2HE   LYS  24          HE1       LYS  24  10.087  -0.023  -5.766
  200   1HZ   LYS  24          HZ1       LYS  24   7.881  -1.784  -4.864
  201   2HZ   LYS  24          HZ2       LYS  24   9.415  -2.401  -5.255
  202   3HZ   LYS  24          HZ3       LYS  24   8.494  -1.594  -6.433
  203    H    ALA  25           HN       ALA  25  11.531   2.135   0.830
  204    HA   ALA  25           HA       ALA  25  13.973   3.344  -0.109
  205   1HB   ALA  25          HB1       ALA  25  13.753   4.594   2.054
  206   2HB   ALA  25          HB2       ALA  25  12.472   3.479   2.528
  207   3HB   ALA  25          HB3       ALA  25  12.245   4.544   1.141
  208    H    LYS  26           HN       LYS  26  13.269   0.940   2.423
  209    HA   LYS  26           HA       LYS  26  15.937   0.924   3.567
  210   1HB   LYS  26          HB2       LYS  26  13.799   0.201   4.670
  211   2HB   LYS  26          HB1       LYS  26  13.758  -1.192   3.589
  212   1HG   LYS  26          HG2       LYS  26  16.340  -0.846   4.959
  213   2HG   LYS  26          HG1       LYS  26  14.992  -1.145   6.058
  214   1HD   LYS  26          HD2       LYS  26  14.682  -3.278   5.309
  215   2HD   LYS  26          HD1       LYS  26  15.042  -2.848   3.636
  216   1HE   LYS  26          HE2       LYS  26  17.496  -2.608   4.389
  217   2HE   LYS  26          HE1       LYS  26  17.000  -3.459   5.864
  218   1HZ   LYS  26          HZ1       LYS  26  17.639  -5.118   4.315
  219   2HZ   LYS  26          HZ2       LYS  26  16.750  -4.400   3.059
  220   3HZ   LYS  26          HZ3       LYS  26  15.943  -5.144   4.356
  221    H    LEU  27           HN       LEU  27  14.356  -0.852   0.933
  222    HA   LEU  27           HA       LEU  27  16.413  -2.883   0.650
  223   1HB   LEU  27          HB2       LEU  27  13.879  -2.615  -0.180
  224   2HB   LEU  27          HB1       LEU  27  14.680  -1.997  -1.624
  225    HG   LEU  27           HG       LEU  27  16.174  -4.133  -1.405
  226   1HD1  LEU  27          HD11      LEU  27  15.054  -6.026  -0.344
  227   2HD1  LEU  27          HD12      LEU  27  13.690  -5.002   0.106
  228   3HD1  LEU  27          HD13      LEU  27  15.271  -4.741   0.842
  229   1HD2  LEU  27          HD21      LEU  27  14.450  -5.439  -2.683
  230   2HD2  LEU  27          HD22      LEU  27  14.641  -3.784  -3.263
  231   3HD2  LEU  27          HD23      LEU  27  13.261  -4.210  -2.252
  232    H    MET  28           HN       MET  28  15.681   0.141  -1.137
  233    HA   MET  28           HA       MET  28  17.012   1.452  -2.572
  234   1HB   MET  28          HB2       MET  28  18.181   1.286  -0.211
  235   2HB   MET  28          HB1       MET  28  19.390   0.355  -1.095
  236   1HG   MET  28          HG2       MET  28  19.779   2.191  -2.624
  237   2HG   MET  28          HG1       MET  28  18.436   3.106  -1.937
  238   1HE   MET  28          HE1       MET  28  19.064   5.102  -0.822
  239   2HE   MET  28          HE2       MET  28  19.780   5.060   0.787
  240   3HE   MET  28          HE3       MET  28  18.354   4.084   0.438
  241    HA   PRO  29           HA       PRO  29  18.401  -2.365  -4.919
  242   1HB   PRO  29          HB2       PRO  29  16.476  -2.312  -6.865
  243   2HB   PRO  29          HB1       PRO  29  16.277  -3.181  -5.332
  244   1HG   PRO  29          HG2       PRO  29  15.172  -0.561  -6.179
  245   2HG   PRO  29          HG1       PRO  29  14.450  -1.818  -5.166
  246   1HD   PRO  29          HD2       PRO  29  15.576   0.502  -4.207
  247   2HD   PRO  29          HD1       PRO  29  15.380  -0.991  -3.264
  248    H    GLN  30           HN       GLN  30  18.379  -2.223  -7.668
  249    HA   GLN  30           HA       GLN  30  20.227  -0.089  -8.262
  250   1HB   GLN  30          HB2       GLN  30  19.773  -2.490  -9.290
  251   2HB   GLN  30          HB1       GLN  30  18.690  -1.600 -10.359
  252   1HG   GLN  30          HG2       GLN  30  21.330  -0.337 -10.008
  253   2HG   GLN  30          HG1       GLN  30  21.387  -1.918 -10.787
  254   1HE2  GLN  30          HE21      GLN  30  20.300  -2.160 -12.874
  255   2HE2  GLN  30          HE22      GLN  30  19.786  -0.808 -13.763
  256    H    LEU  31           HN       LEU  31  19.403   2.000  -8.139
  257    HA   LEU  31           HA       LEU  31  16.924   2.610  -9.725
  258   1HB   LEU  31          HB2       LEU  31  17.857   3.245  -7.011
  259   2HB   LEU  31          HB1       LEU  31  17.306   4.664  -7.900
  260    HG   LEU  31           HG       LEU  31  15.226   3.306  -8.507
  261   1HD1  LEU  31          HD11      LEU  31  14.750   1.485  -6.778
  262   2HD1  LEU  31          HD12      LEU  31  16.472   1.529  -6.398
  263   3HD1  LEU  31          HD13      LEU  31  15.937   1.076  -8.016
  264   1HD2  LEU  31          HD21      LEU  31  15.340   5.092  -6.735
  265   2HD2  LEU  31          HD22      LEU  31  15.671   3.827  -5.552
  266   3HD2  LEU  31          HD23      LEU  31  14.131   3.849  -6.410
  Start of MODEL   23
    1   1H    SER   1           HT1      SER   1 -14.695 -12.125   1.952
    2   2H    SER   1           HT2      SER   1 -13.187 -11.901   1.204
    3   3H    SER   1           HT3      SER   1 -13.668 -13.451   1.704
    4    HA   SER   1           HA       SER   1 -13.897 -13.206  -0.709
    5   1HB   SER   1          HB2       SER   1 -15.395 -14.573   0.871
    6   2HB   SER   1          HB1       SER   1 -16.582 -13.284   0.692
    7    HG   SER   1           HG       SER   1 -16.611 -15.182  -0.830
    8    H    GLY   2           HN       GLY   2 -16.467 -11.262   0.906
    9   1HA   GLY   2          HA2       GLY   2 -15.990  -9.082  -1.052
   10   2HA   GLY   2          HA1       GLY   2 -17.604  -9.793  -0.999
   11    H    SER   3           HN       SER   3 -18.954  -9.342   0.770
   12    HA   SER   3           HA       SER   3 -19.810  -8.054   2.551
   13   1HB   SER   3          HB2       SER   3 -16.904  -8.237   3.409
   14   2HB   SER   3          HB1       SER   3 -18.273  -7.893   4.461
   15    HG   SER   3           HG       SER   3 -17.425 -10.277   3.332
   16    H    TRP   4           HN       TRP   4 -18.933  -6.591   0.196
   17    HA   TRP   4           HA       TRP   4 -18.720  -4.346  -0.472
   18   1HB   TRP   4          HB2       TRP   4 -20.142  -4.219   1.735
   19   2HB   TRP   4          HB1       TRP   4 -18.665  -3.554   2.431
   20    HD1  TRP   4           HD1      TRP   4 -20.809  -2.957  -0.746
   21    HE1  TRP   4           HE1      TRP   4 -20.869  -0.421  -1.202
   22    HE3  TRP   4           HE3      TRP   4 -17.828  -1.304   3.057
   23    HZ2  TRP   4           HZ2      TRP   4 -19.795   1.989  -0.101
   24    HZ3  TRP   4           HZ3      TRP   4 -17.364   1.114   3.331
   25    HH2  TRP   4           HH2      TRP   4 -18.343   2.762   1.758
   26    H    LEU   5           HN       LEU   5 -16.976  -3.007  -0.938
   27    HA   LEU   5           HA       LEU   5 -14.639  -2.827   0.837
   28   1HB   LEU   5          HB2       LEU   5 -13.149  -3.884  -0.929
   29   2HB   LEU   5          HB1       LEU   5 -14.248  -5.007  -0.133
   30    HG   LEU   5           HG       LEU   5 -15.808  -4.205  -2.215
   31   1HD1  LEU   5          HD11      LEU   5 -13.812  -4.602  -4.078
   32   2HD1  LEU   5          HD12      LEU   5 -13.024  -3.553  -2.901
   33   3HD1  LEU   5          HD13      LEU   5 -14.522  -3.039  -3.675
   34   1HD2  LEU   5          HD21      LEU   5 -13.720  -6.408  -2.198
   35   2HD2  LEU   5          HD22      LEU   5 -15.082  -6.329  -3.315
   36   3HD2  LEU   5          HD23      LEU   5 -15.370  -6.525  -1.587
   37    H    ARG   6           HN       ARG   6 -16.492  -0.944  -0.495
   38    HA   ARG   6           HA       ARG   6 -14.946   0.306  -2.675
   39   1HB   ARG   6          HB2       ARG   6 -17.539   0.098  -2.294
   40   2HB   ARG   6          HB1       ARG   6 -17.318   1.497  -1.245
   41   1HG   ARG   6          HG2       ARG   6 -17.068   2.894  -3.000
   42   2HG   ARG   6          HG1       ARG   6 -15.920   1.811  -3.788
   43   1HD   ARG   6          HD2       ARG   6 -17.938   0.373  -4.454
   44   2HD   ARG   6          HD1       ARG   6 -18.945   1.746  -3.952
   45    HE   ARG   6           HE       ARG   6 -17.358   3.099  -5.543
   46   1HH1  ARG   6          HH21      ARG   6 -15.839   0.876  -6.675
   47   2HH1  ARG   6          HH22      ARG   6 -16.763   0.416  -8.066
   48   1HH2  ARG   6          HH11      ARG   6 -19.642   2.062  -7.022
   49   2HH2  ARG   6          HH12      ARG   6 -18.924   1.091  -8.264
   50    H    ASP   7           HN       ASP   7 -15.928   1.153   0.672
   51    HA   ASP   7           HA       ASP   7 -13.850   3.311   0.651
   52   1HB   ASP   7          HB2       ASP   7 -16.404   3.670   1.075
   53   2HB   ASP   7          HB1       ASP   7 -16.069   2.987   2.666
   54    H    ILE   8           HN       ILE   8 -13.717   0.224   1.352
   55    HA   ILE   8           HA       ILE   8 -12.616   0.510   4.126
   56    HB   ILE   8           HB       ILE   8 -12.997  -2.119   2.723
   57   1HG1  ILE   8          HG12      ILE   8 -15.246  -0.446   3.901
   58   2HG1  ILE   8          HG11      ILE   8 -15.078  -0.935   2.213
   59   1HG2  ILE   8          HG21      ILE   8 -13.574  -1.226   5.561
   60   2HG2  ILE   8          HG22      ILE   8 -12.025  -1.881   5.031
   61   3HG2  ILE   8          HG23      ILE   8 -13.474  -2.884   4.968
   62   1HD1  ILE   8          HD11      ILE   8 -14.934  -3.362   3.333
   63   2HD1  ILE   8          HD12      ILE   8 -16.479  -2.619   2.925
   64   3HD1  ILE   8          HD13      ILE   8 -15.882  -2.558   4.584
   65    H    TRP   9           HN       TRP   9 -11.865  -0.627   0.844
   66    HA   TRP   9           HA       TRP   9  -9.272  -1.699   1.384
   67   1HB   TRP   9          HB2       TRP   9 -10.753  -0.626  -1.008
   68   2HB   TRP   9          HB1       TRP   9  -9.051  -1.052  -1.169
   69    HD1  TRP   9           HD1      TRP   9 -10.557  -3.260   1.349
   70    HE1  TRP   9           HE1      TRP   9 -11.121  -5.561   0.339
   71    HE3  TRP   9           HE3      TRP   9 -10.096  -2.178  -3.621
   72    HZ2  TRP   9           HZ2      TRP   9 -11.345  -6.785  -2.238
   73    HZ3  TRP   9           HZ3      TRP   9 -10.490  -3.929  -5.330
   74    HH2  TRP   9           HH2      TRP   9 -11.114  -6.229  -4.646
   75    H    ASP  10           HN       ASP  10 -10.292   1.569   0.331
   76    HA   ASP  10           HA       ASP  10  -7.711   2.743   0.068
   77   1HB   ASP  10          HB2       ASP  10 -10.251   3.507  -0.373
   78   2HB   ASP  10          HB1       ASP  10  -9.995   4.324   1.169
   79    H    TRP  11           HN       TRP  11  -9.844   2.459   2.923
   80    HA   TRP  11           HA       TRP  11  -8.274   4.001   4.741
   81   1HB   TRP  11          HB2       TRP  11 -10.193   3.557   5.847
   82   2HB   TRP  11          HB1       TRP  11 -10.595   2.284   4.704
   83    HD1  TRP  11           HD1      TRP  11 -10.768  -0.034   5.702
   84    HE1  TRP  11           HE1      TRP  11  -9.923  -1.204   7.836
   85    HE3  TRP  11           HE3      TRP  11  -7.935   3.714   7.704
   86    HZ2  TRP  11           HZ2      TRP  11  -8.270  -0.629  10.094
   87    HZ3  TRP  11           HZ3      TRP  11  -6.738   3.371   9.846
   88    HH2  TRP  11           HH2      TRP  11  -6.902   1.210  11.043
   89    H    ILE  12           HN       ILE  12  -7.949   0.630   3.678
   90    HA   ILE  12           HA       ILE  12  -5.818   0.125   5.683
   91    HB   ILE  12           HB       ILE  12  -7.405  -1.477   3.682
   92   1HG1  ILE  12          HG12      ILE  12  -8.408  -1.211   5.858
   93   2HG1  ILE  12          HG11      ILE  12  -7.784  -2.857   5.772
   94   1HG2  ILE  12          HG21      ILE  12  -5.225  -2.380   3.317
   95   2HG2  ILE  12          HG22      ILE  12  -6.002  -3.469   4.466
   96   3HG2  ILE  12          HG23      ILE  12  -4.822  -2.287   5.032
   97   1HD1  ILE  12          HD11      ILE  12  -5.627  -1.849   6.836
   98   2HD1  ILE  12          HD12      ILE  12  -7.027  -2.117   7.874
   99   3HD1  ILE  12          HD13      ILE  12  -6.668  -0.497   7.280
  100    H    CYS  13           HN       CYS  13  -6.196   0.306   2.125
  101    HA   CYS  13           HA       CYS  13  -3.480  -0.297   1.459
  102   1HB   CYS  13          HB2       CYS  13  -5.905   0.350   0.176
  103   2HB   CYS  13          HB1       CYS  13  -4.751   1.567  -0.367
  104    HG   CYS  13           HG       CYS  13  -3.147  -0.601  -0.919
  105    H    GLU  14           HN       GLU  14  -5.058   2.801   2.287
  106    HA   GLU  14           HA       GLU  14  -2.961   4.563   1.492
  107   1HB   GLU  14          HB2       GLU  14  -5.345   5.055   2.284
  108   2HB   GLU  14          HB1       GLU  14  -4.736   4.864   3.928
  109   1HG   GLU  14          HG2       GLU  14  -3.670   6.870   3.891
  110   2HG   GLU  14          HG1       GLU  14  -3.076   6.624   2.247
  111    H    VAL  15           HN       VAL  15  -3.388   2.675   4.478
  112    HA   VAL  15           HA       VAL  15  -0.913   3.811   5.651
  113    HB   VAL  15           HB       VAL  15  -3.022   1.834   6.577
  114   1HG1  VAL  15          HG11      VAL  15  -0.983   1.201   7.686
  115   2HG1  VAL  15          HG12      VAL  15  -1.910   2.160   8.838
  116   3HG1  VAL  15          HG13      VAL  15  -0.550   2.884   7.980
  117   1HG2  VAL  15          HG21      VAL  15  -3.890   3.611   7.856
  118   2HG2  VAL  15          HG22      VAL  15  -3.440   4.404   6.346
  119   3HG2  VAL  15          HG23      VAL  15  -2.392   4.536   7.759
  120    H    LEU  16           HN       LEU  16  -1.955   0.933   3.916
  121    HA   LEU  16           HA       LEU  16   0.417  -0.626   4.766
  122   1HB   LEU  16          HB2       LEU  16  -2.163  -1.059   3.401
  123   2HB   LEU  16          HB1       LEU  16  -0.839  -2.021   2.748
  124    HG   LEU  16           HG       LEU  16  -1.376  -1.852   5.718
  125   1HD1  LEU  16          HD11      LEU  16  -3.091  -3.307   5.562
  126   2HD1  LEU  16          HD12      LEU  16  -2.199  -4.336   4.442
  127   3HD1  LEU  16          HD13      LEU  16  -3.122  -2.962   3.833
  128   1HD2  LEU  16          HD21      LEU  16   0.185  -3.697   3.892
  129   2HD2  LEU  16          HD22      LEU  16  -0.188  -4.111   5.565
  130   3HD2  LEU  16          HD23      LEU  16   0.808  -2.700   5.208
  131    H    SER  17           HN       SER  17  -0.837   0.847   1.740
  132    HA   SER  17           HA       SER  17   1.283   0.008   0.018
  133   1HB   SER  17          HB2       SER  17  -0.417   2.526  -0.028
  134   2HB   SER  17          HB1       SER  17   0.467   1.868  -1.401
  135    HG   SER  17           HG       SER  17  -1.961   1.265  -0.641
  136    H    ASP  18           HN       ASP  18   0.931   3.066   1.881
  137    HA   ASP  18           HA       ASP  18   3.387   4.264   1.064
  138   1HB   ASP  18          HB2       ASP  18   1.300   5.046   2.530
  139   2HB   ASP  18          HB1       ASP  18   2.350   4.564   3.863
  140    H    PHE  19           HN       PHE  19   2.656   1.997   3.719
  141    HA   PHE  19           HA       PHE  19   5.246   1.968   4.945
  142   1HB   PHE  19          HB2       PHE  19   2.956   1.040   5.720
  143   2HB   PHE  19          HB1       PHE  19   3.338  -0.371   4.735
  144    HD1  PHE  19           HD1      PHE  19   4.760   1.794   7.442
  145    HD2  PHE  19           HD2      PHE  19   4.680  -2.089   5.606
  146    HE1  PHE  19           HE1      PHE  19   6.192   0.904   9.261
  147    HE2  PHE  19           HE2      PHE  19   6.110  -2.979   7.426
  148    HZ   PHE  19           HZ       PHE  19   6.866  -1.483   9.254
  149    H    LYS  20           HN       LYS  20   3.884   0.179   2.181
  150    HA   LYS  20           HA       LYS  20   6.087  -1.679   1.893
  151   1HB   LYS  20          HB2       LYS  20   3.608  -1.593   0.959
  152   2HB   LYS  20          HB1       LYS  20   4.363  -0.737  -0.385
  153   1HG   LYS  20          HG2       LYS  20   4.731  -2.838  -1.196
  154   2HG   LYS  20          HG1       LYS  20   6.094  -2.827  -0.077
  155   1HD   LYS  20          HD2       LYS  20   3.450  -3.610   1.051
  156   2HD   LYS  20          HD1       LYS  20   4.216  -4.760  -0.044
  157   1HE   LYS  20          HE2       LYS  20   5.725  -5.361   1.539
  158   2HE   LYS  20          HE1       LYS  20   6.149  -3.667   1.854
  159   1HZ   LYS  20          HZ1       LYS  20   3.733  -5.073   2.878
  160   2HZ   LYS  20          HZ2       LYS  20   4.112  -3.438   3.151
  161   3HZ   LYS  20          HZ3       LYS  20   5.098  -4.661   3.795
  162    H    THR  21           HN       THR  21   5.277   1.437   0.321
  163    HA   THR  21           HA       THR  21   7.637   1.517  -1.364
  164    HB   THR  21           HB       THR  21   5.882   3.774  -0.333
  165    HG1  THR  21           HG1      THR  21   4.379   2.875  -1.460
  166   1HG2  THR  21          HG21      THR  21   6.715   5.069  -2.052
  167   2HG2  THR  21          HG22      THR  21   7.072   3.674  -3.071
  168   3HG2  THR  21          HG23      THR  21   8.136   4.078  -1.723
  169    H    TRP  22           HN       TRP  22   6.818   2.861   1.837
  170    HA   TRP  22           HA       TRP  22   9.142   4.453   2.262
  171   1HB   TRP  22          HB2       TRP  22   7.295   4.705   3.722
  172   2HB   TRP  22          HB1       TRP  22   7.162   2.970   3.996
  173    HD1  TRP  22           HD1      TRP  22   9.273   6.010   4.988
  174    HE1  TRP  22           HE1      TRP  22  10.566   5.442   7.145
  175    HE3  TRP  22           HE3      TRP  22   8.114   1.056   5.436
  176    HZ2  TRP  22           HZ2      TRP  22  11.046   3.183   8.836
  177    HZ3  TRP  22           HZ3      TRP  22   8.999  -0.277   7.326
  178    HH2  TRP  22           HH2      TRP  22  10.463   0.776   9.023
  179    H    LEU  23           HN       LEU  23   8.536   0.994   2.950
  180    HA   LEU  23           HA       LEU  23  11.030   0.441   4.254
  181   1HB   LEU  23          HB2       LEU  23   8.682  -0.928   3.304
  182   2HB   LEU  23          HB1       LEU  23  10.111  -1.844   2.828
  183    HG   LEU  23           HG       LEU  23  10.016  -0.763   5.610
  184   1HD1  LEU  23          HD11      LEU  23   8.553  -3.276   4.752
  185   2HD1  LEU  23          HD12      LEU  23   7.764  -1.766   5.213
  186   3HD1  LEU  23          HD13      LEU  23   8.713  -2.663   6.399
  187   1HD2  LEU  23          HD21      LEU  23  11.057  -3.107   5.944
  188   2HD2  LEU  23          HD22      LEU  23  12.009  -1.916   5.056
  189   3HD2  LEU  23          HD23      LEU  23  11.136  -3.176   4.183
  190    H    LYS  24           HN       LYS  24  10.037  -0.066   0.837
  191    HA   LYS  24           HA       LYS  24  12.615  -0.993  -0.066
  192   1HB   LYS  24          HB2       LYS  24  10.017  -0.738  -1.039
  193   2HB   LYS  24          HB1       LYS  24  10.942   0.378  -2.045
  194   1HG   LYS  24          HG2       LYS  24  11.236  -1.604  -3.224
  195   2HG   LYS  24          HG1       LYS  24  12.649  -1.639  -2.170
  196   1HD   LYS  24          HD2       LYS  24  10.193  -2.806  -1.000
  197   2HD   LYS  24          HD1       LYS  24  10.855  -3.687  -2.376
  198   1HE   LYS  24          HE2       LYS  24  13.085  -2.997  -0.773
  199   2HE   LYS  24          HE1       LYS  24  11.845  -3.602   0.340
  200   1HZ   LYS  24          HZ1       LYS  24  12.605  -4.944  -2.203
  201   2HZ   LYS  24          HZ2       LYS  24  11.536  -5.532  -1.020
  202   3HZ   LYS  24          HZ3       LYS  24  13.194  -5.395  -0.677
  203    H    ALA  25           HN       ALA  25  11.147   2.238   0.141
  204    HA   ALA  25           HA       ALA  25  13.070   3.666  -1.432
  205   1HB   ALA  25          HB1       ALA  25  11.310   4.465   0.908
  206   2HB   ALA  25          HB2       ALA  25  10.896   4.564  -0.804
  207   3HB   ALA  25          HB3       ALA  25  12.149   5.612  -0.137
  208    H    LYS  26           HN       LYS  26  13.239   2.420   1.858
  209    HA   LYS  26           HA       LYS  26  15.742   3.993   2.337
  210   1HB   LYS  26          HB2       LYS  26  13.706   4.048   3.899
  211   2HB   LYS  26          HB1       LYS  26  14.118   2.386   4.322
  212   1HG   LYS  26          HG2       LYS  26  15.144   3.878   5.948
  213   2HG   LYS  26          HG1       LYS  26  16.414   3.168   4.952
  214   1HD   LYS  26          HD2       LYS  26  17.093   5.334   4.716
  215   2HD   LYS  26          HD1       LYS  26  15.825   5.394   3.492
  216   1HE   LYS  26          HE2       LYS  26  14.286   5.953   5.595
  217   2HE   LYS  26          HE1       LYS  26  15.826   6.518   6.271
  218   1HZ   LYS  26          HZ1       LYS  26  14.711   7.287   3.621
  219   2HZ   LYS  26          HZ2       LYS  26  16.201   7.807   4.254
  220   3HZ   LYS  26          HZ3       LYS  26  14.747   8.275   4.998
  221    H    LEU  27           HN       LEU  27  14.410   0.679   2.331
  222    HA   LEU  27           HA       LEU  27  16.716  -0.692   3.306
  223   1HB   LEU  27          HB2       LEU  27  14.378  -1.575   2.992
  224   2HB   LEU  27          HB1       LEU  27  14.678  -1.618   1.254
  225    HG   LEU  27           HG       LEU  27  16.858  -2.964   2.086
  226   1HD1  LEU  27          HD11      LEU  27  14.749  -3.324   4.220
  227   2HD1  LEU  27          HD12      LEU  27  16.460  -2.949   4.428
  228   3HD1  LEU  27          HD13      LEU  27  15.968  -4.557   3.899
  229   1HD2  LEU  27          HD21      LEU  27  15.436  -5.067   1.764
  230   2HD2  LEU  27          HD22      LEU  27  15.370  -3.887   0.455
  231   3HD2  LEU  27          HD23      LEU  27  14.048  -3.989   1.618
  232    H    MET  28           HN       MET  28  15.706  -0.043  -0.082
  233    HA   MET  28           HA       MET  28  16.951  -0.075  -2.090
  234   1HB   MET  28          HB2       MET  28  18.249   1.435  -0.042
  235   2HB   MET  28          HB1       MET  28  19.506   0.613  -0.964
  236   1HG   MET  28          HG2       MET  28  19.234   2.508  -2.266
  237   2HG   MET  28          HG1       MET  28  18.056   1.443  -3.031
  238   1HE   MET  28          HE1       MET  28  17.573   3.574   0.578
  239   2HE   MET  28          HE2       MET  28  17.586   5.046  -0.391
  240   3HE   MET  28          HE3       MET  28  18.923   3.905  -0.517
  241    HA   PRO  29           HA       PRO  29  18.828  -4.195  -0.955
  242   1HB   PRO  29          HB2       PRO  29  17.330  -5.667  -2.717
  243   2HB   PRO  29          HB1       PRO  29  16.803  -5.307  -1.061
  244   1HG   PRO  29          HG2       PRO  29  16.019  -4.000  -3.621
  245   2HG   PRO  29          HG1       PRO  29  15.026  -4.412  -2.213
  246   1HD   PRO  29          HD2       PRO  29  15.922  -1.896  -2.711
  247   2HD   PRO  29          HD1       PRO  29  15.620  -2.513  -1.072
  248    H    GLN  30           HN       GLN  30  19.869  -5.773  -2.632
  249    HA   GLN  30           HA       GLN  30  21.438  -4.239  -4.525
  250   1HB   GLN  30          HB2       GLN  30  21.797  -6.511  -3.134
  251   2HB   GLN  30          HB1       GLN  30  21.262  -7.217  -4.658
  252   1HG   GLN  30          HG2       GLN  30  23.254  -6.799  -5.623
  253   2HG   GLN  30          HG1       GLN  30  23.180  -5.101  -5.148
  254   1HE2  GLN  30          HE21      GLN  30  24.163  -4.493  -3.071
  255   2HE2  GLN  30          HE22      GLN  30  25.239  -5.538  -2.275
  256    H    LEU  31           HN       LEU  31  18.737  -6.518  -4.842
  257    HA   LEU  31           HA       LEU  31  17.320  -7.022  -6.657
  258   1HB   LEU  31          HB2       LEU  31  17.288  -4.421  -6.314
  259   2HB   LEU  31          HB1       LEU  31  18.198  -4.384  -7.825
  260    HG   LEU  31           HG       LEU  31  16.210  -6.118  -8.496
  261   1HD1  LEU  31          HD11      LEU  31  14.094  -5.259  -7.619
  262   2HD1  LEU  31          HD12      LEU  31  14.956  -4.069  -6.643
  263   3HD1  LEU  31          HD13      LEU  31  15.116  -5.789  -6.282
  264   1HD2  LEU  31          HD21      LEU  31  16.964  -4.071  -9.716
  265   2HD2  LEU  31          HD22      LEU  31  15.999  -3.092  -8.612
  266   3HD2  LEU  31          HD23      LEU  31  15.208  -4.238  -9.695
  Start of MODEL   24
    1   1H    SER   1           HT1      SER   1 -25.306  -8.955   0.294
    2   2H    SER   1           HT2      SER   1 -24.176  -8.474  -0.881
    3   3H    SER   1           HT3      SER   1 -24.888  -7.318   0.140
    4    HA   SER   1           HA       SER   1 -23.786  -8.317   2.071
    5   1HB   SER   1          HB2       SER   1 -23.833 -10.550   0.661
    6   2HB   SER   1          HB1       SER   1 -22.252 -10.003   0.108
    7    HG   SER   1           HG       SER   1 -21.976 -11.230   1.956
    8    H    GLY   2           HN       GLY   2 -21.744  -7.406   2.671
    9   1HA   GLY   2          HA2       GLY   2 -19.802  -6.099   2.430
   10   2HA   GLY   2          HA1       GLY   2 -19.772  -6.560   0.728
   11    H    SER   3           HN       SER   3 -21.487  -4.404   3.006
   12    HA   SER   3           HA       SER   3 -22.358  -2.668   0.765
   13   1HB   SER   3          HB2       SER   3 -22.801  -2.665   3.765
   14   2HB   SER   3          HB1       SER   3 -23.515  -1.482   2.671
   15    HG   SER   3           HG       SER   3 -25.011  -2.934   2.410
   16    H    TRP   4           HN       TRP   4 -20.269  -2.459   3.674
   17    HA   TRP   4           HA       TRP   4 -19.307   0.215   2.761
   18   1HB   TRP   4          HB2       TRP   4 -20.086  -0.749   5.186
   19   2HB   TRP   4          HB1       TRP   4 -18.343  -1.000   5.288
   20    HD1  TRP   4           HD1      TRP   4 -20.976   1.738   4.958
   21    HE1  TRP   4           HE1      TRP   4 -19.877   4.016   5.449
   22    HE3  TRP   4           HE3      TRP   4 -16.081   0.311   5.266
   23    HZ2  TRP   4           HZ2      TRP   4 -17.265   5.094   5.908
   24    HZ3  TRP   4           HZ3      TRP   4 -14.311   1.982   5.728
   25    HH2  TRP   4           HH2      TRP   4 -14.895   4.368   6.050
   26    H    LEU   5           HN       LEU   5 -18.459  -2.457   1.513
   27    HA   LEU   5           HA       LEU   5 -15.624  -2.689   2.331
   28   1HB   LEU   5          HB2       LEU   5 -17.377  -4.526   1.599
   29   2HB   LEU   5          HB1       LEU   5 -16.882  -4.065  -0.029
   30    HG   LEU   5           HG       LEU   5 -14.447  -4.294   1.104
   31   1HD1  LEU   5          HD11      LEU   5 -14.367  -6.115   2.677
   32   2HD1  LEU   5          HD12      LEU   5 -16.090  -6.434   2.483
   33   3HD1  LEU   5          HD13      LEU   5 -15.551  -4.960   3.288
   34   1HD2  LEU   5          HD21      LEU   5 -16.215  -6.449  -0.080
   35   2HD2  LEU   5          HD22      LEU   5 -14.500  -6.705   0.245
   36   3HD2  LEU   5          HD23      LEU   5 -15.004  -5.466  -0.906
   37    H    ARG   6           HN       ARG   6 -17.399  -0.746   0.164
   38    HA   ARG   6           HA       ARG   6 -15.317  -0.584  -1.916
   39   1HB   ARG   6          HB2       ARG   6 -18.087   0.195  -1.496
   40   2HB   ARG   6          HB1       ARG   6 -17.154   1.539  -2.154
   41   1HG   ARG   6          HG2       ARG   6 -16.832  -1.196  -3.352
   42   2HG   ARG   6          HG1       ARG   6 -18.237  -0.222  -3.786
   43   1HD   ARG   6          HD2       ARG   6 -16.456   1.681  -4.188
   44   2HD   ARG   6          HD1       ARG   6 -15.325   0.320  -4.325
   45    HE   ARG   6           HE       ARG   6 -17.860   0.333  -5.917
   46   1HH1  ARG   6          HH21      ARG   6 -15.757  -1.875  -6.054
   47   2HH1  ARG   6          HH22      ARG   6 -14.913  -1.446  -7.504
   48   1HH2  ARG   6          HH11      ARG   6 -16.203   1.780  -7.615
   49   2HH2  ARG   6          HH12      ARG   6 -15.167   0.630  -8.392
   50    H    ASP   7           HN       ASP   7 -15.945   0.908   1.138
   51    HA   ASP   7           HA       ASP   7 -13.990   3.089   0.481
   52   1HB   ASP   7          HB2       ASP   7 -16.590   3.005   1.977
   53   2HB   ASP   7          HB1       ASP   7 -15.355   4.145   2.517
   54    H    ILE   8           HN       ILE   8 -13.999   0.191   1.908
   55    HA   ILE   8           HA       ILE   8 -12.597   1.070   4.398
   56    HB   ILE   8           HB       ILE   8 -14.617  -0.524   4.386
   57   1HG1  ILE   8          HG12      ILE   8 -11.968  -1.337   5.618
   58   2HG1  ILE   8          HG11      ILE   8 -13.183  -0.275   6.320
   59   1HG2  ILE   8          HG21      ILE   8 -14.224  -2.834   3.807
   60   2HG2  ILE   8          HG22      ILE   8 -12.521  -2.518   3.480
   61   3HG2  ILE   8          HG23      ILE   8 -13.761  -1.860   2.413
   62   1HD1  ILE   8          HD11      ILE   8 -13.658  -2.311   7.374
   63   2HD1  ILE   8          HD12      ILE   8 -13.293  -3.253   5.929
   64   3HD1  ILE   8          HD13      ILE   8 -14.788  -2.322   6.021
   65    H    TRP   9           HN       TRP   9 -12.223  -0.872   1.442
   66    HA   TRP   9           HA       TRP   9  -9.618  -1.937   2.162
   67   1HB   TRP   9          HB2       TRP   9 -10.066  -3.206   0.334
   68   2HB   TRP   9          HB1       TRP   9 -11.592  -2.343   0.203
   69    HD1  TRP   9           HD1      TRP   9  -7.972  -2.198  -1.098
   70    HE1  TRP   9           HE1      TRP   9  -7.968  -0.966  -3.361
   71    HE3  TRP   9           HE3      TRP   9 -12.872  -0.770  -1.336
   72    HZ2  TRP   9           HZ2      TRP   9  -9.801   0.434  -5.053
   73    HZ3  TRP   9           HZ3      TRP   9 -13.712   0.508  -3.284
   74    HH2  TRP   9           HH2      TRP   9 -12.186   1.112  -5.141
   75    H    ASP  10           HN       ASP  10 -10.723   0.787   0.144
   76    HA   ASP  10           HA       ASP  10  -8.217   1.734  -0.794
   77   1HB   ASP  10          HB2       ASP  10  -9.518   3.997  -0.703
   78   2HB   ASP  10          HB1       ASP  10 -10.194   2.705  -1.689
   79    H    TRP  11           HN       TRP  11  -9.861   2.220   2.315
   80    HA   TRP  11           HA       TRP  11  -8.050   4.167   3.418
   81   1HB   TRP  11          HB2       TRP  11  -9.935   4.065   4.717
   82   2HB   TRP  11          HB1       TRP  11 -10.286   2.416   4.224
   83    HD1  TRP  11           HD1      TRP  11  -7.095   3.490   6.083
   84    HE1  TRP  11           HE1      TRP  11  -7.019   2.295   8.355
   85    HE3  TRP  11           HE3      TRP  11 -11.658   1.218   6.024
   86    HZ2  TRP  11           HZ2      TRP  11  -8.672   0.601   9.947
   87    HZ3  TRP  11           HZ3      TRP  11 -12.379  -0.184   7.937
   88    HH2  TRP  11           HH2      TRP  11 -10.896  -0.494   9.894
   89    H    ILE  12           HN       ILE  12  -8.249   0.607   3.796
   90    HA   ILE  12           HA       ILE  12  -5.836   0.338   5.343
   91    HB   ILE  12           HB       ILE  12  -7.434  -1.541   3.579
   92   1HG1  ILE  12          HG12      ILE  12  -8.655  -0.565   5.490
   93   2HG1  ILE  12          HG11      ILE  12  -8.371  -2.282   5.744
   94   1HG2  ILE  12          HG21      ILE  12  -5.470  -2.758   3.785
   95   2HG2  ILE  12          HG22      ILE  12  -6.276  -3.226   5.283
   96   3HG2  ILE  12          HG23      ILE  12  -5.026  -1.982   5.305
   97   1HD1  ILE  12          HD11      ILE  12  -7.817  -1.198   7.805
   98   2HD1  ILE  12          HD12      ILE  12  -6.865   0.031   6.972
   99   3HD1  ILE  12          HD13      ILE  12  -6.288  -1.634   7.043
  100    H    CYS  13           HN       CYS  13  -6.468   0.381   1.854
  101    HA   CYS  13           HA       CYS  13  -3.915  -0.635   1.011
  102   1HB   CYS  13          HB2       CYS  13  -6.120  -0.329  -0.280
  103   2HB   CYS  13          HB1       CYS  13  -5.657   1.365  -0.452
  104    HG   CYS  13           HG       CYS  13  -4.747  -0.530  -2.367
  105    H    GLU  14           HN       GLU  14  -5.090   2.654   1.725
  106    HA   GLU  14           HA       GLU  14  -2.760   4.091   0.828
  107   1HB   GLU  14          HB2       GLU  14  -5.262   4.714   1.655
  108   2HB   GLU  14          HB1       GLU  14  -4.377   5.066   3.139
  109   1HG   GLU  14          HG2       GLU  14  -3.556   6.145   0.430
  110   2HG   GLU  14          HG1       GLU  14  -4.608   7.023   1.539
  111    H    VAL  15           HN       VAL  15  -3.741   2.887   4.057
  112    HA   VAL  15           HA       VAL  15  -1.463   3.813   5.520
  113    HB   VAL  15           HB       VAL  15  -3.329   1.443   5.887
  114   1HG1  VAL  15          HG11      VAL  15  -1.153   2.592   7.611
  115   2HG1  VAL  15          HG12      VAL  15  -1.589   0.904   7.344
  116   3HG1  VAL  15          HG13      VAL  15  -2.595   1.921   8.376
  117   1HG2  VAL  15          HG21      VAL  15  -3.315   4.246   7.057
  118   2HG2  VAL  15          HG22      VAL  15  -4.458   2.972   7.485
  119   3HG2  VAL  15          HG23      VAL  15  -4.449   3.636   5.851
  120    H    LEU  16           HN       LEU  16  -1.939   0.972   3.471
  121    HA   LEU  16           HA       LEU  16   0.503  -0.385   4.356
  122   1HB   LEU  16          HB2       LEU  16  -1.807  -0.843   2.644
  123   2HB   LEU  16          HB1       LEU  16  -0.322  -1.349   1.839
  124    HG   LEU  16           HG       LEU  16   0.106  -2.336   4.346
  125   1HD1  LEU  16          HD11      LEU  16  -2.137  -1.660   5.108
  126   2HD1  LEU  16          HD12      LEU  16  -2.002  -3.418   5.064
  127   3HD1  LEU  16          HD13      LEU  16  -2.869  -2.568   3.785
  128   1HD2  LEU  16          HD21      LEU  16   0.401  -3.608   2.296
  129   2HD2  LEU  16          HD22      LEU  16  -1.340  -3.632   2.012
  130   3HD2  LEU  16          HD23      LEU  16  -0.655  -4.526   3.368
  131    H    SER  17           HN       SER  17  -0.385   1.917   1.821
  132    HA   SER  17           HA       SER  17   1.910   1.573   0.124
  133   1HB   SER  17          HB2       SER  17  -0.414   2.932  -0.011
  134   2HB   SER  17          HB1       SER  17   0.638   4.254   0.488
  135    HG   SER  17           HG       SER  17   1.886   3.920  -1.315
  136    H    ASP  18           HN       ASP  18   1.277   3.912   2.782
  137    HA   ASP  18           HA       ASP  18   3.886   5.139   2.678
  138   1HB   ASP  18          HB2       ASP  18   1.454   5.456   4.045
  139   2HB   ASP  18          HB1       ASP  18   2.631   5.098   5.312
  140    H    PHE  19           HN       PHE  19   2.707   2.154   4.067
  141    HA   PHE  19           HA       PHE  19   4.987   1.784   5.885
  142   1HB   PHE  19          HB2       PHE  19   2.382   0.679   5.392
  143   2HB   PHE  19          HB1       PHE  19   3.556  -0.633   5.310
  144    HD1  PHE  19           HD1      PHE  19   1.592   1.366   7.480
  145    HD2  PHE  19           HD2      PHE  19   5.383  -0.642   7.224
  146    HE1  PHE  19           HE1      PHE  19   1.759   1.363   9.954
  147    HE2  PHE  19           HE2      PHE  19   5.547  -0.644   9.698
  148    HZ   PHE  19           HZ       PHE  19   3.736   0.357  11.063
  149    H    LYS  20           HN       LYS  20   3.940   0.619   2.675
  150    HA   LYS  20           HA       LYS  20   6.237  -1.173   2.356
  151   1HB   LYS  20          HB2       LYS  20   3.794  -1.200   1.363
  152   2HB   LYS  20          HB1       LYS  20   4.496  -0.156   0.125
  153   1HG   LYS  20          HG2       LYS  20   5.769  -1.838  -0.762
  154   2HG   LYS  20          HG1       LYS  20   6.073  -2.575   0.811
  155   1HD   LYS  20          HD2       LYS  20   3.428  -3.059   0.625
  156   2HD   LYS  20          HD1       LYS  20   3.825  -3.026  -1.092
  157   1HE   LYS  20          HE2       LYS  20   4.291  -5.258  -0.666
  158   2HE   LYS  20          HE1       LYS  20   5.865  -4.575  -0.219
  159   1HZ   LYS  20          HZ1       LYS  20   3.579  -5.155   1.591
  160   2HZ   LYS  20          HZ2       LYS  20   4.941  -4.254   2.060
  161   3HZ   LYS  20          HZ3       LYS  20   5.111  -5.882   1.611
  162    H    THR  21           HN       THR  21   5.413   2.153   1.374
  163    HA   THR  21           HA       THR  21   7.411   2.579  -0.596
  164    HB   THR  21           HB       THR  21   5.460   4.063   0.166
  165    HG1  THR  21           HG1      THR  21   6.568   5.909  -0.475
  166   1HG2  THR  21          HG21      THR  21   7.479   5.232   2.078
  167   2HG2  THR  21          HG22      THR  21   6.317   4.014   2.601
  168   3HG2  THR  21          HG23      THR  21   5.749   5.559   1.972
  169    H    TRP  22           HN       TRP  22   7.657   2.626   2.949
  170    HA   TRP  22           HA       TRP  22  10.315   3.729   3.126
  171   1HB   TRP  22          HB2       TRP  22   8.917   3.734   5.059
  172   2HB   TRP  22          HB1       TRP  22   8.522   2.026   4.876
  173    HD1  TRP  22           HD1      TRP  22  11.340   4.350   6.021
  174    HE1  TRP  22           HE1      TRP  22  12.996   2.991   7.457
  175    HE3  TRP  22           HE3      TRP  22   9.431  -0.338   5.371
  176    HZ2  TRP  22           HZ2      TRP  22  13.451   0.270   8.224
  177    HZ3  TRP  22           HZ3      TRP  22  10.490  -2.293   6.462
  178    HH2  TRP  22           HH2      TRP  22  12.495  -1.997   7.883
  179    H    LEU  23           HN       LEU  23   9.069   0.384   2.921
  180    HA   LEU  23           HA       LEU  23  11.608  -0.949   3.201
  181   1HB   LEU  23          HB2       LEU  23   8.817  -1.547   2.540
  182   2HB   LEU  23          HB1       LEU  23   9.945  -2.562   1.641
  183    HG   LEU  23           HG       LEU  23  10.715  -2.249   4.446
  184   1HD1  LEU  23          HD11      LEU  23   8.454  -2.218   5.071
  185   2HD1  LEU  23          HD12      LEU  23   8.835  -3.940   5.100
  186   3HD1  LEU  23          HD13      LEU  23   7.970  -3.252   3.726
  187   1HD2  LEU  23          HD21      LEU  23  11.610  -3.913   2.791
  188   2HD2  LEU  23          HD22      LEU  23  10.033  -4.702   2.800
  189   3HD2  LEU  23          HD23      LEU  23  11.004  -4.654   4.271
  190    H    LYS  24           HN       LYS  24   9.748   0.123   0.339
  191    HA   LYS  24           HA       LYS  24  11.555  -0.940  -1.640
  192   1HB   LYS  24          HB2       LYS  24   9.066   0.110  -1.621
  193   2HB   LYS  24          HB1       LYS  24   9.963   1.526  -2.171
  194   1HG   LYS  24          HG2       LYS  24  10.831  -0.913  -3.526
  195   2HG   LYS  24          HG1       LYS  24   9.113  -0.596  -3.769
  196   1HD   LYS  24          HD2       LYS  24  10.143   1.909  -4.105
  197   2HD   LYS  24          HD1       LYS  24  11.467   0.923  -4.726
  198   1HE   LYS  24          HE2       LYS  24  10.153   1.156  -6.652
  199   2HE   LYS  24          HE1       LYS  24   9.480  -0.343  -5.983
  200   1HZ   LYS  24          HZ1       LYS  24   7.714   1.244  -6.450
  201   2HZ   LYS  24          HZ2       LYS  24   8.463   2.406  -5.462
  202   3HZ   LYS  24          HZ3       LYS  24   7.839   0.981  -4.779
  203    H    ALA  25           HN       ALA  25  11.292   2.274  -0.086
  204    HA   ALA  25           HA       ALA  25  13.327   3.597  -1.612
  205   1HB   ALA  25          HB1       ALA  25  11.593   4.623  -0.112
  206   2HB   ALA  25          HB2       ALA  25  13.221   5.221   0.209
  207   3HB   ALA  25          HB3       ALA  25  12.495   4.020   1.278
  208    H    LYS  26           HN       LYS  26  13.498   1.496   1.244
  209    HA   LYS  26           HA       LYS  26  16.342   2.041   1.736
  210   1HB   LYS  26          HB2       LYS  26  14.517   1.412   3.420
  211   2HB   LYS  26          HB1       LYS  26  14.611  -0.223   2.769
  212   1HG   LYS  26          HG2       LYS  26  16.455  -0.656   3.985
  213   2HG   LYS  26          HG1       LYS  26  17.272   0.756   3.315
  214   1HD   LYS  26          HD2       LYS  26  15.271   1.634   5.186
  215   2HD   LYS  26          HD1       LYS  26  16.286   0.416   5.958
  216   1HE   LYS  26          HE2       LYS  26  18.314   1.679   5.255
  217   2HE   LYS  26          HE1       LYS  26  17.269   2.927   4.549
  218   1HZ   LYS  26          HZ1       LYS  26  17.859   3.504   6.822
  219   2HZ   LYS  26          HZ2       LYS  26  17.236   2.027   7.386
  220   3HZ   LYS  26          HZ3       LYS  26  16.196   3.190   6.711
  221    H    LEU  27           HN       LEU  27  14.408  -0.640   0.366
  222    HA   LEU  27           HA       LEU  27  16.662  -2.366  -0.193
  223   1HB   LEU  27          HB2       LEU  27  14.104  -2.823   0.025
  224   2HB   LEU  27          HB1       LEU  27  14.027  -2.339  -1.669
  225    HG   LEU  27           HG       LEU  27  16.117  -4.064  -1.775
  226   1HD1  LEU  27          HD11      LEU  27  15.262  -6.081  -0.407
  227   2HD1  LEU  27          HD12      LEU  27  14.351  -4.896   0.529
  228   3HD1  LEU  27          HD13      LEU  27  16.112  -4.811   0.475
  229   1HD2  LEU  27          HD21      LEU  27  14.552  -5.654  -2.724
  230   2HD2  LEU  27          HD22      LEU  27  13.990  -4.033  -3.131
  231   3HD2  LEU  27          HD23      LEU  27  13.211  -4.935  -1.831
  232    H    MET  28           HN       MET  28  14.871   0.049  -2.123
  233    HA   MET  28           HA       MET  28  16.895  -0.283  -4.315
  234   1HB   MET  28          HB2       MET  28  14.396  -0.753  -4.670
  235   2HB   MET  28          HB1       MET  28  14.148   0.981  -4.470
  236   1HG   MET  28          HG2       MET  28  16.123   1.085  -6.274
  237   2HG   MET  28          HG1       MET  28  15.475  -0.499  -6.697
  238   1HE   MET  28          HE1       MET  28  13.716   3.626  -7.313
  239   2HE   MET  28          HE2       MET  28  15.361   3.124  -6.934
  240   3HE   MET  28          HE3       MET  28  14.137   3.137  -5.666
  241    HA   PRO  29           HA       PRO  29  17.848   3.833  -2.588
  242   1HB   PRO  29          HB2       PRO  29  20.494   3.782  -3.279
  243   2HB   PRO  29          HB1       PRO  29  19.865   3.024  -1.803
  244   1HG   PRO  29          HG2       PRO  29  20.653   1.782  -4.380
  245   2HG   PRO  29          HG1       PRO  29  20.819   1.167  -2.730
  246   1HD   PRO  29          HD2       PRO  29  18.871   0.375  -4.508
  247   2HD   PRO  29          HD1       PRO  29  18.748   0.232  -2.742
  248    H    GLN  30           HN       GLN  30  19.427   5.588  -3.870
  249    HA   GLN  30           HA       GLN  30  18.019   6.294  -6.262
  250   1HB   GLN  30          HB2       GLN  30  19.699   8.077  -6.378
  251   2HB   GLN  30          HB1       GLN  30  19.212   7.834  -4.702
  252   1HG   GLN  30          HG2       GLN  30  21.275   6.115  -4.767
  253   2HG   GLN  30          HG1       GLN  30  21.814   7.223  -6.029
  254   1HE2  GLN  30          HE21      GLN  30  22.210   6.722  -2.804
  255   2HE2  GLN  30          HE22      GLN  30  22.415   8.324  -2.274
  256    H    LEU  31           HN       LEU  31  18.555   6.031  -8.449
  257    HA   LEU  31           HA       LEU  31  21.092   4.655  -9.175
  258   1HB   LEU  31          HB2       LEU  31  18.995   3.125  -8.597
  259   2HB   LEU  31          HB1       LEU  31  18.504   3.567 -10.234
  260    HG   LEU  31           HG       LEU  31  21.050   2.933 -10.759
  261   1HD1  LEU  31          HD11      LEU  31  21.893   1.175  -9.385
  262   2HD1  LEU  31          HD12      LEU  31  20.363   1.016  -8.522
  263   3HD1  LEU  31          HD13      LEU  31  21.376   2.437  -8.267
  264   1HD2  LEU  31          HD21      LEU  31  18.754   0.984 -10.384
  265   2HD2  LEU  31          HD22      LEU  31  20.223   0.620 -11.289
  266   3HD2  LEU  31          HD23      LEU  31  19.137   1.893 -11.846
  Start of MODEL   25
    1   1H    SER   1           HT1      SER   1 -16.298  -3.499  13.555
    2   2H    SER   1           HT2      SER   1 -17.343  -4.781  13.942
    3   3H    SER   1           HT3      SER   1 -17.203  -3.450  14.990
    4    HA   SER   1           HA       SER   1 -19.270  -3.326  13.708
    5   1HB   SER   1          HB2       SER   1 -17.113  -1.310  12.994
    6   2HB   SER   1          HB1       SER   1 -18.847  -1.006  12.968
    7    HG   SER   1           HG       SER   1 -17.642  -0.378  14.932
    8    H    GLY   2           HN       GLY   2 -20.188  -4.058  11.832
    9   1HA   GLY   2          HA2       GLY   2 -18.506  -4.083   9.352
   10   2HA   GLY   2          HA1       GLY   2 -19.623  -5.391   9.746
   11    H    SER   3           HN       SER   3 -19.378  -2.938   7.682
   12    HA   SER   3           HA       SER   3 -22.318  -2.640   7.443
   13   1HB   SER   3          HB2       SER   3 -21.829  -0.070   7.249
   14   2HB   SER   3          HB1       SER   3 -21.943  -0.797   8.847
   15    HG   SER   3           HG       SER   3 -19.962  -0.183   9.143
   16    H    TRP   4           HN       TRP   4 -19.234  -1.305   6.147
   17    HA   TRP   4           HA       TRP   4 -20.146  -2.101   3.409
   18   1HB   TRP   4          HB2       TRP   4 -18.945   0.199   2.797
   19   2HB   TRP   4          HB1       TRP   4 -20.632   0.170   3.296
   20    HD1  TRP   4           HD1      TRP   4 -21.242   1.136   5.673
   21    HE1  TRP   4           HE1      TRP   4 -19.945   2.608   7.346
   22    HE3  TRP   4           HE3      TRP   4 -16.533   0.728   3.740
   23    HZ2  TRP   4           HZ2      TRP   4 -17.267   3.499   7.798
   24    HZ3  TRP   4           HZ3      TRP   4 -14.632   1.902   4.809
   25    HH2  TRP   4           HH2      TRP   4 -14.991   3.285   6.834
   26    H    LEU   5           HN       LEU   5 -18.536  -3.082   2.240
   27    HA   LEU   5           HA       LEU   5 -15.783  -3.115   3.427
   28   1HB   LEU   5          HB2       LEU   5 -17.593  -5.063   2.092
   29   2HB   LEU   5          HB1       LEU   5 -15.880  -5.218   1.707
   30    HG   LEU   5           HG       LEU   5 -16.463  -6.616   3.647
   31   1HD1  LEU   5          HD11      LEU   5 -14.549  -6.115   4.803
   32   2HD1  LEU   5          HD12      LEU   5 -14.953  -4.404   4.942
   33   3HD1  LEU   5          HD13      LEU   5 -14.292  -5.034   3.432
   34   1HD2  LEU   5          HD21      LEU   5 -17.060  -4.086   5.182
   35   2HD2  LEU   5          HD22      LEU   5 -17.412  -5.754   5.634
   36   3HD2  LEU   5          HD23      LEU   5 -18.339  -4.975   4.354
   37    H    ARG   6           HN       ARG   6 -17.608  -2.414   0.491
   38    HA   ARG   6           HA       ARG   6 -15.432  -2.436  -1.384
   39   1HB   ARG   6          HB2       ARG   6 -18.003  -2.382  -1.702
   40   2HB   ARG   6          HB1       ARG   6 -17.855  -0.636  -1.499
   41   1HG   ARG   6          HG2       ARG   6 -15.975  -0.838  -3.308
   42   2HG   ARG   6          HG1       ARG   6 -16.743  -2.382  -3.683
   43   1HD   ARG   6          HD2       ARG   6 -18.825  -1.324  -4.232
   44   2HD   ARG   6          HD1       ARG   6 -18.295   0.223  -3.545
   45    HE   ARG   6           HE       ARG   6 -16.505   0.222  -5.355
   46   1HH1  ARG   6          HH11      ARG   6 -19.014   0.924  -6.682
   47   2HH1  ARG   6          HH12      ARG   6 -19.145  -0.247  -7.952
   48   1HH2  ARG   6          HH21      ARG   6 -16.820  -2.416  -6.545
   49   2HH2  ARG   6          HH22      ARG   6 -17.897  -2.146  -7.875
   50    H    ASP   7           HN       ASP   7 -16.348  -0.122   1.081
   51    HA   ASP   7           HA       ASP   7 -14.591   1.968  -0.144
   52   1HB   ASP   7          HB2       ASP   7 -17.051   2.296   0.610
   53   2HB   ASP   7          HB1       ASP   7 -16.405   2.255   2.251
   54    H    ILE   8           HN       ILE   8 -14.758  -0.300   2.516
   55    HA   ILE   8           HA       ILE   8 -13.027   1.046   4.369
   56    HB   ILE   8           HB       ILE   8 -14.599  -0.986   4.655
   57   1HG1  ILE   8          HG12      ILE   8 -11.861  -1.403   5.854
   58   2HG1  ILE   8          HG11      ILE   8 -12.834   0.000   6.291
   59   1HG2  ILE   8          HG21      ILE   8 -13.891  -3.094   4.043
   60   2HG2  ILE   8          HG22      ILE   8 -12.184  -2.676   4.170
   61   3HG2  ILE   8          HG23      ILE   8 -13.114  -2.168   2.761
   62   1HD1  ILE   8          HD11      ILE   8 -13.760  -2.880   6.508
   63   2HD1  ILE   8          HD12      ILE   8 -14.667  -1.454   7.011
   64   3HD1  ILE   8          HD13      ILE   8 -13.185  -1.900   7.857
   65    H    TRP   9           HN       TRP   9 -12.315  -0.552   1.356
   66    HA   TRP   9           HA       TRP   9  -9.638  -1.435   1.905
   67   1HB   TRP   9          HB2       TRP   9  -9.885  -2.139  -0.235
   68   2HB   TRP   9          HB1       TRP   9 -11.446  -1.326  -0.275
   69    HD1  TRP   9           HD1      TRP   9  -7.808  -0.919  -1.327
   70    HE1  TRP   9           HE1      TRP   9  -7.624   1.051  -2.980
   71    HE3  TRP   9           HE3      TRP   9 -12.551   0.940  -1.012
   72    HZ2  TRP   9           HZ2      TRP   9  -9.277   3.137  -4.036
   73    HZ3  TRP   9           HZ3      TRP   9 -13.221   2.915  -2.348
   74    HH2  TRP   9           HH2      TRP   9 -11.592   4.016  -3.858
   75    H    ASP  10           HN       ASP  10 -10.964   1.721   0.954
   76    HA   ASP  10           HA       ASP  10  -8.621   3.130   0.278
   77   1HB   ASP  10          HB2       ASP  10 -10.848   4.050   0.042
   78   2HB   ASP  10          HB1       ASP  10 -11.134   3.938   1.779
   79    H    TRP  11           HN       TRP  11  -9.920   2.333   3.494
   80    HA   TRP  11           HA       TRP  11  -8.147   3.904   5.090
   81   1HB   TRP  11          HB2       TRP  11  -9.909   3.004   6.292
   82   2HB   TRP  11          HB1       TRP  11  -9.913   1.511   5.363
   83    HD1  TRP  11           HD1      TRP  11  -6.783   2.780   7.171
   84    HE1  TRP  11           HE1      TRP  11  -6.170   1.113   9.036
   85    HE3  TRP  11           HE3      TRP  11 -10.833  -0.308   6.947
   86    HZ2  TRP  11           HZ2      TRP  11  -7.258  -1.224  10.272
   87    HZ3  TRP  11           HZ3      TRP  11 -11.023  -2.246   8.477
   88    HH2  TRP  11           HH2      TRP  11  -9.242  -2.709  10.139
   89    H    ILE  12           HN       ILE  12  -7.873   0.491   4.002
   90    HA   ILE  12           HA       ILE  12  -5.160   0.208   5.059
   91    HB   ILE  12           HB       ILE  12  -6.722  -1.467   3.069
   92   1HG1  ILE  12          HG12      ILE  12  -6.740  -2.669   5.621
   93   2HG1  ILE  12          HG11      ILE  12  -7.142  -0.973   5.895
   94   1HG2  ILE  12          HG21      ILE  12  -4.562  -2.332   2.995
   95   2HG2  ILE  12          HG22      ILE  12  -5.241  -3.258   4.334
   96   3HG2  ILE  12          HG23      ILE  12  -4.209  -1.865   4.659
   97   1HD1  ILE  12          HD11      ILE  12  -8.746  -3.066   4.670
   98   2HD1  ILE  12          HD12      ILE  12  -8.581  -1.676   3.598
   99   3HD1  ILE  12          HD13      ILE  12  -9.236  -1.464   5.222
  100    H    CYS  13           HN       CYS  13  -6.600   1.095   1.952
  101    HA   CYS  13           HA       CYS  13  -4.369   0.689   0.238
  102   1HB   CYS  13          HB2       CYS  13  -6.722   1.251  -0.404
  103   2HB   CYS  13          HB1       CYS  13  -6.462   2.891   0.188
  104    HG   CYS  13           HG       CYS  13  -5.495   1.814  -2.482
  105    H    GLU  14           HN       GLU  14  -5.214   3.451   2.337
  106    HA   GLU  14           HA       GLU  14  -3.101   5.208   1.481
  107   1HB   GLU  14          HB2       GLU  14  -5.252   5.669   2.816
  108   2HB   GLU  14          HB1       GLU  14  -4.377   5.070   4.225
  109   1HG   GLU  14          HG2       GLU  14  -3.101   7.173   2.503
  110   2HG   GLU  14          HG1       GLU  14  -4.352   7.649   3.650
  111    H    VAL  15           HN       VAL  15  -3.349   3.194   4.463
  112    HA   VAL  15           HA       VAL  15  -0.640   3.600   5.299
  113    HB   VAL  15           HB       VAL  15  -2.568   2.766   6.673
  114   1HG1  VAL  15          HG11      VAL  15  -3.120   0.358   6.565
  115   2HG1  VAL  15          HG12      VAL  15  -2.052   0.182   5.172
  116   3HG1  VAL  15          HG13      VAL  15  -3.503   1.176   5.051
  117   1HG2  VAL  15          HG21      VAL  15  -1.207   0.947   7.845
  118   2HG2  VAL  15          HG22      VAL  15  -0.398   2.500   7.633
  119   3HG2  VAL  15          HG23      VAL  15  -0.013   1.152   6.564
  120    H    LEU  16           HN       LEU  16  -2.061   1.327   2.984
  121    HA   LEU  16           HA       LEU  16   0.109  -0.541   2.797
  122   1HB   LEU  16          HB2       LEU  16  -2.278  -0.622   1.837
  123   2HB   LEU  16          HB1       LEU  16  -1.677   0.405   0.536
  124    HG   LEU  16           HG       LEU  16   0.036  -1.924   1.094
  125   1HD1  LEU  16          HD11      LEU  16  -2.878  -2.229   0.483
  126   2HD1  LEU  16          HD12      LEU  16  -1.814  -3.276   1.421
  127   3HD1  LEU  16          HD13      LEU  16  -1.742  -3.297  -0.341
  128   1HD2  LEU  16          HD21      LEU  16   0.274  -0.393  -0.853
  129   2HD2  LEU  16          HD22      LEU  16  -1.323  -0.885  -1.416
  130   3HD2  LEU  16          HD23      LEU  16  -0.007  -2.058  -1.359
  131    H    SER  17           HN       SER  17  -0.533   2.559   1.132
  132    HA   SER  17           HA       SER  17   1.747   2.499  -0.627
  133   1HB   SER  17          HB2       SER  17  -0.397   3.999  -0.545
  134   2HB   SER  17          HB1       SER  17   0.527   4.988   0.580
  135    HG   SER  17           HG       SER  17   1.333   4.231  -2.045
  136    H    ASP  18           HN       ASP  18   1.284   3.679   2.715
  137    HA   ASP  18           HA       ASP  18   3.847   4.931   3.043
  138   1HB   ASP  18          HB2       ASP  18   2.114   5.314   4.657
  139   2HB   ASP  18          HB1       ASP  18   1.869   3.585   4.907
  140    H    PHE  19           HN       PHE  19   2.713   1.589   3.620
  141    HA   PHE  19           HA       PHE  19   5.179   0.509   4.601
  142   1HB   PHE  19          HB2       PHE  19   2.724  -0.414   4.483
  143   2HB   PHE  19          HB1       PHE  19   3.208  -1.011   2.895
  144    HD1  PHE  19           HD1      PHE  19   4.125  -1.066   6.513
  145    HD2  PHE  19           HD2      PHE  19   4.556  -2.949   2.675
  146    HE1  PHE  19           HE1      PHE  19   5.287  -2.979   7.581
  147    HE2  PHE  19           HE2      PHE  19   5.717  -4.861   3.745
  148    HZ   PHE  19           HZ       PHE  19   6.082  -4.876   6.198
  149    H    LYS  20           HN       LYS  20   3.922   1.021   1.309
  150    HA   LYS  20           HA       LYS  20   5.955  -0.436  -0.115
  151   1HB   LYS  20          HB2       LYS  20   3.636   0.945  -0.693
  152   2HB   LYS  20          HB1       LYS  20   4.866   2.017  -1.362
  153   1HG   LYS  20          HG2       LYS  20   4.906  -0.951  -1.920
  154   2HG   LYS  20          HG1       LYS  20   3.937   0.150  -2.900
  155   1HD   LYS  20          HD2       LYS  20   6.011   1.510  -3.310
  156   2HD   LYS  20          HD1       LYS  20   6.938   0.262  -2.475
  157   1HE   LYS  20          HE2       LYS  20   5.250  -1.011  -4.435
  158   2HE   LYS  20          HE1       LYS  20   6.170   0.288  -5.218
  159   1HZ   LYS  20          HZ1       LYS  20   8.192  -0.548  -4.287
  160   2HZ   LYS  20          HZ2       LYS  20   7.409  -1.845  -5.055
  161   3HZ   LYS  20          HZ3       LYS  20   7.365  -1.705  -3.362
  162    H    THR  21           HN       THR  21   5.753   2.921   1.082
  163    HA   THR  21           HA       THR  21   8.181   3.906  -0.105
  164    HB   THR  21           HB       THR  21   6.878   4.667   2.536
  165    HG1  THR  21           HG1      THR  21   5.330   5.514   1.409
  166   1HG2  THR  21          HG21      THR  21   7.763   6.933   1.914
  167   2HG2  THR  21          HG22      THR  21   8.610   6.179   0.563
  168   3HG2  THR  21          HG23      THR  21   9.027   5.740   2.221
  169    H    TRP  22           HN       TRP  22   7.470   2.266   2.985
  170    HA   TRP  22           HA       TRP  22  10.141   2.390   4.066
  171   1HB   TRP  22          HB2       TRP  22   8.162   1.938   5.431
  172   2HB   TRP  22          HB1       TRP  22   7.807   0.489   4.489
  173    HD1  TRP  22           HD1      TRP  22  10.213   1.851   7.118
  174    HE1  TRP  22           HE1      TRP  22  11.506  -0.119   8.165
  175    HE3  TRP  22           HE3      TRP  22   8.654  -1.942   4.080
  176    HZ2  TRP  22           HZ2      TRP  22  11.834  -2.934   7.766
  177    HZ3  TRP  22           HZ3      TRP  22   9.471  -4.254   4.432
  178    HH2  TRP  22           HH2      TRP  22  11.057  -4.755   6.268
  179    H    LEU  23           HN       LEU  23   8.413  -0.004   2.052
  180    HA   LEU  23           HA       LEU  23  10.357  -2.070   2.012
  181   1HB   LEU  23          HB2       LEU  23   7.966  -1.284   0.617
  182   2HB   LEU  23          HB1       LEU  23   9.160  -1.796  -0.571
  183    HG   LEU  23           HG       LEU  23   7.989  -3.778   0.042
  184   1HD1  LEU  23          HD11      LEU  23  10.321  -3.968   1.928
  185   2HD1  LEU  23          HD12      LEU  23  10.614  -3.731   0.204
  186   3HD1  LEU  23          HD13      LEU  23   9.733  -5.153   0.763
  187   1HD2  LEU  23          HD21      LEU  23   6.868  -3.852   1.990
  188   2HD2  LEU  23          HD22      LEU  23   7.713  -2.410   2.551
  189   3HD2  LEU  23          HD23      LEU  23   8.399  -4.006   2.850
  190    H    LYS  24           HN       LYS  24  10.122   0.925   0.093
  191    HA   LYS  24           HA       LYS  24  12.330   0.376  -1.685
  192   1HB   LYS  24          HB2       LYS  24  10.450   2.123  -1.847
  193   2HB   LYS  24          HB1       LYS  24  11.372   3.073  -0.681
  194   1HG   LYS  24          HG2       LYS  24  13.363   2.640  -2.366
  195   2HG   LYS  24          HG1       LYS  24  12.054   2.379  -3.519
  196   1HD   LYS  24          HD2       LYS  24  11.756   4.600  -3.711
  197   2HD   LYS  24          HD1       LYS  24  11.441   4.718  -1.980
  198   1HE   LYS  24          HE2       LYS  24  13.376   5.901  -1.829
  199   2HE   LYS  24          HE1       LYS  24  14.230   4.385  -2.171
  200   1HZ   LYS  24          HZ1       LYS  24  13.147   6.263  -4.212
  201   2HZ   LYS  24          HZ2       LYS  24  13.939   4.794  -4.542
  202   3HZ   LYS  24          HZ3       LYS  24  14.787   6.076  -3.817
  203    H    ALA  25           HN       ALA  25  12.062   2.013   1.480
  204    HA   ALA  25           HA       ALA  25  14.830   2.818   1.680
  205   1HB   ALA  25          HB1       ALA  25  12.927   2.128   3.939
  206   2HB   ALA  25          HB2       ALA  25  12.761   3.605   2.990
  207   3HB   ALA  25          HB3       ALA  25  14.217   3.330   3.944
  208    H    LYS  26           HN       LYS  26  13.009  -0.046   2.805
  209    HA   LYS  26           HA       LYS  26  15.226  -1.358   4.108
  210   1HB   LYS  26          HB2       LYS  26  12.662  -1.736   4.253
  211   2HB   LYS  26          HB1       LYS  26  12.855  -2.697   2.787
  212   1HG   LYS  26          HG2       LYS  26  14.753  -3.271   5.008
  213   2HG   LYS  26          HG1       LYS  26  13.078  -3.759   5.259
  214   1HD   LYS  26          HD2       LYS  26  13.297  -5.493   3.837
  215   2HD   LYS  26          HD1       LYS  26  13.948  -4.444   2.577
  216   1HE   LYS  26          HE2       LYS  26  16.187  -4.543   3.742
  217   2HE   LYS  26          HE1       LYS  26  15.500  -5.764   4.831
  218   1HZ   LYS  26          HZ1       LYS  26  15.589  -5.924   1.861
  219   2HZ   LYS  26          HZ2       LYS  26  14.856  -7.071   2.882
  220   3HZ   LYS  26          HZ3       LYS  26  16.537  -6.834   2.934
  221    H    LEU  27           HN       LEU  27  14.019  -1.287   0.779
  222    HA   LEU  27           HA       LEU  27  15.681  -3.460  -0.213
  223   1HB   LEU  27          HB2       LEU  27  13.475  -2.365  -1.109
  224   2HB   LEU  27          HB1       LEU  27  14.548  -1.171  -1.831
  225    HG   LEU  27           HG       LEU  27  13.966  -3.054  -3.377
  226   1HD1  LEU  27          HD11      LEU  27  16.889  -3.325  -2.803
  227   2HD1  LEU  27          HD12      LEU  27  16.262  -1.730  -3.221
  228   3HD1  LEU  27          HD13      LEU  27  16.066  -3.077  -4.343
  229   1HD2  LEU  27          HD21      LEU  27  15.768  -4.788  -1.694
  230   2HD2  LEU  27          HD22      LEU  27  14.632  -5.271  -2.953
  231   3HD2  LEU  27          HD23      LEU  27  14.032  -4.733  -1.384
  232    H    MET  28           HN       MET  28  15.884   0.116  -0.334
  233    HA   MET  28           HA       MET  28  18.412   0.213  -1.732
  234   1HB   MET  28          HB2       MET  28  16.644   2.001  -1.570
  235   2HB   MET  28          HB1       MET  28  17.115   2.245   0.111
  236   1HG   MET  28          HG2       MET  28  18.693   3.678  -0.620
  237   2HG   MET  28          HG1       MET  28  19.523   2.302  -1.344
  238   1HE   MET  28          HE1       MET  28  19.505   2.892  -4.898
  239   2HE   MET  28          HE2       MET  28  19.525   1.620  -3.679
  240   3HE   MET  28          HE3       MET  28  20.529   3.051  -3.464
  241    HA   PRO  29           HA       PRO  29  20.757  -0.878   1.948
  242   1HB   PRO  29          HB2       PRO  29  23.154  -1.170   0.664
  243   2HB   PRO  29          HB1       PRO  29  21.889  -2.414   0.640
  244   1HG   PRO  29          HG2       PRO  29  22.662  -0.461  -1.451
  245   2HG   PRO  29          HG1       PRO  29  22.062  -2.117  -1.614
  246   1HD   PRO  29          HD2       PRO  29  20.547   0.165  -1.992
  247   2HD   PRO  29          HD1       PRO  29  19.895  -1.450  -1.645
  248    H    GLN  30           HN       GLN  30  23.202  -0.017   2.566
  249    HA   GLN  30           HA       GLN  30  22.967   2.939   2.573
  250   1HB   GLN  30          HB2       GLN  30  23.432   1.318   4.563
  251   2HB   GLN  30          HB1       GLN  30  25.076   1.251   3.928
  252   1HG   GLN  30          HG2       GLN  30  24.479   3.973   3.920
  253   2HG   GLN  30          HG1       GLN  30  23.751   3.389   5.417
  254   1HE2  GLN  30          HE21      GLN  30  26.835   2.883   3.584
  255   2HE2  GLN  30          HE22      GLN  30  27.822   2.913   4.965
  256    H    LEU  31           HN       LEU  31  23.532   2.994   0.178
  257    HA   LEU  31           HA       LEU  31  26.509   2.950  -0.196
  258   1HB   LEU  31          HB2       LEU  31  24.625   1.231  -1.317
  259   2HB   LEU  31          HB1       LEU  31  24.902   2.422  -2.588
  260    HG   LEU  31           HG       LEU  31  27.254   1.242  -1.139
  261   1HD1  LEU  31          HD11      LEU  31  25.753  -0.638  -1.904
  262   2HD1  LEU  31          HD12      LEU  31  27.338  -0.621  -2.673
  263   3HD1  LEU  31          HD13      LEU  31  25.927  -0.029  -3.550
  264   1HD2  LEU  31          HD21      LEU  31  26.792   2.185  -3.988
  265   2HD2  LEU  31          HD22      LEU  31  28.339   1.684  -3.305
  266   3HD2  LEU  31          HD23      LEU  31  27.542   3.141  -2.711
  Start of MODEL   26
    1   1H    SER   1           HT1      SER   1 -23.584 -10.581  -6.113
    2   2H    SER   1           HT2      SER   1 -22.983  -9.006  -6.330
    3   3H    SER   1           HT3      SER   1 -23.579  -9.491  -4.813
    4    HA   SER   1           HA       SER   1 -21.761 -11.211  -4.750
    5   1HB   SER   1          HB2       SER   1 -19.889 -10.571  -6.397
    6   2HB   SER   1          HB1       SER   1 -21.306 -11.353  -7.091
    7    HG   SER   1           HG       SER   1 -20.398  -9.259  -8.030
    8    H    GLY   2           HN       GLY   2 -20.980  -7.883  -5.875
    9   1HA   GLY   2          HA2       GLY   2 -19.232  -7.414  -3.596
   10   2HA   GLY   2          HA1       GLY   2 -19.696  -6.218  -4.807
   11    H    SER   3           HN       SER   3 -20.458  -7.564  -1.688
   12    HA   SER   3           HA       SER   3 -22.929  -5.951  -1.407
   13   1HB   SER   3          HB2       SER   3 -22.554  -8.349  -0.588
   14   2HB   SER   3          HB1       SER   3 -21.497  -7.663   0.644
   15    HG   SER   3           HG       SER   3 -23.186  -6.763   1.606
   16    H    TRP   4           HN       TRP   4 -19.742  -6.227   0.231
   17    HA   TRP   4           HA       TRP   4 -19.742  -3.315   0.744
   18   1HB   TRP   4          HB2       TRP   4 -20.836  -5.108   2.587
   19   2HB   TRP   4          HB1       TRP   4 -19.208  -4.822   3.198
   20    HD1  TRP   4           HD1      TRP   4 -22.285  -2.812   2.010
   21    HE1  TRP   4           HE1      TRP   4 -22.347  -0.587   3.306
   22    HE3  TRP   4           HE3      TRP   4 -17.941  -3.213   4.682
   23    HZ2  TRP   4           HZ2      TRP   4 -20.773   0.835   5.219
   24    HZ3  TRP   4           HZ3      TRP   4 -17.253  -1.408   6.231
   25    HH2  TRP   4           HH2      TRP   4 -18.661   0.614   6.503
   26    H    LEU   5           HN       LEU   5 -17.664  -3.227   2.575
   27    HA   LEU   5           HA       LEU   5 -15.326  -3.353   2.752
   28   1HB   LEU   5          HB2       LEU   5 -16.404  -5.983   2.266
   29   2HB   LEU   5          HB1       LEU   5 -14.816  -5.850   1.510
   30    HG   LEU   5           HG       LEU   5 -13.946  -4.920   3.686
   31   1HD1  LEU   5          HD11      LEU   5 -16.077  -4.159   4.630
   32   2HD1  LEU   5          HD12      LEU   5 -15.342  -5.350   5.703
   33   3HD1  LEU   5          HD13      LEU   5 -16.679  -5.816   4.654
   34   1HD2  LEU   5          HD21      LEU   5 -13.973  -7.144   4.836
   35   2HD2  LEU   5          HD22      LEU   5 -13.576  -7.256   3.121
   36   3HD2  LEU   5          HD23      LEU   5 -15.193  -7.681   3.682
   37    H    ARG   6           HN       ARG   6 -16.683  -2.466   0.097
   38    HA   ARG   6           HA       ARG   6 -14.489  -3.056  -1.829
   39   1HB   ARG   6          HB2       ARG   6 -17.222  -2.868  -2.053
   40   2HB   ARG   6          HB1       ARG   6 -16.720  -1.259  -2.574
   41   1HG   ARG   6          HG2       ARG   6 -15.093  -3.454  -3.690
   42   2HG   ARG   6          HG1       ARG   6 -16.780  -3.468  -4.203
   43   1HD   ARG   6          HD2       ARG   6 -15.918  -2.015  -5.798
   44   2HD   ARG   6          HD1       ARG   6 -16.286  -0.838  -4.523
   45    HE   ARG   6           HE       ARG   6 -13.836  -1.416  -3.737
   46   1HH1  ARG   6          HH21      ARG   6 -13.243  -3.046  -6.188
   47   2HH1  ARG   6          HH22      ARG   6 -12.495  -1.880  -7.228
   48   1HH2  ARG   6          HH11      ARG   6 -13.645   0.856  -5.416
   49   2HH2  ARG   6          HH12      ARG   6 -12.725   0.340  -6.787
   50    H    ASP   7           HN       ASP   7 -15.962  -0.390  -0.014
   51    HA   ASP   7           HA       ASP   7 -14.005   1.559  -1.125
   52   1HB   ASP   7          HB2       ASP   7 -16.581   1.619   0.424
   53   2HB   ASP   7          HB1       ASP   7 -15.511   3.020   0.504
   54    H    ILE   8           HN       ILE   8 -14.572  -0.405   1.707
   55    HA   ILE   8           HA       ILE   8 -13.222   1.113   3.712
   56    HB   ILE   8           HB       ILE   8 -14.671  -0.991   3.894
   57   1HG1  ILE   8          HG12      ILE   8 -12.003  -1.008   5.348
   58   2HG1  ILE   8          HG11      ILE   8 -13.387  -0.011   5.789
   59   1HG2  ILE   8          HG21      ILE   8 -13.618  -3.138   3.660
   60   2HG2  ILE   8          HG22      ILE   8 -12.036  -2.405   3.405
   61   3HG2  ILE   8          HG23      ILE   8 -13.288  -2.253   2.171
   62   1HD1  ILE   8          HD11      ILE   8 -14.748  -2.039   6.141
   63   2HD1  ILE   8          HD12      ILE   8 -13.310  -2.060   7.162
   64   3HD1  ILE   8          HD13      ILE   8 -13.366  -3.042   5.699
   65    H    TRP   9           HN       TRP   9 -11.967  -0.819   1.047
   66    HA   TRP   9           HA       TRP   9  -9.352  -1.395   1.969
   67   1HB   TRP   9          HB2       TRP   9 -10.487  -0.722  -0.761
   68   2HB   TRP   9          HB1       TRP   9  -8.838  -1.301  -0.533
   69    HD1  TRP   9           HD1      TRP   9  -9.680  -3.366   1.877
   70    HE1  TRP   9           HE1      TRP   9 -10.806  -5.585   1.200
   71    HE3  TRP   9           HE3      TRP   9 -11.355  -2.124  -2.785
   72    HZ2  TRP   9           HZ2      TRP   9 -12.224  -6.688  -1.022
   73    HZ3  TRP   9           HZ3      TRP   9 -12.587  -3.778  -4.158
   74    HH2  TRP   9           HH2      TRP   9 -13.024  -6.056  -3.284
   75    H    ASP  10           HN       ASP  10 -10.673   1.613   0.597
   76    HA   ASP  10           HA       ASP  10  -8.335   3.089   0.086
   77   1HB   ASP  10          HB2       ASP  10 -10.453   4.001  -0.481
   78   2HB   ASP  10          HB1       ASP  10 -11.084   3.761   1.148
   79    H    TRP  11           HN       TRP  11  -9.965   2.516   3.208
   80    HA   TRP  11           HA       TRP  11  -8.407   4.254   4.847
   81   1HB   TRP  11          HB2       TRP  11 -10.298   3.424   5.891
   82   2HB   TRP  11          HB1       TRP  11 -10.154   1.849   5.128
   83    HD1  TRP  11           HD1      TRP  11  -7.315   3.399   7.182
   84    HE1  TRP  11           HE1      TRP  11  -6.916   1.943   9.272
   85    HE3  TRP  11           HE3      TRP  11 -11.225   0.153   6.746
   86    HZ2  TRP  11           HZ2      TRP  11  -8.101  -0.303  10.583
   87    HZ3  TRP  11           HZ3      TRP  11 -11.567  -1.635   8.427
   88    HH2  TRP  11           HH2      TRP  11 -10.013  -1.868  10.343
   89    H    ILE  12           HN       ILE  12  -7.982   0.736   4.241
   90    HA   ILE  12           HA       ILE  12  -5.401   0.639   5.594
   91    HB   ILE  12           HB       ILE  12  -6.694  -1.279   3.629
   92   1HG1  ILE  12          HG12      ILE  12  -6.983  -2.130   6.336
   93   2HG1  ILE  12          HG11      ILE  12  -7.543  -0.460   6.247
   94   1HG2  ILE  12          HG21      ILE  12  -4.382  -1.430   5.526
   95   2HG2  ILE  12          HG22      ILE  12  -4.554  -2.126   3.916
   96   3HG2  ILE  12          HG23      ILE  12  -5.367  -2.874   5.292
   97   1HD1  ILE  12          HD11      ILE  12  -8.848  -1.177   4.156
   98   2HD1  ILE  12          HD12      ILE  12  -9.448  -1.774   5.704
   99   3HD1  ILE  12          HD13      ILE  12  -8.510  -2.835   4.654
  100    H    CYS  13           HN       CYS  13  -6.476   1.106   2.251
  101    HA   CYS  13           HA       CYS  13  -4.052   0.581   0.867
  102   1HB   CYS  13          HB2       CYS  13  -6.369   1.035  -0.053
  103   2HB   CYS  13          HB1       CYS  13  -6.095   2.747   0.276
  104    HG   CYS  13           HG       CYS  13  -4.274   1.125  -1.694
  105    H    GLU  14           HN       GLU  14  -5.181   3.532   2.527
  106    HA   GLU  14           HA       GLU  14  -2.983   5.230   1.737
  107   1HB   GLU  14          HB2       GLU  14  -5.260   5.875   2.666
  108   2HB   GLU  14          HB1       GLU  14  -4.689   5.342   4.248
  109   1HG   GLU  14          HG2       GLU  14  -4.345   7.735   4.098
  110   2HG   GLU  14          HG1       GLU  14  -2.766   6.952   4.022
  111    H    VAL  15           HN       VAL  15  -3.620   3.346   4.723
  112    HA   VAL  15           HA       VAL  15  -1.135   3.952   6.033
  113    HB   VAL  15           HB       VAL  15  -3.096   1.637   6.203
  114   1HG1  VAL  15          HG11      VAL  15  -0.630   2.287   7.812
  115   2HG1  VAL  15          HG12      VAL  15  -1.163   0.726   7.187
  116   3HG1  VAL  15          HG13      VAL  15  -1.992   1.455   8.563
  117   1HG2  VAL  15          HG21      VAL  15  -2.703   4.232   7.711
  118   2HG2  VAL  15          HG22      VAL  15  -3.649   2.900   8.375
  119   3HG2  VAL  15          HG23      VAL  15  -4.148   3.671   6.869
  120    H    LEU  16           HN       LEU  16  -2.086   1.427   3.716
  121    HA   LEU  16           HA       LEU  16   0.305  -0.173   3.912
  122   1HB   LEU  16          HB2       LEU  16  -1.984  -0.720   2.895
  123   2HB   LEU  16          HB1       LEU  16  -1.476   0.219   1.491
  124    HG   LEU  16           HG       LEU  16   0.546  -1.721   2.367
  125   1HD1  LEU  16          HD11      LEU  16  -1.516  -2.987   2.940
  126   2HD1  LEU  16          HD12      LEU  16  -0.658  -3.706   1.578
  127   3HD1  LEU  16          HD13      LEU  16  -2.105  -2.739   1.295
  128   1HD2  LEU  16          HD21      LEU  16  -0.744  -1.818  -0.313
  129   2HD2  LEU  16          HD22      LEU  16   0.967  -1.803   0.112
  130   3HD2  LEU  16          HD23      LEU  16   0.045  -0.301   0.118
  131    H    SER  17           HN       SER  17  -0.464   2.819   2.218
  132    HA   SER  17           HA       SER  17   1.611   2.804   0.241
  133   1HB   SER  17          HB2       SER  17  -0.480   4.413   0.937
  134   2HB   SER  17          HB1       SER  17   0.865   5.362   1.562
  135    HG   SER  17           HG       SER  17   0.296   5.757  -0.683
  136    H    ASP  18           HN       ASP  18   1.554   3.931   3.634
  137    HA   ASP  18           HA       ASP  18   4.188   5.057   3.726
  138   1HB   ASP  18          HB2       ASP  18   2.491   3.653   5.828
  139   2HB   ASP  18          HB1       ASP  18   3.910   4.636   6.188
  140    H    PHE  19           HN       PHE  19   2.984   1.751   4.317
  141    HA   PHE  19           HA       PHE  19   5.528   0.579   5.020
  142   1HB   PHE  19          HB2       PHE  19   3.066  -0.231   5.326
  143   2HB   PHE  19          HB1       PHE  19   3.224  -0.843   3.680
  144    HD1  PHE  19           HD1      PHE  19   4.581  -2.765   3.178
  145    HD2  PHE  19           HD2      PHE  19   4.572  -1.078   7.130
  146    HE1  PHE  19           HE1      PHE  19   5.782  -4.759   4.031
  147    HE2  PHE  19           HE2      PHE  19   5.775  -3.072   7.983
  148    HZ   PHE  19           HZ       PHE  19   6.379  -4.912   6.433
  149    H    LYS  20           HN       LYS  20   3.808   1.068   1.938
  150    HA   LYS  20           HA       LYS  20   5.475  -0.540   0.253
  151   1HB   LYS  20          HB2       LYS  20   3.199   0.755  -0.088
  152   2HB   LYS  20          HB1       LYS  20   4.248   2.075  -0.603
  153   1HG   LYS  20          HG2       LYS  20   5.199   0.750  -2.362
  154   2HG   LYS  20          HG1       LYS  20   4.443  -0.720  -1.746
  155   1HD   LYS  20          HD2       LYS  20   2.264   0.910  -2.069
  156   2HD   LYS  20          HD1       LYS  20   3.292   1.434  -3.403
  157   1HE   LYS  20          HE2       LYS  20   3.095  -0.569  -4.515
  158   2HE   LYS  20          HE1       LYS  20   3.071  -1.513  -3.012
  159   1HZ   LYS  20          HZ1       LYS  20   0.861   0.253  -3.934
  160   2HZ   LYS  20          HZ2       LYS  20   0.850  -0.745  -2.558
  161   3HZ   LYS  20          HZ3       LYS  20   0.879  -1.434  -4.112
  162    H    THR  21           HN       THR  21   5.713   2.889   1.241
  163    HA   THR  21           HA       THR  21   8.037   3.539  -0.332
  164    HB   THR  21           HB       THR  21   7.010   4.691   2.291
  165    HG1  THR  21           HG1      THR  21   5.460   5.479   1.137
  166   1HG2  THR  21          HG21      THR  21   9.325   5.387   1.542
  167   2HG2  THR  21          HG22      THR  21   8.165   6.709   1.665
  168   3HG2  THR  21          HG23      THR  21   8.582   6.047   0.085
  169    H    TRP  22           HN       TRP  22   7.623   2.419   3.040
  170    HA   TRP  22           HA       TRP  22  10.378   2.504   3.817
  171   1HB   TRP  22          HB2       TRP  22   8.737   2.283   5.509
  172   2HB   TRP  22          HB1       TRP  22   7.907   0.982   4.658
  173    HD1  TRP  22           HD1      TRP  22  10.953   1.676   6.855
  174    HE1  TRP  22           HE1      TRP  22  11.867  -0.565   7.742
  175    HE3  TRP  22           HE3      TRP  22   8.058  -1.574   4.185
  176    HZ2  TRP  22           HZ2      TRP  22  11.426  -3.371   7.365
  177    HZ3  TRP  22           HZ3      TRP  22   8.324  -4.020   4.467
  178    HH2  TRP  22           HH2      TRP  22  10.003  -4.922   6.050
  179    H    LEU  23           HN       LEU  23   8.409  -0.096   2.349
  180    HA   LEU  23           HA       LEU  23  10.537  -2.061   2.308
  181   1HB   LEU  23          HB2       LEU  23   8.023  -2.414   2.249
  182   2HB   LEU  23          HB1       LEU  23   8.058  -1.874   0.573
  183    HG   LEU  23           HG       LEU  23   9.241  -3.759  -0.151
  184   1HD1  LEU  23          HD11      LEU  23  10.128  -4.037   2.728
  185   2HD1  LEU  23          HD12      LEU  23  11.132  -3.751   1.306
  186   3HD1  LEU  23          HD13      LEU  23  10.362  -5.318   1.541
  187   1HD2  LEU  23          HD21      LEU  23   7.532  -4.608   2.202
  188   2HD2  LEU  23          HD22      LEU  23   8.177  -5.737   1.010
  189   3HD2  LEU  23          HD23      LEU  23   7.037  -4.485   0.514
  190    H    LYS  24           HN       LYS  24   9.302   0.305  -0.060
  191    HA   LYS  24           HA       LYS  24  10.941  -0.599  -2.271
  192   1HB   LYS  24          HB2       LYS  24   8.803   0.829  -2.245
  193   2HB   LYS  24          HB1       LYS  24   9.841   2.182  -1.789
  194   1HG   LYS  24          HG2       LYS  24  11.180   1.867  -3.824
  195   2HG   LYS  24          HG1       LYS  24  10.193   0.475  -4.272
  196   1HD   LYS  24          HD2       LYS  24   8.233   2.296  -3.924
  197   2HD   LYS  24          HD1       LYS  24   9.543   3.377  -4.399
  198   1HE   LYS  24          HE2       LYS  24   9.108   0.877  -6.009
  199   2HE   LYS  24          HE1       LYS  24   8.022   2.258  -6.261
  200   1HZ   LYS  24          HZ1       LYS  24   9.950   3.690  -6.538
  201   2HZ   LYS  24          HZ2       LYS  24   9.999   2.421  -7.666
  202   3HZ   LYS  24          HZ3       LYS  24  10.996   2.377  -6.292
  203    H    ALA  25           HN       ALA  25  11.412   1.756   0.350
  204    HA   ALA  25           HA       ALA  25  13.793   3.004  -0.697
  205   1HB   ALA  25          HB1       ALA  25  12.751   2.610   2.129
  206   2HB   ALA  25          HB2       ALA  25  12.377   3.966   1.065
  207   3HB   ALA  25          HB3       ALA  25  14.018   3.751   1.675
  208    H    LYS  26           HN       LYS  26  13.262   0.200   1.445
  209    HA   LYS  26           HA       LYS  26  16.144  -0.282   1.795
  210   1HB   LYS  26          HB2       LYS  26  14.295  -0.685   3.491
  211   2HB   LYS  26          HB1       LYS  26  13.761  -2.029   2.482
  212   1HG   LYS  26          HG2       LYS  26  16.634  -2.133   2.975
  213   2HG   LYS  26          HG1       LYS  26  15.713  -2.140   4.480
  214   1HD   LYS  26          HD2       LYS  26  14.643  -4.138   3.983
  215   2HD   LYS  26          HD1       LYS  26  14.795  -3.907   2.240
  216   1HE   LYS  26          HE2       LYS  26  17.357  -4.168   3.741
  217   2HE   LYS  26          HE1       LYS  26  16.368  -5.636   3.605
  218   1HZ   LYS  26          HZ1       LYS  26  17.865  -5.285   1.675
  219   2HZ   LYS  26          HZ2       LYS  26  17.029  -3.846   1.320
  220   3HZ   LYS  26          HZ3       LYS  26  16.223  -5.342   1.245
  221    H    LEU  27           HN       LEU  27  13.594  -1.312  -0.372
  222    HA   LEU  27           HA       LEU  27  13.653  -2.649  -2.304
  223   1HB   LEU  27          HB2       LEU  27  16.240  -1.610  -1.934
  224   2HB   LEU  27          HB1       LEU  27  16.486  -3.332  -2.222
  225    HG   LEU  27           HG       LEU  27  16.493  -2.149  -4.357
  226   1HD1  LEU  27          HD11      LEU  27  13.781  -3.446  -4.258
  227   2HD1  LEU  27          HD12      LEU  27  15.228  -4.414  -3.975
  228   3HD1  LEU  27          HD13      LEU  27  15.024  -3.560  -5.504
  229   1HD2  LEU  27          HD21      LEU  27  13.638  -1.307  -3.851
  230   2HD2  LEU  27          HD22      LEU  27  14.762  -0.710  -5.071
  231   3HD2  LEU  27          HD23      LEU  27  14.987  -0.273  -3.378
  232    H    MET  28           HN       MET  28  12.682  -4.586  -1.971
  233    HA   MET  28           HA       MET  28  12.428  -6.880  -1.491
  234   1HB   MET  28          HB2       MET  28  15.160  -6.438  -2.037
  235   2HB   MET  28          HB1       MET  28  15.129  -7.425  -0.575
  236   1HG   MET  28          HG2       MET  28  13.593  -8.065  -3.111
  237   2HG   MET  28          HG1       MET  28  15.136  -8.793  -2.666
  238   1HE   MET  28          HE1       MET  28  14.656 -11.267  -0.177
  239   2HE   MET  28          HE2       MET  28  14.916  -9.686   0.556
  240   3HE   MET  28          HE3       MET  28  15.682 -10.072  -0.982
  241    HA   PRO  29           HA       PRO  29  11.817  -6.295   2.913
  242   1HB   PRO  29          HB2       PRO  29  10.094  -8.403   3.228
  243   2HB   PRO  29          HB1       PRO  29   9.595  -6.839   2.555
  244   1HG   PRO  29          HG2       PRO  29  10.257  -9.378   1.151
  245   2HG   PRO  29          HG1       PRO  29   8.982  -8.198   0.809
  246   1HD   PRO  29          HD2       PRO  29  11.300  -8.337  -0.605
  247   2HD   PRO  29          HD1       PRO  29  10.383  -6.831  -0.381
  248    H    GLN  30           HN       GLN  30  11.565  -8.344   4.710
  249    HA   GLN  30           HA       GLN  30  14.222  -9.624   4.624
  250   1HB   GLN  30          HB2       GLN  30  12.247  -8.761   6.564
  251   2HB   GLN  30          HB1       GLN  30  12.719 -10.428   6.888
  252   1HG   GLN  30          HG2       GLN  30  14.921  -8.534   6.241
  253   2HG   GLN  30          HG1       GLN  30  14.127  -8.314   7.801
  254   1HE2  GLN  30          HE21      GLN  30  13.884 -10.469   9.115
  255   2HE2  GLN  30          HE22      GLN  30  15.185 -11.553   9.032
  256    H    LEU  31           HN       LEU  31  13.693 -11.097   2.788
  257    HA   LEU  31           HA       LEU  31  12.268 -13.552   3.736
  258   1HB   LEU  31          HB2       LEU  31  11.207 -11.691   1.986
  259   2HB   LEU  31          HB1       LEU  31  11.916 -12.879   0.890
  260    HG   LEU  31           HG       LEU  31  10.320 -13.894   3.207
  261   1HD1  LEU  31          HD11      LEU  31   8.278 -13.729   1.653
  262   2HD1  LEU  31          HD12      LEU  31   9.197 -12.515   0.763
  263   3HD1  LEU  31          HD13      LEU  31   8.783 -12.243   2.456
  264   1HD2  LEU  31          HD21      LEU  31  10.631 -14.713   0.298
  265   2HD2  LEU  31          HD22      LEU  31   9.719 -15.608   1.513
  266   3HD2  LEU  31          HD23      LEU  31  11.469 -15.441   1.668
  Start of MODEL   27
    1   1H    SER   1           HT1      SER   1 -13.283   7.389   3.133
    2   2H    SER   1           HT2      SER   1 -11.889   6.916   3.982
    3   3H    SER   1           HT3      SER   1 -11.871   8.326   3.034
    4    HA   SER   1           HA       SER   1 -12.056   9.048   5.276
    5   1HB   SER   1          HB2       SER   1 -14.495   9.084   3.517
    6   2HB   SER   1          HB1       SER   1 -14.554   9.873   5.091
    7    HG   SER   1           HG       SER   1 -13.810  11.396   3.699
    8    H    GLY   2           HN       GLY   2 -15.121   7.242   4.714
    9   1HA   GLY   2          HA2       GLY   2 -14.837   5.245   6.650
   10   2HA   GLY   2          HA1       GLY   2 -15.424   6.653   7.533
   11    H    SER   3           HN       SER   3 -16.410   3.941   5.849
   12    HA   SER   3           HA       SER   3 -19.221   4.789   5.905
   13   1HB   SER   3          HB2       SER   3 -18.656   5.770   3.808
   14   2HB   SER   3          HB1       SER   3 -17.638   4.407   3.354
   15    HG   SER   3           HG       SER   3 -19.930   4.636   2.485
   16    H    TRP   4           HN       TRP   4 -17.602   2.367   3.835
   17    HA   TRP   4           HA       TRP   4 -18.238   0.150   5.653
   18   1HB   TRP   4          HB2       TRP   4 -20.240   1.105   4.008
   19   2HB   TRP   4          HB1       TRP   4 -19.552  -0.190   3.033
   20    HD1  TRP   4           HD1      TRP   4 -22.443  -0.313   4.449
   21    HE1  TRP   4           HE1      TRP   4 -22.941  -2.259   6.062
   22    HE3  TRP   4           HE3      TRP   4 -17.673  -1.732   5.648
   23    HZ2  TRP   4           HZ2      TRP   4 -21.519  -4.162   7.647
   24    HZ3  TRP   4           HZ3      TRP   4 -17.283  -3.611   7.208
   25    HH2  TRP   4           HH2      TRP   4 -19.196  -4.828   8.210
   26    H    LEU   5           HN       LEU   5 -18.313  -1.774   3.380
   27    HA   LEU   5           HA       LEU   5 -15.555  -2.340   3.072
   28   1HB   LEU   5          HB2       LEU   5 -16.364  -3.885   1.292
   29   2HB   LEU   5          HB1       LEU   5 -17.360  -3.962   2.743
   30    HG   LEU   5           HG       LEU   5 -18.476  -1.919   1.127
   31   1HD1  LEU   5          HD11      LEU   5 -17.645  -4.384  -0.410
   32   2HD1  LEU   5          HD12      LEU   5 -17.414  -2.693  -0.854
   33   3HD1  LEU   5          HD13      LEU   5 -19.027  -3.406  -0.899
   34   1HD2  LEU   5          HD21      LEU   5 -19.435  -4.779   1.415
   35   2HD2  LEU   5          HD22      LEU   5 -20.420  -3.335   1.180
   36   3HD2  LEU   5          HD23      LEU   5 -19.571  -3.585   2.707
   37    H    ARG   6           HN       ARG   6 -17.626  -0.195   1.182
   38    HA   ARG   6           HA       ARG   6 -15.939   0.045  -1.151
   39   1HB   ARG   6          HB2       ARG   6 -18.267   1.371   0.101
   40   2HB   ARG   6          HB1       ARG   6 -17.282   2.438  -0.898
   41   1HG   ARG   6          HG2       ARG   6 -18.052   1.495  -2.793
   42   2HG   ARG   6          HG1       ARG   6 -17.662  -0.123  -2.209
   43   1HD   ARG   6          HD2       ARG   6 -20.086   0.049  -2.611
   44   2HD   ARG   6          HD1       ARG   6 -19.791  -0.099  -0.868
   45    HE   ARG   6           HE       ARG   6 -20.300   2.242  -0.610
   46   1HH1  ARG   6          HH21      ARG   6 -22.574   1.619  -2.405
   47   2HH1  ARG   6          HH22      ARG   6 -22.416   2.809  -3.653
   48   1HH2  ARG   6          HH11      ARG   6 -19.125   3.590  -2.854
   49   2HH2  ARG   6          HH12      ARG   6 -20.455   3.928  -3.911
   50    H    ASP   7           HN       ASP   7 -15.908   1.505   2.046
   51    HA   ASP   7           HA       ASP   7 -13.751   3.414   1.281
   52   1HB   ASP   7          HB2       ASP   7 -15.916   3.941   2.610
   53   2HB   ASP   7          HB1       ASP   7 -15.138   3.099   3.950
   54    H    ILE   8           HN       ILE   8 -14.411   0.570   3.310
   55    HA   ILE   8           HA       ILE   8 -12.051   0.575   4.899
   56    HB   ILE   8           HB       ILE   8 -14.297  -0.889   4.784
   57   1HG1  ILE   8          HG12      ILE   8 -11.938  -2.395   5.810
   58   2HG1  ILE   8          HG11      ILE   8 -12.193  -0.770   6.441
   59   1HG2  ILE   8          HG21      ILE   8 -13.839  -3.176   4.049
   60   2HG2  ILE   8          HG22      ILE   8 -12.209  -2.717   3.556
   61   3HG2  ILE   8          HG23      ILE   8 -13.605  -2.065   2.700
   62   1HD1  ILE   8          HD11      ILE   8 -14.609  -1.452   6.880
   63   2HD1  ILE   8          HD12      ILE   8 -13.400  -2.239   7.895
   64   3HD1  ILE   8          HD13      ILE   8 -14.110  -3.107   6.533
   65    H    TRP   9           HN       TRP   9 -12.597  -0.667   1.595
   66    HA   TRP   9           HA       TRP   9 -10.035  -1.977   1.336
   67   1HB   TRP   9          HB2       TRP   9 -12.365  -1.376  -0.264
   68   2HB   TRP   9          HB1       TRP   9 -10.914  -0.993  -1.188
   69    HD1  TRP   9           HD1      TRP   9  -8.984  -3.022  -1.170
   70    HE1  TRP   9           HE1      TRP   9  -9.361  -5.562  -1.392
   71    HE3  TRP   9           HE3      TRP   9 -13.917  -3.299   0.123
   72    HZ2  TRP   9           HZ2      TRP   9 -11.475  -7.462  -1.064
   73    HZ3  TRP   9           HZ3      TRP   9 -15.086  -5.484   0.160
   74    HH2  TRP   9           HH2      TRP   9 -13.873  -7.563  -0.431
   75    H    ASP  10           HN       ASP  10 -11.166   1.340   0.781
   76    HA   ASP  10           HA       ASP  10  -8.807   2.360  -0.508
   77   1HB   ASP  10          HB2       ASP  10 -10.826   3.605  -0.652
   78   2HB   ASP  10          HB1       ASP  10 -11.105   3.510   1.086
   79    H    TRP  11           HN       TRP  11  -9.803   2.193   2.930
   80    HA   TRP  11           HA       TRP  11  -7.546   3.604   4.000
   81   1HB   TRP  11          HB2       TRP  11  -8.829   3.330   5.842
   82   2HB   TRP  11          HB1       TRP  11  -9.922   2.342   4.884
   83    HD1  TRP  11           HD1      TRP  11 -10.204  -0.067   5.636
   84    HE1  TRP  11           HE1      TRP  11  -8.965  -1.660   7.235
   85    HE3  TRP  11           HE3      TRP  11  -6.171   2.832   6.823
   86    HZ2  TRP  11           HZ2      TRP  11  -6.585  -1.701   8.815
   87    HZ3  TRP  11           HZ3      TRP  11  -4.437   1.988   8.381
   88    HH2  TRP  11           HH2      TRP  11  -4.639  -0.270   9.377
   89    H    ILE  12           HN       ILE  12  -8.021   0.202   3.100
   90    HA   ILE  12           HA       ILE  12  -5.469  -0.679   4.250
   91    HB   ILE  12           HB       ILE  12  -7.652  -1.850   2.522
   92   1HG1  ILE  12          HG12      ILE  12  -8.081  -1.720   4.917
   93   2HG1  ILE  12          HG11      ILE  12  -7.813  -3.405   4.476
   94   1HG2  ILE  12          HG21      ILE  12  -6.387  -4.043   2.718
   95   2HG2  ILE  12          HG22      ILE  12  -4.978  -3.099   3.206
   96   3HG2  ILE  12          HG23      ILE  12  -5.678  -2.874   1.604
   97   1HD1  ILE  12          HD11      ILE  12  -6.525  -3.029   6.460
   98   2HD1  ILE  12          HD12      ILE  12  -5.869  -1.519   5.828
   99   3HD1  ILE  12          HD13      ILE  12  -5.371  -3.059   5.127
  100    H    CYS  13           HN       CYS  13  -6.413   0.893   1.317
  101    HA   CYS  13           HA       CYS  13  -4.103  -0.154  -0.215
  102   1HB   CYS  13          HB2       CYS  13  -6.536   0.289  -1.024
  103   2HB   CYS  13          HB1       CYS  13  -6.049   1.984  -1.071
  104    HG   CYS  13           HG       CYS  13  -4.461   1.506  -2.978
  105    H    GLU  14           HN       GLU  14  -4.741   2.479   1.906
  106    HA   GLU  14           HA       GLU  14  -2.683   4.205   0.602
  107   1HB   GLU  14          HB2       GLU  14  -5.080   4.885   1.452
  108   2HB   GLU  14          HB1       GLU  14  -4.302   4.919   3.035
  109   1HG   GLU  14          HG2       GLU  14  -2.506   6.393   1.953
  110   2HG   GLU  14          HG1       GLU  14  -3.612   6.557   0.590
  111    H    VAL  15           HN       VAL  15  -3.516   3.065   3.906
  112    HA   VAL  15           HA       VAL  15  -1.099   3.810   5.190
  113    HB   VAL  15           HB       VAL  15  -3.052   1.532   5.663
  114   1HG1  VAL  15          HG11      VAL  15  -0.931   1.103   6.842
  115   2HG1  VAL  15          HG12      VAL  15  -2.199   1.540   7.987
  116   3HG1  VAL  15          HG13      VAL  15  -0.977   2.727   7.529
  117   1HG2  VAL  15          HG21      VAL  15  -4.361   3.374   6.037
  118   2HG2  VAL  15          HG22      VAL  15  -2.974   4.438   6.269
  119   3HG2  VAL  15          HG23      VAL  15  -3.515   3.398   7.585
  120    H    LEU  16           HN       LEU  16  -1.895   0.835   3.383
  121    HA   LEU  16           HA       LEU  16   0.529  -0.594   4.058
  122   1HB   LEU  16          HB2       LEU  16  -1.775  -1.361   3.072
  123   2HB   LEU  16          HB1       LEU  16  -1.051  -0.956   1.515
  124    HG   LEU  16           HG       LEU  16   0.608  -2.598   3.364
  125   1HD1  LEU  16          HD11      LEU  16  -1.713  -3.785   1.813
  126   2HD1  LEU  16          HD12      LEU  16  -1.691  -3.573   3.565
  127   3HD1  LEU  16          HD13      LEU  16  -0.540  -4.665   2.794
  128   1HD2  LEU  16          HD21      LEU  16   0.713  -3.783   0.946
  129   2HD2  LEU  16          HD22      LEU  16   1.684  -2.365   1.343
  130   3HD2  LEU  16          HD23      LEU  16   0.179  -2.179   0.443
  131    H    SER  17           HN       SER  17  -0.410   1.453   1.273
  132    HA   SER  17           HA       SER  17   1.942   1.122  -0.298
  133   1HB   SER  17          HB2       SER  17  -0.225   3.155   0.043
  134   2HB   SER  17          HB1       SER  17   1.196   3.639  -0.878
  135    HG   SER  17           HG       SER  17  -0.770   2.381  -1.851
  136    H    ASP  18           HN       ASP  18   1.223   3.382   2.371
  137    HA   ASP  18           HA       ASP  18   3.659   4.894   2.245
  138   1HB   ASP  18          HB2       ASP  18   1.491   4.298   4.223
  139   2HB   ASP  18          HB1       ASP  18   2.973   5.029   4.842
  140    H    PHE  19           HN       PHE  19   2.783   1.862   3.884
  141    HA   PHE  19           HA       PHE  19   5.322   1.557   5.277
  142   1HB   PHE  19          HB2       PHE  19   2.917   0.580   5.708
  143   2HB   PHE  19          HB1       PHE  19   3.423  -0.675   4.575
  144    HD1  PHE  19           HD1      PHE  19   4.376   1.040   7.751
  145    HD2  PHE  19           HD2      PHE  19   4.884  -2.414   5.248
  146    HE1  PHE  19           HE1      PHE  19   5.660  -0.078   9.554
  147    HE2  PHE  19           HE2      PHE  19   6.165  -3.532   7.052
  148    HZ   PHE  19           HZ       PHE  19   6.554  -2.365   9.205
  149    H    LYS  20           HN       LYS  20   3.935   0.287   2.227
  150    HA   LYS  20           HA       LYS  20   6.137  -1.486   1.613
  151   1HB   LYS  20          HB2       LYS  20   3.718  -1.368   0.692
  152   2HB   LYS  20          HB1       LYS  20   4.326  -0.101  -0.375
  153   1HG   LYS  20          HG2       LYS  20   5.873  -1.577  -1.423
  154   2HG   LYS  20          HG1       LYS  20   5.678  -2.797  -0.165
  155   1HD   LYS  20          HD2       LYS  20   4.256  -3.736  -1.690
  156   2HD   LYS  20          HD1       LYS  20   3.110  -2.590  -0.997
  157   1HE   LYS  20          HE2       LYS  20   2.864  -1.752  -3.097
  158   2HE   LYS  20          HE1       LYS  20   4.509  -1.106  -2.936
  159   1HZ   LYS  20          HZ1       LYS  20   5.382  -3.238  -3.684
  160   2HZ   LYS  20          HZ2       LYS  20   4.346  -2.574  -4.855
  161   3HZ   LYS  20          HZ3       LYS  20   3.807  -3.844  -3.864
  162    H    THR  21           HN       THR  21   5.315   1.821   0.490
  163    HA   THR  21           HA       THR  21   7.624   2.241  -1.147
  164    HB   THR  21           HB       THR  21   5.989   4.225   0.478
  165    HG1  THR  21           HG1      THR  21   4.460   3.497  -0.758
  166   1HG2  THR  21          HG21      THR  21   7.496   4.587  -2.127
  167   2HG2  THR  21          HG22      THR  21   8.086   5.117  -0.552
  168   3HG2  THR  21          HG23      THR  21   6.625   5.834  -1.234
  169    H    TRP  22           HN       TRP  22   7.033   2.889   2.318
  170    HA   TRP  22           HA       TRP  22   9.547   4.169   2.876
  171   1HB   TRP  22          HB2       TRP  22   7.820   4.474   4.447
  172   2HB   TRP  22          HB1       TRP  22   7.379   2.767   4.433
  173    HD1  TRP  22           HD1      TRP  22   9.940   5.198   5.897
  174    HE1  TRP  22           HE1      TRP  22  11.156   4.040   7.855
  175    HE3  TRP  22           HE3      TRP  22   8.069   0.471   5.424
  176    HZ2  TRP  22           HZ2      TRP  22  11.313   1.445   9.058
  177    HZ3  TRP  22           HZ3      TRP  22   8.764  -1.321   6.984
  178    HH2  TRP  22           HH2      TRP  22  10.382  -0.843   8.796
  179    H    LEU  23           HN       LEU  23   8.503   0.751   2.984
  180    HA   LEU  23           HA       LEU  23  10.825  -0.353   4.213
  181   1HB   LEU  23          HB2       LEU  23   8.440  -1.216   2.834
  182   2HB   LEU  23          HB1       LEU  23   9.813  -2.176   2.284
  183    HG   LEU  23           HG       LEU  23   9.732  -1.707   5.199
  184   1HD1  LEU  23          HD11      LEU  23   7.356  -1.991   4.892
  185   2HD1  LEU  23          HD12      LEU  23   8.000  -3.517   5.497
  186   3HD1  LEU  23          HD13      LEU  23   7.609  -3.342   3.786
  187   1HD2  LEU  23          HD21      LEU  23  11.256  -3.248   3.766
  188   2HD2  LEU  23          HD22      LEU  23   9.866  -4.333   3.722
  189   3HD2  LEU  23          HD23      LEU  23  10.599  -3.899   5.267
  190    H    LYS  24           HN       LYS  24  10.082   0.088   0.724
  191    HA   LYS  24           HA       LYS  24  12.641  -0.911  -0.200
  192   1HB   LYS  24          HB2       LYS  24  10.594  -0.829  -1.569
  193   2HB   LYS  24          HB1       LYS  24  10.567   0.930  -1.451
  194   1HG   LYS  24          HG2       LYS  24  13.149  -0.046  -2.398
  195   2HG   LYS  24          HG1       LYS  24  11.829  -0.568  -3.444
  196   1HD   LYS  24          HD2       LYS  24  11.518   1.520  -4.244
  197   2HD   LYS  24          HD1       LYS  24  11.515   2.214  -2.623
  198   1HE   LYS  24          HE2       LYS  24  13.588   3.046  -2.996
  199   2HE   LYS  24          HE1       LYS  24  14.199   1.396  -3.218
  200   1HZ   LYS  24          HZ1       LYS  24  14.535   2.605  -5.247
  201   2HZ   LYS  24          HZ2       LYS  24  12.915   3.113  -5.280
  202   3HZ   LYS  24          HZ3       LYS  24  13.300   1.473  -5.509
  203    H    ALA  25           HN       ALA  25  11.401   2.341   0.596
  204    HA   ALA  25           HA       ALA  25  13.684   3.830  -0.348
  205   1HB   ALA  25          HB1       ALA  25  11.486   4.819   0.101
  206   2HB   ALA  25          HB2       ALA  25  12.691   5.590   1.134
  207   3HB   ALA  25          HB3       ALA  25  11.607   4.371   1.803
  208    H    LYS  26           HN       LYS  26  12.884   2.305   2.769
  209    HA   LYS  26           HA       LYS  26  15.260   3.328   4.140
  210   1HB   LYS  26          HB2       LYS  26  13.057   2.767   5.203
  211   2HB   LYS  26          HB1       LYS  26  13.344   1.069   4.824
  212   1HG   LYS  26          HG2       LYS  26  15.573   2.413   6.230
  213   2HG   LYS  26          HG1       LYS  26  14.090   2.261   7.171
  214   1HD   LYS  26          HD2       LYS  26  14.369  -0.222   5.908
  215   2HD   LYS  26          HD1       LYS  26  16.004   0.202   6.412
  216   1HE   LYS  26          HE2       LYS  26  13.752   0.593   8.366
  217   2HE   LYS  26          HE1       LYS  26  14.400  -1.038   8.111
  218   1HZ   LYS  26          HZ1       LYS  26  15.958   1.397   8.814
  219   2HZ   LYS  26          HZ2       LYS  26  16.650  -0.106   8.422
  220   3HZ   LYS  26          HZ3       LYS  26  15.687   0.052   9.813
  221    H    LEU  27           HN       LEU  27  14.373   0.389   2.369
  222    HA   LEU  27           HA       LEU  27  16.927  -0.938   3.111
  223   1HB   LEU  27          HB2       LEU  27  14.468  -1.778   1.543
  224   2HB   LEU  27          HB1       LEU  27  15.842  -2.838   1.861
  225    HG   LEU  27           HG       LEU  27  14.090  -1.521   3.956
  226   1HD1  LEU  27          HD11      LEU  27  13.291  -3.747   4.406
  227   2HD1  LEU  27          HD12      LEU  27  14.470  -4.450   3.298
  228   3HD1  LEU  27          HD13      LEU  27  13.140  -3.477   2.669
  229   1HD2  LEU  27          HD21      LEU  27  16.309  -1.667   4.853
  230   2HD2  LEU  27          HD22      LEU  27  16.562  -3.263   4.144
  231   3HD2  LEU  27          HD23      LEU  27  15.438  -3.062   5.487
  232    H    MET  28           HN       MET  28  16.823  -2.358   0.407
  233    HA   MET  28           HA       MET  28  17.261  -0.409  -1.673
  234   1HB   MET  28          HB2       MET  28  19.181   0.237  -0.402
  235   2HB   MET  28          HB1       MET  28  19.626  -1.435  -0.080
  236   1HG   MET  28          HG2       MET  28  20.342  -1.790  -2.315
  237   2HG   MET  28          HG1       MET  28  19.515  -0.344  -2.895
  238   1HE   MET  28          HE1       MET  28  22.077   0.093  -4.124
  239   2HE   MET  28          HE2       MET  28  22.417  -1.436  -3.317
  240   3HE   MET  28          HE3       MET  28  23.531  -0.084  -3.131
  241    HA   PRO  29           HA       PRO  29  18.769  -4.658  -3.279
  242   1HB   PRO  29          HB2       PRO  29  19.048  -6.734  -1.514
  243   2HB   PRO  29          HB1       PRO  29  20.364  -5.607  -1.898
  244   1HG   PRO  29          HG2       PRO  29  18.550  -5.664   0.461
  245   2HG   PRO  29          HG1       PRO  29  20.281  -5.304   0.377
  246   1HD   PRO  29          HD2       PRO  29  18.370  -3.385   0.596
  247   2HD   PRO  29          HD1       PRO  29  19.936  -3.119  -0.199
  248    H    GLN  30           HN       GLN  30  16.415  -4.249  -3.799
  249    HA   GLN  30           HA       GLN  30  14.801  -6.639  -3.247
  250   1HB   GLN  30          HB2       GLN  30  14.680  -4.705  -1.369
  251   2HB   GLN  30          HB1       GLN  30  13.481  -4.069  -2.493
  252   1HG   GLN  30          HG2       GLN  30  13.335  -6.975  -1.816
  253   2HG   GLN  30          HG1       GLN  30  12.818  -5.822  -0.585
  254   1HE2  GLN  30          HE21      GLN  30  11.298  -3.989  -1.596
  255   2HE2  GLN  30          HE22      GLN  30  10.106  -4.554  -2.665
  256    H    LEU  31           HN       LEU  31  15.630  -6.007  -5.703
  257    HA   LEU  31           HA       LEU  31  13.176  -5.075  -7.086
  258   1HB   LEU  31          HB2       LEU  31  14.843  -3.161  -6.517
  259   2HB   LEU  31          HB1       LEU  31  15.864  -3.874  -7.765
  260    HG   LEU  31           HG       LEU  31  13.597  -3.806  -9.163
  261   1HD1  LEU  31          HD11      LEU  31  13.293  -1.612  -7.091
  262   2HD1  LEU  31          HD12      LEU  31  12.183  -2.951  -7.388
  263   3HD1  LEU  31          HD13      LEU  31  12.377  -1.680  -8.597
  264   1HD2  LEU  31          HD21      LEU  31  14.304  -1.360  -9.776
  265   2HD2  LEU  31          HD22      LEU  31  15.453  -2.670 -10.047
  266   3HD2  LEU  31          HD23      LEU  31  15.615  -1.634  -8.629
  Start of MODEL   28
    1   1H    SER   1           HT1      SER   1 -23.126  -2.789  -0.933
    2   2H    SER   1           HT2      SER   1 -24.479  -2.019  -1.614
    3   3H    SER   1           HT3      SER   1 -24.593  -3.628  -1.085
    4    HA   SER   1           HA       SER   1 -24.233  -1.210   0.617
    5   1HB   SER   1          HB2       SER   1 -26.442  -3.276   0.345
    6   2HB   SER   1          HB1       SER   1 -26.475  -1.859   1.390
    7    HG   SER   1           HG       SER   1 -27.514  -1.277  -0.461
    8    H    GLY   2           HN       GLY   2 -24.945  -4.739   0.804
    9   1HA   GLY   2          HA2       GLY   2 -23.780  -4.857   3.500
   10   2HA   GLY   2          HA1       GLY   2 -24.518  -6.202   2.629
   11    H    SER   3           HN       SER   3 -21.918  -6.119   4.045
   12    HA   SER   3           HA       SER   3 -19.719  -6.910   3.729
   13   1HB   SER   3          HB2       SER   3 -21.479  -8.330   2.132
   14   2HB   SER   3          HB1       SER   3 -20.228  -7.850   0.989
   15    HG   SER   3           HG       SER   3 -18.727  -8.894   2.192
   16    H    TRP   4           HN       TRP   4 -20.101  -4.175   3.087
   17    HA   TRP   4           HA       TRP   4 -18.938  -3.572   0.484
   18   1HB   TRP   4          HB2       TRP   4 -19.030  -1.249   1.304
   19   2HB   TRP   4          HB1       TRP   4 -20.540  -2.085   1.628
   20    HD1  TRP   4           HD1      TRP   4 -21.048  -2.763   4.192
   21    HE1  TRP   4           HE1      TRP   4 -20.181  -1.765   6.406
   22    HE3  TRP   4           HE3      TRP   4 -17.020  -0.147   2.466
   23    HZ2  TRP   4           HZ2      TRP   4 -18.066  -0.072   7.322
   24    HZ3  TRP   4           HZ3      TRP   4 -15.602   1.155   4.027
   25    HH2  TRP   4           HH2      TRP   4 -16.119   1.195   6.451
   26    H    LEU   5           HN       LEU   5 -16.839  -3.841   0.038
   27    HA   LEU   5           HA       LEU   5 -14.818  -3.470   2.228
   28   1HB   LEU   5          HB2       LEU   5 -15.496  -5.782   0.949
   29   2HB   LEU   5          HB1       LEU   5 -14.197  -5.206  -0.094
   30    HG   LEU   5           HG       LEU   5 -12.772  -4.914   1.961
   31   1HD1  LEU   5          HD11      LEU   5 -14.361  -6.771   3.563
   32   2HD1  LEU   5          HD12      LEU   5 -15.202  -5.245   3.290
   33   3HD1  LEU   5          HD13      LEU   5 -13.603  -5.250   4.036
   34   1HD2  LEU   5          HD21      LEU   5 -12.260  -7.290   2.165
   35   2HD2  LEU   5          HD22      LEU   5 -12.681  -6.937   0.489
   36   3HD2  LEU   5          HD23      LEU   5 -13.856  -7.718   1.547
   37    H    ARG   6           HN       ARG   6 -15.669  -2.791  -1.139
   38    HA   ARG   6           HA       ARG   6 -13.139  -1.869  -2.090
   39   1HB   ARG   6          HB2       ARG   6 -16.028  -1.517  -2.741
   40   2HB   ARG   6          HB1       ARG   6 -14.918  -0.332  -3.428
   41   1HG   ARG   6          HG2       ARG   6 -14.582  -1.868  -5.064
   42   2HG   ARG   6          HG1       ARG   6 -13.575  -2.695  -3.875
   43   1HD   ARG   6          HD2       ARG   6 -15.006  -4.450  -3.891
   44   2HD   ARG   6          HD1       ARG   6 -16.326  -3.384  -3.370
   45    HE   ARG   6           HE       ARG   6 -15.560  -3.844  -6.229
   46   1HH1  ARG   6          HH11      ARG   6 -17.006  -1.254  -5.340
   47   2HH1  ARG   6          HH12      ARG   6 -18.645  -1.663  -5.720
   48   1HH2  ARG   6          HH21      ARG   6 -17.993  -5.063  -6.055
   49   2HH2  ARG   6          HH22      ARG   6 -19.206  -3.829  -6.130
   50    H    ASP   7           HN       ASP   7 -15.645  -0.272  -0.148
   51    HA   ASP   7           HA       ASP   7 -14.378   2.366  -0.257
   52   1HB   ASP   7          HB2       ASP   7 -16.830   1.912   0.000
   53   2HB   ASP   7          HB1       ASP   7 -16.501   1.227   1.590
   54    H    ILE   8           HN       ILE   8 -14.516  -0.335   2.095
   55    HA   ILE   8           HA       ILE   8 -13.056   1.071   4.170
   56    HB   ILE   8           HB       ILE   8 -14.628  -1.045   4.208
   57   1HG1  ILE   8          HG12      ILE   8 -12.162  -1.252   5.923
   58   2HG1  ILE   8          HG11      ILE   8 -13.238   0.135   6.079
   59   1HG2  ILE   8          HG21      ILE   8 -11.906  -2.354   3.926
   60   2HG2  ILE   8          HG22      ILE   8 -13.156  -2.379   2.684
   61   3HG2  ILE   8          HG23      ILE   8 -13.439  -3.169   4.233
   62   1HD1  ILE   8          HD11      ILE   8 -13.984  -1.505   7.674
   63   2HD1  ILE   8          HD12      ILE   8 -13.947  -2.784   6.461
   64   3HD1  ILE   8          HD13      ILE   8 -15.154  -1.502   6.356
   65    H    TRP   9           HN       TRP   9 -12.093  -0.808   1.356
   66    HA   TRP   9           HA       TRP   9  -9.438  -1.514   2.106
   67   1HB   TRP   9          HB2       TRP   9 -10.986  -1.063  -0.406
   68   2HB   TRP   9          HB1       TRP   9  -9.232  -1.125  -0.555
   69    HD1  TRP   9           HD1      TRP   9 -10.930  -3.209   2.129
   70    HE1  TRP   9           HE1      TRP   9 -10.701  -5.703   1.528
   71    HE3  TRP   9           HE3      TRP   9  -9.016  -2.809  -2.589
   72    HZ2  TRP   9           HZ2      TRP   9  -9.824  -7.318  -0.662
   73    HZ3  TRP   9           HZ3      TRP   9  -8.493  -4.841  -3.909
   74    HH2  TRP   9           HH2      TRP   9  -8.894  -7.093  -2.952
   75    H    ASP  10           HN       ASP  10 -10.738   1.509   0.725
   76    HA   ASP  10           HA       ASP  10  -8.331   2.866   0.125
   77   1HB   ASP  10          HB2       ASP  10 -10.581   3.663  -0.434
   78   2HB   ASP  10          HB1       ASP  10 -10.957   3.868   1.277
   79    H    TRP  11           HN       TRP  11 -10.018   2.522   3.253
   80    HA   TRP  11           HA       TRP  11  -8.427   4.290   4.819
   81   1HB   TRP  11          HB2       TRP  11 -10.272   3.555   5.976
   82   2HB   TRP  11          HB1       TRP  11 -10.270   1.991   5.177
   83    HD1  TRP  11           HD1      TRP  11  -7.365   3.399   7.276
   84    HE1  TRP  11           HE1      TRP  11  -6.968   1.831   9.280
   85    HE3  TRP  11           HE3      TRP  11 -11.262   0.184   6.643
   86    HZ2  TRP  11           HZ2      TRP  11  -8.154  -0.492  10.458
   87    HZ3  TRP  11           HZ3      TRP  11 -11.611  -1.700   8.214
   88    HH2  TRP  11           HH2      TRP  11 -10.064  -2.041  10.121
   89    H    ILE  12           HN       ILE  12  -8.028   0.766   4.248
   90    HA   ILE  12           HA       ILE  12  -5.454   0.667   5.637
   91    HB   ILE  12           HB       ILE  12  -6.758  -1.275   3.704
   92   1HG1  ILE  12          HG12      ILE  12  -7.030  -1.987   6.489
   93   2HG1  ILE  12          HG11      ILE  12  -7.706  -0.380   6.220
   94   1HG2  ILE  12          HG21      ILE  12  -5.466  -2.886   5.324
   95   2HG2  ILE  12          HG22      ILE  12  -4.504  -1.452   5.685
   96   3HG2  ILE  12          HG23      ILE  12  -4.583  -2.068   4.034
   97   1HD1  ILE  12          HD11      ILE  12  -9.497  -1.862   5.750
   98   2HD1  ILE  12          HD12      ILE  12  -8.451  -2.971   4.863
   99   3HD1  ILE  12          HD13      ILE  12  -8.870  -1.407   4.166
  100    H    CYS  13           HN       CYS  13  -6.530   1.194   2.320
  101    HA   CYS  13           HA       CYS  13  -4.178   0.553   0.877
  102   1HB   CYS  13          HB2       CYS  13  -6.447   1.161  -0.017
  103   2HB   CYS  13          HB1       CYS  13  -6.119   2.842   0.408
  104    HG   CYS  13           HG       CYS  13  -4.186   2.870  -1.345
  105    H    GLU  14           HN       GLU  14  -5.085   3.592   2.543
  106    HA   GLU  14           HA       GLU  14  -2.792   5.132   1.761
  107   1HB   GLU  14          HB2       GLU  14  -5.017   5.839   2.848
  108   2HB   GLU  14          HB1       GLU  14  -4.309   5.323   4.379
  109   1HG   GLU  14          HG2       GLU  14  -3.272   7.314   4.538
  110   2HG   GLU  14          HG1       GLU  14  -2.357   6.926   3.082
  111    H    VAL  15           HN       VAL  15  -3.431   3.164   4.685
  112    HA   VAL  15           HA       VAL  15  -0.854   3.572   5.911
  113    HB   VAL  15           HB       VAL  15  -2.784   1.231   6.143
  114   1HG1  VAL  15          HG11      VAL  15  -0.693   0.750   7.245
  115   2HG1  VAL  15          HG12      VAL  15  -1.855   1.188   8.496
  116   3HG1  VAL  15          HG13      VAL  15  -0.643   2.356   7.970
  117   1HG2  VAL  15          HG21      VAL  15  -3.051   4.041   6.883
  118   2HG2  VAL  15          HG22      VAL  15  -3.159   2.989   8.295
  119   3HG2  VAL  15          HG23      VAL  15  -4.256   2.756   6.935
  120    H    LEU  16           HN       LEU  16  -2.103   1.179   3.596
  121    HA   LEU  16           HA       LEU  16   0.183  -0.588   3.643
  122   1HB   LEU  16          HB2       LEU  16  -2.276  -0.820   2.721
  123   2HB   LEU  16          HB1       LEU  16  -1.586  -0.141   1.246
  124    HG   LEU  16           HG       LEU  16   0.221  -1.955   1.444
  125   1HD1  LEU  16          HD11      LEU  16  -1.861  -3.094   3.340
  126   2HD1  LEU  16          HD12      LEU  16  -0.240  -2.563   3.793
  127   3HD1  LEU  16          HD13      LEU  16  -0.448  -3.957   2.734
  128   1HD2  LEU  16          HD21      LEU  16  -1.195  -3.604   0.334
  129   2HD2  LEU  16          HD22      LEU  16  -1.690  -1.991  -0.175
  130   3HD2  LEU  16          HD23      LEU  16  -2.643  -2.870   1.020
  131    H    SER  17           HN       SER  17  -0.720   2.191   1.574
  132    HA   SER  17           HA       SER  17   1.477   2.070  -0.246
  133   1HB   SER  17          HB2       SER  17  -0.410   4.155   0.800
  134   2HB   SER  17          HB1       SER  17   0.951   4.679  -0.186
  135    HG   SER  17           HG       SER  17  -0.060   3.932  -1.863
  136    H    ASP  18           HN       ASP  18   1.145   3.632   2.942
  137    HA   ASP  18           HA       ASP  18   3.657   4.979   3.047
  138   1HB   ASP  18          HB2       ASP  18   1.553   3.994   4.886
  139   2HB   ASP  18          HB1       ASP  18   3.139   4.197   5.629
  140    H    PHE  19           HN       PHE  19   2.732   1.644   3.907
  141    HA   PHE  19           HA       PHE  19   5.321   0.828   4.895
  142   1HB   PHE  19          HB2       PHE  19   2.895  -0.176   5.109
  143   2HB   PHE  19          HB1       PHE  19   3.310  -1.014   3.613
  144    HD1  PHE  19           HD1      PHE  19   4.893  -2.819   3.586
  145    HD2  PHE  19           HD2      PHE  19   4.285  -0.518   7.163
  146    HE1  PHE  19           HE1      PHE  19   6.199  -4.484   4.881
  147    HE2  PHE  19           HE2      PHE  19   5.591  -2.183   8.455
  148    HZ   PHE  19           HZ       PHE  19   6.548  -4.166   7.314
  149    H    LYS  20           HN       LYS  20   3.769   0.743   1.682
  150    HA   LYS  20           HA       LYS  20   5.721  -0.852   0.321
  151   1HB   LYS  20          HB2       LYS  20   3.377  -0.044  -0.385
  152   2HB   LYS  20          HB1       LYS  20   4.163   1.470  -0.840
  153   1HG   LYS  20          HG2       LYS  20   5.788   0.025  -2.212
  154   2HG   LYS  20          HG1       LYS  20   4.636  -1.290  -1.978
  155   1HD   LYS  20          HD2       LYS  20   3.059  -0.341  -3.344
  156   2HD   LYS  20          HD1       LYS  20   3.509   1.305  -2.894
  157   1HE   LYS  20          HE2       LYS  20   5.663   0.955  -4.225
  158   2HE   LYS  20          HE1       LYS  20   4.916  -0.523  -4.862
  159   1HZ   LYS  20          HZ1       LYS  20   3.833   2.241  -5.021
  160   2HZ   LYS  20          HZ2       LYS  20   2.949   0.852  -5.448
  161   3HZ   LYS  20          HZ3       LYS  20   4.348   1.273  -6.316
  162    H    THR  21           HN       THR  21   5.501   2.672   0.871
  163    HA   THR  21           HA       THR  21   7.843   3.410  -0.640
  164    HB   THR  21           HB       THR  21   6.464   4.694   1.747
  165    HG1  THR  21           HG1      THR  21   6.131   5.462  -0.930
  166   1HG2  THR  21          HG21      THR  21   8.136   6.035  -0.391
  167   2HG2  THR  21          HG22      THR  21   8.788   5.549   1.173
  168   3HG2  THR  21          HG23      THR  21   7.503   6.753   1.091
  169    H    TRP  22           HN       TRP  22   7.316   2.542   2.778
  170    HA   TRP  22           HA       TRP  22   9.988   3.055   3.712
  171   1HB   TRP  22          HB2       TRP  22   8.188   2.858   5.274
  172   2HB   TRP  22          HB1       TRP  22   7.664   1.320   4.592
  173    HD1  TRP  22           HD1      TRP  22  10.407   2.849   6.787
  174    HE1  TRP  22           HE1      TRP  22  11.542   0.957   8.122
  175    HE3  TRP  22           HE3      TRP  22   8.161  -1.207   4.650
  176    HZ2  TRP  22           HZ2      TRP  22  11.503  -1.903   8.260
  177    HZ3  TRP  22           HZ3      TRP  22   8.726  -3.499   5.399
  178    HH2  TRP  22           HH2      TRP  22  10.392  -3.853   7.195
  179    H    LEU  23           HN       LEU  23   8.381   0.057   2.564
  180    HA   LEU  23           HA       LEU  23  10.690  -1.648   2.842
  181   1HB   LEU  23          HB2       LEU  23   7.964  -1.787   1.994
  182   2HB   LEU  23          HB1       LEU  23   8.956  -2.503   0.722
  183    HG   LEU  23           HG       LEU  23   9.419  -3.213   3.612
  184   1HD1  LEU  23          HD11      LEU  23   7.840  -4.987   3.494
  185   2HD1  LEU  23          HD12      LEU  23   7.601  -4.758   1.762
  186   3HD1  LEU  23          HD13      LEU  23   6.983  -3.564   2.903
  187   1HD2  LEU  23          HD21      LEU  23   9.828  -4.735   1.020
  188   2HD2  LEU  23          HD22      LEU  23  10.355  -5.242   2.625
  189   3HD2  LEU  23          HD23      LEU  23  11.088  -3.832   1.861
  190    H    LYS  24           HN       LYS  24   9.358   0.169   0.053
  191    HA   LYS  24           HA       LYS  24  11.260  -0.691  -1.900
  192   1HB   LYS  24          HB2       LYS  24   9.063   0.596  -2.164
  193   2HB   LYS  24          HB1       LYS  24   9.961   2.040  -1.694
  194   1HG   LYS  24          HG2       LYS  24  11.564   0.831  -3.645
  195   2HG   LYS  24          HG1       LYS  24   9.918   0.650  -4.255
  196   1HD   LYS  24          HD2       LYS  24  10.587   3.303  -3.103
  197   2HD   LYS  24          HD1       LYS  24  11.392   2.895  -4.618
  198   1HE   LYS  24          HE2       LYS  24   9.093   2.260  -5.536
  199   2HE   LYS  24          HE1       LYS  24   8.409   3.025  -4.088
  200   1HZ   LYS  24          HZ1       LYS  24  10.092   4.260  -6.190
  201   2HZ   LYS  24          HZ2       LYS  24   9.916   4.972  -4.657
  202   3HZ   LYS  24          HZ3       LYS  24   8.559   4.747  -5.653
  203    H    ALA  25           HN       ALA  25  11.354   1.948   0.491
  204    HA   ALA  25           HA       ALA  25  13.873   3.067  -0.450
  205   1HB   ALA  25          HB1       ALA  25  13.686   4.265   1.783
  206   2HB   ALA  25          HB2       ALA  25  12.235   3.308   2.090
  207   3HB   ALA  25          HB3       ALA  25  12.277   4.438   0.736
  208    H    LYS  26           HN       LYS  26  12.917   0.715   2.043
  209    HA   LYS  26           HA       LYS  26  15.620   0.477   3.153
  210   1HB   LYS  26          HB2       LYS  26  12.940  -0.850   3.498
  211   2HB   LYS  26          HB1       LYS  26  14.372  -1.570   4.230
  212   1HG   LYS  26          HG2       LYS  26  14.083   1.347   4.646
  213   2HG   LYS  26          HG1       LYS  26  12.863   0.352   5.440
  214   1HD   LYS  26          HD2       LYS  26  15.741  -0.466   5.647
  215   2HD   LYS  26          HD1       LYS  26  15.166   0.868   6.647
  216   1HE   LYS  26          HE2       LYS  26  13.758  -0.492   7.897
  217   2HE   LYS  26          HE1       LYS  26  13.519  -1.641   6.566
  218   1HZ   LYS  26          HZ1       LYS  26  15.908  -2.227   6.784
  219   2HZ   LYS  26          HZ2       LYS  26  14.989  -2.638   8.150
  220   3HZ   LYS  26          HZ3       LYS  26  15.988  -1.266   8.180
  221    H    LEU  27           HN       LEU  27  14.155  -0.726   0.318
  222    HA   LEU  27           HA       LEU  27  15.803  -3.216   0.321
  223   1HB   LEU  27          HB2       LEU  27  13.344  -3.287  -0.137
  224   2HB   LEU  27          HB1       LEU  27  13.609  -2.266  -1.550
  225    HG   LEU  27           HG       LEU  27  15.466  -4.452  -1.651
  226   1HD1  LEU  27          HD11      LEU  27  12.564  -5.298  -1.391
  227   2HD1  LEU  27          HD12      LEU  27  13.804  -5.588  -0.170
  228   3HD1  LEU  27          HD13      LEU  27  13.935  -6.346  -1.757
  229   1HD2  LEU  27          HD21      LEU  27  12.987  -4.099  -3.344
  230   2HD2  LEU  27          HD22      LEU  27  14.565  -4.719  -3.829
  231   3HD2  LEU  27          HD23      LEU  27  14.360  -3.002  -3.485
  232    H    MET  28           HN       MET  28  15.108  -0.343  -1.739
  233    HA   MET  28           HA       MET  28  17.398  -1.051  -3.484
  234   1HB   MET  28          HB2       MET  28  15.002   0.704  -3.570
  235   2HB   MET  28          HB1       MET  28  16.410   1.285  -4.460
  236   1HG   MET  28          HG2       MET  28  16.549  -0.890  -5.638
  237   2HG   MET  28          HG1       MET  28  15.116  -1.441  -4.768
  238   1HE   MET  28          HE1       MET  28  15.114   0.127  -8.743
  239   2HE   MET  28          HE2       MET  28  16.135  -0.953  -7.797
  240   3HE   MET  28          HE3       MET  28  16.449   0.780  -7.784
  241    HA   PRO  29           HA       PRO  29  19.133   3.052  -1.956
  242   1HB   PRO  29          HB2       PRO  29  17.613   4.804  -0.513
  243   2HB   PRO  29          HB1       PRO  29  17.613   4.761  -2.285
  244   1HG   PRO  29          HG2       PRO  29  15.606   3.740  -0.372
  245   2HG   PRO  29          HG1       PRO  29  15.388   4.398  -1.998
  246   1HD   PRO  29          HD2       PRO  29  15.347   1.700  -1.322
  247   2HD   PRO  29          HD1       PRO  29  15.559   2.359  -2.956
  248    H    GLN  30           HN       GLN  30  19.360   0.789  -0.490
  249    HA   GLN  30           HA       GLN  30  19.879   1.781   2.243
  250   1HB   GLN  30          HB2       GLN  30  17.520   1.058   2.275
  251   2HB   GLN  30          HB1       GLN  30  17.981  -0.510   1.616
  252   1HG   GLN  30          HG2       GLN  30  17.681  -0.649   4.058
  253   2HG   GLN  30          HG1       GLN  30  19.364  -0.944   3.621
  254   1HE2  GLN  30          HE21      GLN  30  17.162   1.498   5.011
  255   2HE2  GLN  30          HE22      GLN  30  18.388   2.438   5.715
  256    H    LEU  31           HN       LEU  31  22.082   1.267   1.992
  257    HA   LEU  31           HA       LEU  31  22.793  -1.584   2.135
  258   1HB   LEU  31          HB2       LEU  31  22.457  -0.980  -0.312
  259   2HB   LEU  31          HB1       LEU  31  23.816   0.132  -0.148
  260    HG   LEU  31           HG       LEU  31  25.051  -1.978   0.835
  261   1HD1  LEU  31          HD11      LEU  31  24.265  -4.086   0.054
  262   2HD1  LEU  31          HD12      LEU  31  23.085  -3.333  -1.021
  263   3HD1  LEU  31          HD13      LEU  31  22.842  -3.287   0.726
  264   1HD2  LEU  31          HD21      LEU  31  25.752  -2.581  -1.489
  265   2HD2  LEU  31          HD22      LEU  31  25.728  -0.838  -1.218
  266   3HD2  LEU  31          HD23      LEU  31  24.418  -1.610  -2.111
  Start of MODEL   29
    1   1H    SER   1           HT1      SER   1 -23.443  -3.472   9.897
    2   2H    SER   1           HT2      SER   1 -23.099  -2.475  11.230
    3   3H    SER   1           HT3      SER   1 -21.840  -3.028  10.231
    4    HA   SER   1           HA       SER   1 -24.025  -1.206   9.340
    5   1HB   SER   1          HB2       SER   1 -21.138  -0.716  10.144
    6   2HB   SER   1          HB1       SER   1 -22.226   0.504   9.491
    7    HG   SER   1           HG       SER   1 -22.646   0.761  11.556
    8    H    GLY   2           HN       GLY   2 -23.320  -0.141   7.246
    9   1HA   GLY   2          HA2       GLY   2 -21.185  -1.197   5.647
   10   2HA   GLY   2          HA1       GLY   2 -22.689  -2.022   5.232
   11    H    SER   3           HN       SER   3 -21.201   1.200   5.473
   12    HA   SER   3           HA       SER   3 -23.389   2.420   3.893
   13   1HB   SER   3          HB2       SER   3 -20.801   3.505   5.054
   14   2HB   SER   3          HB1       SER   3 -22.080   4.485   4.340
   15    HG   SER   3           HG       SER   3 -22.943   4.434   6.251
   16    H    TRP   4           HN       TRP   4 -19.844   1.947   3.571
   17    HA   TRP   4           HA       TRP   4 -20.168   1.793   0.622
   18   1HB   TRP   4          HB2       TRP   4 -17.898   3.388   0.938
   19   2HB   TRP   4          HB1       TRP   4 -19.474   3.939   0.394
   20    HD1  TRP   4           HD1      TRP   4 -20.439   5.849   1.738
   21    HE1  TRP   4           HE1      TRP   4 -20.139   6.786   4.119
   22    HE3  TRP   4           HE3      TRP   4 -17.165   2.416   3.637
   23    HZ2  TRP   4           HZ2      TRP   4 -18.704   6.164   6.511
   24    HZ3  TRP   4           HZ3      TRP   4 -16.352   2.615   5.967
   25    HH2  TRP   4           HH2      TRP   4 -17.114   4.483   7.405
   26    H    LEU   5           HN       LEU   5 -18.168   0.963  -0.419
   27    HA   LEU   5           HA       LEU   5 -16.435  -0.588   1.478
   28   1HB   LEU   5          HB2       LEU   5 -16.578  -2.428  -0.233
   29   2HB   LEU   5          HB1       LEU   5 -18.119  -2.043   0.530
   30    HG   LEU   5           HG       LEU   5 -17.709  -0.379  -1.812
   31   1HD1  LEU   5          HD11      LEU   5 -16.381  -2.110  -2.771
   32   2HD1  LEU   5          HD12      LEU   5 -18.000  -2.333  -3.436
   33   3HD1  LEU   5          HD13      LEU   5 -17.432  -3.373  -2.129
   34   1HD2  LEU   5          HD21      LEU   5 -19.881  -0.795  -0.757
   35   2HD2  LEU   5          HD22      LEU   5 -19.729  -2.523  -1.078
   36   3HD2  LEU   5          HD23      LEU   5 -19.906  -1.389  -2.417
   37    H    ARG   6           HN       ARG   6 -16.584   1.336  -1.458
   38    HA   ARG   6           HA       ARG   6 -14.042   0.583  -2.585
   39   1HB   ARG   6          HB2       ARG   6 -16.106   1.927  -3.503
   40   2HB   ARG   6          HB1       ARG   6 -15.270   3.322  -2.819
   41   1HG   ARG   6          HG2       ARG   6 -13.277   2.823  -4.144
   42   2HG   ARG   6          HG1       ARG   6 -14.032   1.359  -4.773
   43   1HD   ARG   6          HD2       ARG   6 -15.732   3.711  -5.169
   44   2HD   ARG   6          HD1       ARG   6 -14.157   3.871  -5.970
   45    HE   ARG   6           HE       ARG   6 -14.594   1.722  -7.110
   46   1HH1  ARG   6          HH11      ARG   6 -16.609   0.552  -5.260
   47   2HH1  ARG   6          HH12      ARG   6 -18.095   0.797  -6.116
   48   1HH2  ARG   6          HH21      ARG   6 -16.763   3.177  -8.271
   49   2HH2  ARG   6          HH22      ARG   6 -18.183   2.289  -7.828
   50    H    ASP   7           HN       ASP   7 -14.892   2.591   0.142
   51    HA   ASP   7           HA       ASP   7 -12.151   3.790   0.189
   52   1HB   ASP   7          HB2       ASP   7 -13.155   5.503   1.559
   53   2HB   ASP   7          HB1       ASP   7 -14.254   5.212   0.212
   54    H    ILE   8           HN       ILE   8 -14.389   1.742   2.053
   55    HA   ILE   8           HA       ILE   8 -13.011   1.749   4.548
   56    HB   ILE   8           HB       ILE   8 -15.315   0.835   3.956
   57   1HG1  ILE   8          HG12      ILE   8 -14.619  -1.401   5.421
   58   2HG1  ILE   8          HG11      ILE   8 -13.297  -0.287   5.772
   59   1HG2  ILE   8          HG21      ILE   8 -15.551  -1.329   3.034
   60   2HG2  ILE   8          HG22      ILE   8 -13.846  -1.713   3.274
   61   3HG2  ILE   8          HG23      ILE   8 -14.326  -0.568   2.022
   62   1HD1  ILE   8          HD11      ILE   8 -16.230   0.447   5.982
   63   2HD1  ILE   8          HD12      ILE   8 -14.853   1.426   6.490
   64   3HD1  ILE   8          HD13      ILE   8 -15.240  -0.065   7.348
   65    H    TRP   9           HN       TRP   9 -12.420  -0.131   1.583
   66    HA   TRP   9           HA       TRP   9 -10.359  -1.807   2.834
   67   1HB   TRP   9          HB2       TRP   9 -11.245  -1.280  -0.024
   68   2HB   TRP   9          HB1       TRP   9 -10.013  -2.464   0.408
   69    HD1  TRP   9           HD1      TRP   9 -11.479  -3.507   3.094
   70    HE1  TRP   9           HE1      TRP   9 -13.534  -5.046   2.851
   71    HE3  TRP   9           HE3      TRP   9 -12.858  -2.393  -1.698
   72    HZ2  TRP   9           HZ2      TRP   9 -15.501  -5.716   0.886
   73    HZ3  TRP   9           HZ3      TRP   9 -14.821  -3.496  -2.728
   74    HH2  TRP   9           HH2      TRP   9 -16.144  -5.154  -1.444
   75    H    ASP  10           HN       ASP  10 -10.503   1.175   0.920
   76    HA   ASP  10           HA       ASP  10  -7.729   1.432   0.271
   77   1HB   ASP  10          HB2       ASP  10  -9.845   2.734  -0.499
   78   2HB   ASP  10          HB1       ASP  10  -9.590   3.717   0.945
   79    H    TRP  11           HN       TRP  11  -9.593   2.389   3.156
   80    HA   TRP  11           HA       TRP  11  -7.623   3.910   4.512
   81   1HB   TRP  11          HB2       TRP  11  -9.498   4.026   5.780
   82   2HB   TRP  11          HB1       TRP  11 -10.162   2.599   5.000
   83    HD1  TRP  11           HD1      TRP  11 -10.577   0.651   6.545
   84    HE1  TRP  11           HE1      TRP  11  -9.680  -0.133   8.829
   85    HE3  TRP  11           HE3      TRP  11  -7.014   4.218   7.374
   86    HZ2  TRP  11           HZ2      TRP  11  -7.717   0.644  10.754
   87    HZ3  TRP  11           HZ3      TRP  11  -5.647   4.167   9.440
   88    HH2  TRP  11           HH2      TRP  11  -5.994   2.389  11.130
   89    H    ILE  12           HN       ILE  12  -7.990   0.384   4.232
   90    HA   ILE  12           HA       ILE  12  -5.691  -0.065   6.063
   91    HB   ILE  12           HB       ILE  12  -7.827  -1.726   4.732
   92   1HG1  ILE  12          HG12      ILE  12  -8.404  -0.834   6.883
   93   2HG1  ILE  12          HG11      ILE  12  -8.028  -2.536   7.137
   94   1HG2  ILE  12          HG21      ILE  12  -5.938  -3.114   4.313
   95   2HG2  ILE  12          HG22      ILE  12  -6.642  -3.737   5.805
   96   3HG2  ILE  12          HG23      ILE  12  -5.204  -2.718   5.867
   97   1HD1  ILE  12          HD11      ILE  12  -5.594  -1.643   7.587
   98   2HD1  ILE  12          HD12      ILE  12  -6.810  -1.525   8.858
   99   3HD1  ILE  12          HD13      ILE  12  -6.415  -0.110   7.883
  100    H    CYS  13           HN       CYS  13  -6.587  -0.493   2.635
  101    HA   CYS  13           HA       CYS  13  -4.128  -1.770   1.832
  102   1HB   CYS  13          HB2       CYS  13  -6.439  -1.654   0.692
  103   2HB   CYS  13          HB1       CYS  13  -5.936  -0.066   0.109
  104    HG   CYS  13           HG       CYS  13  -4.345  -2.677  -0.578
  105    H    GLU  14           HN       GLU  14  -5.210   1.651   1.741
  106    HA   GLU  14           HA       GLU  14  -2.881   2.706   0.440
  107   1HB   GLU  14          HB2       GLU  14  -5.215   3.726   0.889
  108   2HB   GLU  14          HB1       GLU  14  -4.591   4.136   2.488
  109   1HG   GLU  14          HG2       GLU  14  -4.168   6.066   1.177
  110   2HG   GLU  14          HG1       GLU  14  -2.617   5.231   1.243
  111    H    VAL  15           HN       VAL  15  -3.704   2.436   3.931
  112    HA   VAL  15           HA       VAL  15  -1.352   3.644   4.986
  113    HB   VAL  15           HB       VAL  15  -3.237   1.481   5.965
  114   1HG1  VAL  15          HG11      VAL  15  -2.278   1.949   8.239
  115   2HG1  VAL  15          HG12      VAL  15  -0.992   2.871   7.461
  116   3HG1  VAL  15          HG13      VAL  15  -1.143   1.140   7.158
  117   1HG2  VAL  15          HG21      VAL  15  -4.093   3.811   5.629
  118   2HG2  VAL  15          HG22      VAL  15  -2.875   4.387   6.767
  119   3HG2  VAL  15          HG23      VAL  15  -4.150   3.298   7.315
  120    H    LEU  16           HN       LEU  16  -1.941   0.303   3.899
  121    HA   LEU  16           HA       LEU  16   0.680  -0.668   4.775
  122   1HB   LEU  16          HB2       LEU  16  -1.754  -1.776   4.155
  123   2HB   LEU  16          HB1       LEU  16  -0.850  -2.111   2.680
  124    HG   LEU  16           HG       LEU  16  -0.566  -3.981   4.200
  125   1HD1  LEU  16          HD11      LEU  16   1.428  -3.028   2.877
  126   2HD1  LEU  16          HD12      LEU  16   1.798  -4.128   4.206
  127   3HD1  LEU  16          HD13      LEU  16   1.989  -2.388   4.421
  128   1HD2  LEU  16          HD21      LEU  16   0.318  -3.725   6.445
  129   2HD2  LEU  16          HD22      LEU  16  -1.081  -2.664   6.280
  130   3HD2  LEU  16          HD23      LEU  16   0.549  -1.993   6.203
  131    H    SER  17           HN       SER  17  -0.790   0.362   1.684
  132    HA   SER  17           HA       SER  17   1.444  -0.274  -0.008
  133   1HB   SER  17          HB2       SER  17  -0.999   0.301  -0.578
  134   2HB   SER  17          HB1       SER  17  -0.543   1.989  -0.364
  135    HG   SER  17           HG       SER  17  -0.158   1.635  -2.466
  136    H    ASP  18           HN       ASP  18   0.576   2.707   1.777
  137    HA   ASP  18           HA       ASP  18   2.747   4.314   0.763
  138   1HB   ASP  18          HB2       ASP  18   0.842   4.352   3.086
  139   2HB   ASP  18          HB1       ASP  18   2.207   5.470   3.103
  140    H    PHE  19           HN       PHE  19   2.484   1.959   3.385
  141    HA   PHE  19           HA       PHE  19   5.055   2.613   4.609
  142   1HB   PHE  19          HB2       PHE  19   2.878   1.475   5.549
  143   2HB   PHE  19          HB1       PHE  19   3.582   0.002   4.883
  144    HD1  PHE  19           HD1      PHE  19   4.155   2.801   7.262
  145    HD2  PHE  19           HD2      PHE  19   5.464  -1.060   5.908
  146    HE1  PHE  19           HE1      PHE  19   5.657   2.620   9.227
  147    HE2  PHE  19           HE2      PHE  19   6.963  -1.242   7.874
  148    HZ   PHE  19           HZ       PHE  19   7.060   0.599   9.533
  149    H    LYS  20           HN       LYS  20   3.861   0.142   2.301
  150    HA   LYS  20           HA       LYS  20   6.266  -1.418   2.186
  151   1HB   LYS  20          HB2       LYS  20   5.189  -2.488   0.372
  152   2HB   LYS  20          HB1       LYS  20   3.853  -1.873   1.341
  153   1HG   LYS  20          HG2       LYS  20   3.110  -0.901  -0.557
  154   2HG   LYS  20          HG1       LYS  20   4.432   0.245  -0.365
  155   1HD   LYS  20          HD2       LYS  20   5.860  -0.999  -1.812
  156   2HD   LYS  20          HD1       LYS  20   4.795  -2.403  -1.773
  157   1HE   LYS  20          HE2       LYS  20   3.840  -1.595  -3.668
  158   2HE   LYS  20          HE1       LYS  20   3.163  -0.290  -2.675
  159   1HZ   LYS  20          HZ1       LYS  20   5.905  -0.266  -3.828
  160   2HZ   LYS  20          HZ2       LYS  20   5.142   1.005  -2.992
  161   3HZ   LYS  20          HZ3       LYS  20   4.576   0.526  -4.523
  162    H    THR  21           HN       THR  21   5.370   1.613   0.624
  163    HA   THR  21           HA       THR  21   7.605   1.545  -1.287
  164    HB   THR  21           HB       THR  21   5.627   3.691  -0.425
  165    HG1  THR  21           HG1      THR  21   4.353   2.742  -1.778
  166   1HG2  THR  21          HG21      THR  21   7.889   3.673  -2.357
  167   2HG2  THR  21          HG22      THR  21   7.185   5.018  -1.460
  168   3HG2  THR  21          HG23      THR  21   6.387   4.414  -2.912
  169    H    TRP  22           HN       TRP  22   6.821   3.094   1.820
  170    HA   TRP  22           HA       TRP  22   9.123   4.801   2.001
  171   1HB   TRP  22          HB2       TRP  22   7.308   5.232   3.456
  172   2HB   TRP  22          HB1       TRP  22   7.154   3.537   3.912
  173    HD1  TRP  22           HD1      TRP  22   9.285   6.645   4.576
  174    HE1  TRP  22           HE1      TRP  22  10.622   6.280   6.751
  175    HE3  TRP  22           HE3      TRP  22   8.149   1.754   5.501
  176    HZ2  TRP  22           HZ2      TRP  22  11.139   4.186   8.635
  177    HZ3  TRP  22           HZ3      TRP  22   9.073   0.601   7.489
  178    HH2  TRP  22           HH2      TRP  22  10.566   1.808   9.054
  179    H    LEU  23           HN       LEU  23   8.524   1.435   3.054
  180    HA   LEU  23           HA       LEU  23  11.028   1.017   4.396
  181   1HB   LEU  23          HB2       LEU  23   8.677  -0.443   3.611
  182   2HB   LEU  23          HB1       LEU  23  10.099  -1.394   3.182
  183    HG   LEU  23           HG       LEU  23  10.056  -0.084   5.868
  184   1HD1  LEU  23          HD11      LEU  23   8.613  -2.681   5.271
  185   2HD1  LEU  23          HD12      LEU  23   7.803  -1.145   5.576
  186   3HD1  LEU  23          HD13      LEU  23   8.772  -1.896   6.842
  187   1HD2  LEU  23          HD21      LEU  23  11.378  -2.015   6.468
  188   2HD2  LEU  23          HD22      LEU  23  11.996  -1.407   4.933
  189   3HD2  LEU  23          HD23      LEU  23  10.958  -2.833   4.962
  190    H    LYS  24           HN       LYS  24  10.010   0.286   1.033
  191    HA   LYS  24           HA       LYS  24  12.540  -0.763   0.155
  192   1HB   LYS  24          HB2       LYS  24  10.042  -0.644  -0.845
  193   2HB   LYS  24          HB1       LYS  24  10.737   0.724  -1.713
  194   1HG   LYS  24          HG2       LYS  24  12.118  -1.963  -1.618
  195   2HG   LYS  24          HG1       LYS  24  10.908  -1.586  -2.845
  196   1HD   LYS  24          HD2       LYS  24  12.403   0.617  -3.105
  197   2HD   LYS  24          HD1       LYS  24  13.652  -0.458  -2.479
  198   1HE   LYS  24          HE2       LYS  24  11.874  -1.169  -4.840
  199   2HE   LYS  24          HE1       LYS  24  13.493  -0.462  -5.003
  200   1HZ   LYS  24          HZ1       LYS  24  13.884  -2.748  -5.018
  201   2HZ   LYS  24          HZ2       LYS  24  12.729  -3.063  -3.812
  202   3HZ   LYS  24          HZ3       LYS  24  14.202  -2.315  -3.409
  203    H    ALA  25           HN       ALA  25  11.098   2.512  -0.068
  204    HA   ALA  25           HA       ALA  25  13.276   3.789  -1.419
  205   1HB   ALA  25          HB1       ALA  25  11.230   4.836   0.568
  206   2HB   ALA  25          HB2       ALA  25  11.005   4.716  -1.177
  207   3HB   ALA  25          HB3       ALA  25  12.190   5.843  -0.517
  208    H    LYS  26           HN       LYS  26  12.596   3.292   2.055
  209    HA   LYS  26           HA       LYS  26  14.736   4.851   3.130
  210   1HB   LYS  26          HB2       LYS  26  12.761   3.836   4.328
  211   2HB   LYS  26          HB1       LYS  26  13.541   2.263   4.181
  212   1HG   LYS  26          HG2       LYS  26  14.907   2.689   5.924
  213   2HG   LYS  26          HG1       LYS  26  15.378   4.250   5.250
  214   1HD   LYS  26          HD2       LYS  26  13.056   5.072   6.057
  215   2HD   LYS  26          HD1       LYS  26  13.037   3.610   7.044
  216   1HE   LYS  26          HE2       LYS  26  14.058   5.072   8.541
  217   2HE   LYS  26          HE1       LYS  26  15.499   4.486   7.688
  218   1HZ   LYS  26          HZ1       LYS  26  15.297   6.320   6.132
  219   2HZ   LYS  26          HZ2       LYS  26  15.410   6.918   7.718
  220   3HZ   LYS  26          HZ3       LYS  26  13.907   6.883   6.926
  221    H    LEU  27           HN       LEU  27  14.618   1.507   1.926
  222    HA   LEU  27           HA       LEU  27  17.349   0.854   2.737
  223   1HB   LEU  27          HB2       LEU  27  15.015  -0.385   1.472
  224   2HB   LEU  27          HB1       LEU  27  16.525  -0.892   0.716
  225    HG   LEU  27           HG       LEU  27  17.290  -1.126   3.265
  226   1HD1  LEU  27          HD11      LEU  27  15.461  -1.913   4.673
  227   2HD1  LEU  27          HD12      LEU  27  14.310  -1.686   3.357
  228   3HD1  LEU  27          HD13      LEU  27  15.087  -0.289   4.100
  229   1HD2  LEU  27          HD21      LEU  27  16.460  -3.534   3.121
  230   2HD2  LEU  27          HD22      LEU  27  17.399  -2.974   1.737
  231   3HD2  LEU  27          HD23      LEU  27  15.640  -3.071   1.629
  232    H    MET  28           HN       MET  28  15.767   1.463  -0.432
  233    HA   MET  28           HA       MET  28  18.086   2.915  -1.451
  234   1HB   MET  28          HB2       MET  28  18.581   1.174  -3.211
  235   2HB   MET  28          HB1       MET  28  18.965   0.653  -1.572
  236   1HG   MET  28          HG2       MET  28  16.663  -0.431  -1.498
  237   2HG   MET  28          HG1       MET  28  16.543  -0.105  -3.227
  238   1HE   MET  28          HE1       MET  28  17.933  -2.539  -5.013
  239   2HE   MET  28          HE2       MET  28  19.237  -1.362  -4.878
  240   3HE   MET  28          HE3       MET  28  17.562  -0.816  -4.860
  241    HA   PRO  29           HA       PRO  29  14.534   4.278  -3.803
  242   1HB   PRO  29          HB2       PRO  29  15.798   6.329  -5.101
  243   2HB   PRO  29          HB1       PRO  29  15.267   6.437  -3.411
  244   1HG   PRO  29          HG2       PRO  29  17.983   5.945  -4.514
  245   2HG   PRO  29          HG1       PRO  29  17.491   6.882  -3.095
  246   1HD   PRO  29          HD2       PRO  29  18.543   4.354  -2.975
  247   2HD   PRO  29          HD1       PRO  29  17.480   5.053  -1.732
  248    H    GLN  30           HN       GLN  30  14.476   5.077  -6.354
  249    HA   GLN  30           HA       GLN  30  15.298   2.723  -7.889
  250   1HB   GLN  30          HB2       GLN  30  13.153   4.138  -8.071
  251   2HB   GLN  30          HB1       GLN  30  14.143   5.330  -8.911
  252   1HG   GLN  30          HG2       GLN  30  13.249   4.020 -10.660
  253   2HG   GLN  30          HG1       GLN  30  14.868   3.358 -10.431
  254   1HE2  GLN  30          HE21      GLN  30  14.979   1.127 -10.047
  255   2HE2  GLN  30          HE22      GLN  30  13.661   0.160  -9.589
  256    H    LEU  31           HN       LEU  31  17.681   3.032  -7.558
  257    HA   LEU  31           HA       LEU  31  18.811   4.928  -9.583
  258   1HB   LEU  31          HB2       LEU  31  18.915   5.210  -6.805
  259   2HB   LEU  31          HB1       LEU  31  20.481   4.509  -7.215
  260    HG   LEU  31           HG       LEU  31  20.399   6.331  -9.153
  261   1HD1  LEU  31          HD11      LEU  31  18.172   7.169  -8.644
  262   2HD1  LEU  31          HD12      LEU  31  19.350   8.424  -8.263
  263   3HD1  LEU  31          HD13      LEU  31  18.630   7.468  -6.967
  264   1HD2  LEU  31          HD21      LEU  31  21.047   6.921  -6.245
  265   2HD2  LEU  31          HD22      LEU  31  21.616   7.875  -7.615
  266   3HD2  LEU  31          HD23      LEU  31  22.137   6.200  -7.430
  Start of MODEL   30
    1   1H    SER   1           HT1      SER   1 -26.914  -4.451  -6.612
    2   2H    SER   1           HT2      SER   1 -25.629  -3.504  -7.199
    3   3H    SER   1           HT3      SER   1 -26.310  -3.169  -5.679
    4    HA   SER   1           HA       SER   1 -25.483  -5.246  -4.785
    5   1HB   SER   1          HB2       SER   1 -24.523  -5.575  -7.647
    6   2HB   SER   1          HB1       SER   1 -24.135  -6.675  -6.327
    7    HG   SER   1           HG       SER   1 -25.916  -7.516  -7.301
    8    H    GLY   2           HN       GLY   2 -23.650  -4.824  -3.578
    9   1HA   GLY   2          HA2       GLY   2 -21.250  -4.289  -3.458
   10   2HA   GLY   2          HA1       GLY   2 -21.473  -3.207  -4.832
   11    H    SER   3           HN       SER   3 -20.773  -3.021  -1.708
   12    HA   SER   3           HA       SER   3 -22.018  -0.345  -1.418
   13   1HB   SER   3          HB2       SER   3 -23.580  -2.119  -0.507
   14   2HB   SER   3          HB1       SER   3 -22.336  -2.522   0.674
   15    HG   SER   3           HG       SER   3 -23.964  -0.266   0.455
   16    H    TRP   4           HN       TRP   4 -20.267  -2.753   0.618
   17    HA   TRP   4           HA       TRP   4 -18.347  -0.575   1.366
   18   1HB   TRP   4          HB2       TRP   4 -19.735  -2.783   2.733
   19   2HB   TRP   4          HB1       TRP   4 -18.025  -2.677   3.141
   20    HD1  TRP   4           HD1      TRP   4 -21.243  -0.587   3.188
   21    HE1  TRP   4           HE1      TRP   4 -20.957   1.322   4.897
   22    HE3  TRP   4           HE3      TRP   4 -16.337  -1.252   4.444
   23    HZ2  TRP   4           HZ2      TRP   4 -18.917   2.423   6.573
   24    HZ3  TRP   4           HZ3      TRP   4 -15.249   0.240   6.097
   25    HH2  TRP   4           HH2      TRP   4 -16.531   2.075   7.162
   26    H    LEU   5           HN       LEU   5 -16.347  -2.335   2.403
   27    HA   LEU   5           HA       LEU   5 -14.479  -3.610   1.775
   28   1HB   LEU   5          HB2       LEU   5 -16.707  -4.597   0.086
   29   2HB   LEU   5          HB1       LEU   5 -15.098  -4.943  -0.537
   30    HG   LEU   5           HG       LEU   5 -15.987  -6.742   0.958
   31   1HD1  LEU   5          HD11      LEU   5 -13.948  -6.957   2.311
   32   2HD1  LEU   5          HD12      LEU   5 -13.580  -5.253   2.049
   33   3HD1  LEU   5          HD13      LEU   5 -13.555  -6.379   0.693
   34   1HD2  LEU   5          HD21      LEU   5 -17.073  -4.856   2.471
   35   2HD2  LEU   5          HD22      LEU   5 -15.519  -4.930   3.302
   36   3HD2  LEU   5          HD23      LEU   5 -16.527  -6.371   3.189
   37    H    ARG   6           HN       ARG   6 -15.958  -2.539  -1.332
   38    HA   ARG   6           HA       ARG   6 -13.522  -1.923  -2.663
   39   1HB   ARG   6          HB2       ARG   6 -16.370  -1.569  -2.996
   40   2HB   ARG   6          HB1       ARG   6 -15.538  -0.093  -3.481
   41   1HG   ARG   6          HG2       ARG   6 -15.395  -1.266  -5.465
   42   2HG   ARG   6          HG1       ARG   6 -13.916  -1.835  -4.689
   43   1HD   ARG   6          HD2       ARG   6 -15.012  -3.822  -5.451
   44   2HD   ARG   6          HD1       ARG   6 -15.389  -3.742  -3.719
   45    HE   ARG   6           HE       ARG   6 -17.594  -2.812  -4.305
   46   1HH1  ARG   6          HH21      ARG   6 -17.493  -5.423  -5.784
   47   2HH1  ARG   6          HH22      ARG   6 -17.994  -4.961  -7.375
   48   1HH2  ARG   6          HH11      ARG   6 -17.457  -1.568  -6.841
   49   2HH2  ARG   6          HH12      ARG   6 -17.977  -2.768  -7.975
   50    H    ASP   7           HN       ASP   7 -15.283  -0.158  -0.192
   51    HA   ASP   7           HA       ASP   7 -13.605   2.273  -0.594
   52   1HB   ASP   7          HB2       ASP   7 -16.140   2.311  -0.374
   53   2HB   ASP   7          HB1       ASP   7 -15.925   1.792   1.299
   54    H    ILE   8           HN       ILE   8 -14.334  -0.286   1.799
   55    HA   ILE   8           HA       ILE   8 -12.839   0.824   3.981
   56    HB   ILE   8           HB       ILE   8 -14.531  -1.180   3.801
   57   1HG1  ILE   8          HG12      ILE   8 -12.089  -1.489   5.566
   58   2HG1  ILE   8          HG11      ILE   8 -13.343  -0.285   5.851
   59   1HG2  ILE   8          HG21      ILE   8 -13.547  -3.366   3.625
   60   2HG2  ILE   8          HG22      ILE   8 -11.916  -2.696   3.595
   61   3HG2  ILE   8          HG23      ILE   8 -12.994  -2.453   2.223
   62   1HD1  ILE   8          HD11      ILE   8 -13.538  -3.282   6.015
   63   2HD1  ILE   8          HD12      ILE   8 -14.983  -2.321   5.698
   64   3HD1  ILE   8          HD13      ILE   8 -14.066  -2.072   7.184
   65    H    TRP   9           HN       TRP   9 -11.858  -1.075   1.160
   66    HA   TRP   9           HA       TRP   9  -9.222  -1.786   2.054
   67   1HB   TRP   9          HB2       TRP   9 -10.508  -1.340  -0.656
   68   2HB   TRP   9          HB1       TRP   9  -8.855  -1.923  -0.486
   69    HD1  TRP   9           HD1      TRP   9 -10.240  -3.472   2.347
   70    HE1  TRP   9           HE1      TRP   9 -11.173  -5.827   1.874
   71    HE3  TRP   9           HE3      TRP   9 -10.579  -3.284  -2.747
   72    HZ2  TRP   9           HZ2      TRP   9 -11.957  -7.422  -0.366
   73    HZ3  TRP   9           HZ3      TRP   9 -11.420  -5.235  -4.022
   74    HH2  TRP   9           HH2      TRP   9 -12.109  -7.301  -2.839
   75    H    ASP  10           HN       ASP  10 -10.526   1.088   0.406
   76    HA   ASP  10           HA       ASP  10  -8.103   2.424  -0.239
   77   1HB   ASP  10          HB2       ASP  10 -10.277   3.165  -1.027
   78   2HB   ASP  10          HB1       ASP  10 -10.843   3.409   0.626
   79    H    TRP  11           HN       TRP  11  -9.977   2.358   2.800
   80    HA   TRP  11           HA       TRP  11  -8.501   4.282   4.286
   81   1HB   TRP  11          HB2       TRP  11 -10.341   3.641   5.485
   82   2HB   TRP  11          HB1       TRP  11 -10.387   2.058   4.723
   83    HD1  TRP  11           HD1      TRP  11  -7.558   3.483   6.930
   84    HE1  TRP  11           HE1      TRP  11  -7.229   1.913   8.942
   85    HE3  TRP  11           HE3      TRP  11 -11.373   0.214   6.106
   86    HZ2  TRP  11           HZ2      TRP  11  -8.435  -0.429  10.061
   87    HZ3  TRP  11           HZ3      TRP  11 -11.767  -1.678   7.657
   88    HH2  TRP  11           HH2      TRP  11 -10.305  -2.003   9.631
   89    H    ILE  12           HN       ILE  12  -8.023   0.730   4.056
   90    HA   ILE  12           HA       ILE  12  -5.553   0.763   5.603
   91    HB   ILE  12           HB       ILE  12  -6.632  -1.297   3.654
   92   1HG1  ILE  12          HG12      ILE  12  -7.111  -1.840   6.471
   93   2HG1  ILE  12          HG11      ILE  12  -7.880  -0.331   5.978
   94   1HG2  ILE  12          HG21      ILE  12  -4.785  -1.528   6.047
   95   2HG2  ILE  12          HG22      ILE  12  -4.313  -1.693   4.356
   96   3HG2  ILE  12          HG23      ILE  12  -5.384  -2.885   5.093
   97   1HD1  ILE  12          HD11      ILE  12  -9.502  -1.958   5.461
   98   2HD1  ILE  12          HD12      ILE  12  -8.296  -3.101   4.870
   99   3HD1  ILE  12          HD13      ILE  12  -8.701  -1.675   3.916
  100    H    CYS  13           HN       CYS  13  -6.381   1.136   2.199
  101    HA   CYS  13           HA       CYS  13  -3.920   0.503   0.956
  102   1HB   CYS  13          HB2       CYS  13  -6.168   1.089  -0.073
  103   2HB   CYS  13          HB1       CYS  13  -5.793   2.783   0.245
  104    HG   CYS  13           HG       CYS  13  -3.960   1.023  -1.587
  105    H    GLU  14           HN       GLU  14  -5.009   3.640   2.328
  106    HA   GLU  14           HA       GLU  14  -2.533   5.037   1.763
  107   1HB   GLU  14          HB2       GLU  14  -4.721   6.132   2.106
  108   2HB   GLU  14          HB1       GLU  14  -4.766   5.538   3.766
  109   1HG   GLU  14          HG2       GLU  14  -3.458   7.228   4.489
  110   2HG   GLU  14          HG1       GLU  14  -2.272   6.934   3.218
  111    H    VAL  15           HN       VAL  15  -3.864   3.498   4.713
  112    HA   VAL  15           HA       VAL  15  -1.667   4.090   6.457
  113    HB   VAL  15           HB       VAL  15  -3.730   1.860   6.379
  114   1HG1  VAL  15          HG11      VAL  15  -1.864   1.139   7.775
  115   2HG1  VAL  15          HG12      VAL  15  -3.212   1.605   8.812
  116   3HG1  VAL  15          HG13      VAL  15  -1.843   2.696   8.603
  117   1HG2  VAL  15          HG21      VAL  15  -3.563   4.459   7.943
  118   2HG2  VAL  15          HG22      VAL  15  -4.848   3.260   8.091
  119   3HG2  VAL  15          HG23      VAL  15  -4.639   4.146   6.581
  120    H    LEU  16           HN       LEU  16  -2.220   1.436   4.161
  121    HA   LEU  16           HA       LEU  16   0.186  -0.033   5.015
  122   1HB   LEU  16          HB2       LEU  16  -1.994  -1.032   4.198
  123   2HB   LEU  16          HB1       LEU  16  -1.602  -0.409   2.595
  124    HG   LEU  16           HG       LEU  16   0.716  -1.668   3.120
  125   1HD1  LEU  16          HD11      LEU  16   0.014  -3.901   4.181
  126   2HD1  LEU  16          HD12      LEU  16  -1.405  -3.042   4.780
  127   3HD1  LEU  16          HD13      LEU  16   0.209  -2.533   5.276
  128   1HD2  LEU  16          HD21      LEU  16  -1.219  -1.990   1.321
  129   2HD2  LEU  16          HD22      LEU  16  -1.564  -3.427   2.286
  130   3HD2  LEU  16          HD23      LEU  16   0.023  -3.222   1.542
  131    H    SER  17           HN       SER  17  -0.712   2.287   2.503
  132    HA   SER  17           HA       SER  17   1.377   1.830   0.626
  133   1HB   SER  17          HB2       SER  17  -0.601   3.289   0.298
  134   2HB   SER  17          HB1       SER  17   0.046   4.423   1.479
  135    HG   SER  17           HG       SER  17   1.421   5.125   0.038
  136    H    ASP  18           HN       ASP  18   1.335   4.088   3.436
  137    HA   ASP  18           HA       ASP  18   3.962   5.129   3.130
  138   1HB   ASP  18          HB2       ASP  18   2.154   5.885   4.712
  139   2HB   ASP  18          HB1       ASP  18   2.491   4.466   5.705
  140    H    PHE  19           HN       PHE  19   2.828   2.153   4.723
  141    HA   PHE  19           HA       PHE  19   5.354   1.312   5.810
  142   1HB   PHE  19          HB2       PHE  19   2.945   0.516   6.274
  143   2HB   PHE  19          HB1       PHE  19   3.109  -0.463   4.818
  144    HD1  PHE  19           HD1      PHE  19   4.344   0.074   8.259
  145    HD2  PHE  19           HD2      PHE  19   4.596  -2.381   4.742
  146    HE1  PHE  19           HE1      PHE  19   5.563  -1.654   9.553
  147    HE2  PHE  19           HE2      PHE  19   5.817  -4.109   6.039
  148    HZ   PHE  19           HZ       PHE  19   6.300  -3.745   8.443
  149    H    LYS  20           HN       LYS  20   3.872   1.001   2.602
  150    HA   LYS  20           HA       LYS  20   5.921  -0.881   1.639
  151   1HB   LYS  20          HB2       LYS  20   3.550  -0.935   0.899
  152   2HB   LYS  20          HB1       LYS  20   3.739   0.677   0.212
  153   1HG   LYS  20          HG2       LYS  20   3.972  -1.155  -1.487
  154   2HG   LYS  20          HG1       LYS  20   5.401  -0.129  -1.369
  155   1HD   LYS  20          HD2       LYS  20   6.495  -1.793   0.082
  156   2HD   LYS  20          HD1       LYS  20   5.061  -2.815   0.005
  157   1HE   LYS  20          HE2       LYS  20   5.923  -3.774  -1.861
  158   2HE   LYS  20          HE1       LYS  20   5.754  -2.214  -2.687
  159   1HZ   LYS  20          HZ1       LYS  20   7.878  -1.525  -1.762
  160   2HZ   LYS  20          HZ2       LYS  20   8.070  -2.952  -2.663
  161   3HZ   LYS  20          HZ3       LYS  20   8.047  -3.012  -0.965
  162    H    THR  21           HN       THR  21   5.288   2.610   1.536
  163    HA   THR  21           HA       THR  21   6.987   3.416  -0.575
  164    HB   THR  21           HB       THR  21   6.295   4.635   2.117
  165    HG1  THR  21           HG1      THR  21   5.440   5.154  -0.540
  166   1HG2  THR  21          HG21      THR  21   6.983   6.791   0.694
  167   2HG2  THR  21          HG22      THR  21   8.078   5.632  -0.060
  168   3HG2  THR  21          HG23      THR  21   8.158   5.919   1.679
  169    H    TRP  22           HN       TRP  22   7.813   2.892   2.880
  170    HA   TRP  22           HA       TRP  22  10.659   3.333   2.508
  171   1HB   TRP  22          HB2       TRP  22   9.571   3.612   4.677
  172   2HB   TRP  22          HB1       TRP  22   9.007   1.940   4.647
  173    HD1  TRP  22           HD1      TRP  22  12.234   4.003   4.952
  174    HE1  TRP  22           HE1      TRP  22  14.047   2.529   6.041
  175    HE3  TRP  22           HE3      TRP  22   9.757  -0.454   5.133
  176    HZ2  TRP  22           HZ2      TRP  22  14.400  -0.185   6.880
  177    HZ3  TRP  22           HZ3      TRP  22  10.850  -2.467   6.078
  178    HH2  TRP  22           HH2      TRP  22  13.165  -2.338   6.951
  179    H    LEU  23           HN       LEU  23   8.539   0.466   2.574
  180    HA   LEU  23           HA       LEU  23  10.527  -1.571   2.461
  181   1HB   LEU  23          HB2       LEU  23   7.668  -1.238   2.091
  182   2HB   LEU  23          HB1       LEU  23   8.302  -2.350   0.885
  183    HG   LEU  23           HG       LEU  23   7.748  -3.722   2.739
  184   1HD1  LEU  23          HD11      LEU  23   9.774  -4.759   3.199
  185   2HD1  LEU  23          HD12      LEU  23  10.628  -3.232   3.416
  186   3HD1  LEU  23          HD13      LEU  23  10.217  -3.789   1.794
  187   1HD2  LEU  23          HD21      LEU  23   8.568  -1.340   4.251
  188   2HD2  LEU  23          HD22      LEU  23   9.103  -2.853   4.981
  189   3HD2  LEU  23          HD23      LEU  23   7.389  -2.583   4.665
  190    H    LYS  24           HN       LYS  24   9.100   0.459  -0.089
  191    HA   LYS  24           HA       LYS  24  10.252  -0.950  -2.336
  192   1HB   LYS  24          HB2       LYS  24   8.323   0.666  -2.363
  193   2HB   LYS  24          HB1       LYS  24   9.466   1.971  -2.047
  194   1HG   LYS  24          HG2       LYS  24  10.131   0.173  -4.321
  195   2HG   LYS  24          HG1       LYS  24   8.741   1.235  -4.549
  196   1HD   LYS  24          HD2       LYS  24  10.324   3.095  -3.614
  197   2HD   LYS  24          HD1       LYS  24  11.614   1.973  -4.042
  198   1HE   LYS  24          HE2       LYS  24  10.780   1.889  -6.374
  199   2HE   LYS  24          HE1       LYS  24   9.490   3.032  -5.946
  200   1HZ   LYS  24          HZ1       LYS  24  12.411   3.518  -5.649
  201   2HZ   LYS  24          HZ2       LYS  24  11.182   4.602  -5.198
  202   3HZ   LYS  24          HZ3       LYS  24  11.412   4.206  -6.834
  203    H    ALA  25           HN       ALA  25  11.394   1.678  -0.230
  204    HA   ALA  25           HA       ALA  25  13.685   2.453  -1.781
  205   1HB   ALA  25          HB1       ALA  25  12.675   3.771   0.044
  206   2HB   ALA  25          HB2       ALA  25  14.379   3.467   0.377
  207   3HB   ALA  25          HB3       ALA  25  13.139   2.528   1.206
  208    H    LYS  26           HN       LYS  26  13.355   0.154   0.962
  209    HA   LYS  26           HA       LYS  26  16.158  -0.665   0.800
  210   1HB   LYS  26          HB2       LYS  26  15.525  -2.158   2.612
  211   2HB   LYS  26          HB1       LYS  26  14.738  -0.604   2.872
  212   1HG   LYS  26          HG2       LYS  26  12.846  -1.839   3.113
  213   2HG   LYS  26          HG1       LYS  26  12.866  -1.915   1.353
  214   1HD   LYS  26          HD2       LYS  26  12.924  -4.163   1.616
  215   2HD   LYS  26          HD1       LYS  26  14.616  -3.936   2.053
  216   1HE   LYS  26          HE2       LYS  26  12.564  -3.555   4.207
  217   2HE   LYS  26          HE1       LYS  26  12.951  -5.211   3.704
  218   1HZ   LYS  26          HZ1       LYS  26  14.508  -4.586   5.383
  219   2HZ   LYS  26          HZ2       LYS  26  14.861  -3.118   4.606
  220   3HZ   LYS  26          HZ3       LYS  26  15.340  -4.590   3.905
  221    H    LEU  27           HN       LEU  27  13.213  -1.685  -0.792
  222    HA   LEU  27           HA       LEU  27  14.316  -4.340  -1.514
  223   1HB   LEU  27          HB2       LEU  27  11.873  -3.740  -0.928
  224   2HB   LEU  27          HB1       LEU  27  11.795  -3.012  -2.532
  225    HG   LEU  27           HG       LEU  27  12.985  -5.531  -2.927
  226   1HD1  LEU  27          HD11      LEU  27  12.189  -6.132  -0.643
  227   2HD1  LEU  27          HD12      LEU  27  11.405  -7.089  -1.900
  228   3HD1  LEU  27          HD13      LEU  27  10.541  -5.750  -1.143
  229   1HD2  LEU  27          HD21      LEU  27  10.077  -4.746  -3.294
  230   2HD2  LEU  27          HD22      LEU  27  10.954  -5.986  -4.190
  231   3HD2  LEU  27          HD23      LEU  27  11.376  -4.286  -4.395
  232    H    MET  28           HN       MET  28  13.406  -1.279  -3.138
  233    HA   MET  28           HA       MET  28  14.021  -0.394  -5.233
  234   1HB   MET  28          HB2       MET  28  16.222  -1.019  -3.850
  235   2HB   MET  28          HB1       MET  28  16.446  -2.150  -5.185
  236   1HG   MET  28          HG2       MET  28  16.399  -0.376  -6.805
  237   2HG   MET  28          HG1       MET  28  15.876   0.795  -5.595
  238   1HE   MET  28          HE1       MET  28  18.633  -1.178  -7.226
  239   2HE   MET  28          HE2       MET  28  18.602  -2.065  -5.705
  240   3HE   MET  28          HE3       MET  28  20.016  -1.101  -6.125
  241    HA   PRO  29           HA       PRO  29  12.790  -4.356  -7.372
  242   1HB   PRO  29          HB2       PRO  29  10.270  -3.579  -8.100
  243   2HB   PRO  29          HB1       PRO  29  10.625  -4.374  -6.554
  244   1HG   PRO  29          HG2       PRO  29  10.122  -1.509  -7.136
  245   2HG   PRO  29          HG1       PRO  29   9.678  -2.470  -5.718
  246   1HD   PRO  29          HD2       PRO  29  11.795  -0.709  -5.819
  247   2HD   PRO  29          HD1       PRO  29  11.658  -2.061  -4.675
  248    H    GLN  30           HN       GLN  30  12.259  -4.518  -9.751
  249    HA   GLN  30           HA       GLN  30  13.681  -2.576 -11.319
  250   1HB   GLN  30          HB2       GLN  30  12.893  -3.942 -13.197
  251   2HB   GLN  30          HB1       GLN  30  13.357  -4.990 -11.861
  252   1HG   GLN  30          HG2       GLN  30  11.309  -5.926 -12.002
  253   2HG   GLN  30          HG1       GLN  30  10.648  -4.405 -11.401
  254   1HE2  GLN  30          HE21      GLN  30   9.508  -3.061 -12.898
  255   2HE2  GLN  30          HE22      GLN  30   9.278  -3.478 -14.528
  256    H    LEU  31           HN       LEU  31  12.894  -0.941 -12.722
  257    HA   LEU  31           HA       LEU  31  10.003  -0.420 -12.951
  258   1HB   LEU  31          HB2       LEU  31  10.894   0.427 -10.679
  259   2HB   LEU  31          HB1       LEU  31  11.768   1.642 -11.613
  260    HG   LEU  31           HG       LEU  31   9.409   2.040 -12.731
  261   1HD1  LEU  31          HD11      LEU  31   8.415   0.088 -11.466
  262   2HD1  LEU  31          HD12      LEU  31   7.541   1.606 -11.267
  263   3HD1  LEU  31          HD13      LEU  31   8.610   1.030  -9.988
  264   1HD2  LEU  31          HD21      LEU  31   9.989   2.970  -9.900
  265   2HD2  LEU  31          HD22      LEU  31   8.979   3.795 -11.087
  266   3HD2  LEU  31          HD23      LEU  31  10.718   3.662 -11.350
  Start of MODEL   31
    1   1H    SER   1           HT1      SER   1 -18.008 -10.914   0.529
    2   2H    SER   1           HT2      SER   1 -17.720  -9.329   1.069
    3   3H    SER   1           HT3      SER   1 -16.973  -9.894  -0.349
    4    HA   SER   1           HA       SER   1 -18.799  -8.456  -0.961
    5   1HB   SER   1          HB2       SER   1 -19.257 -11.434  -1.344
    6   2HB   SER   1          HB1       SER   1 -19.994 -10.176  -2.332
    7    HG   SER   1           HG       SER   1 -18.065 -11.007  -3.260
    8    H    GLY   2           HN       GLY   2 -20.772  -7.613  -0.340
    9   1HA   GLY   2          HA2       GLY   2 -23.108  -8.710   0.451
   10   2HA   GLY   2          HA1       GLY   2 -22.171  -8.872   1.936
   11    H    SER   3           HN       SER   3 -22.791  -6.335  -0.526
   12    HA   SER   3           HA       SER   3 -23.176  -4.019  -0.277
   13   1HB   SER   3          HB2       SER   3 -24.692  -5.489   1.824
   14   2HB   SER   3          HB1       SER   3 -24.608  -3.739   1.996
   15    HG   SER   3           HG       SER   3 -26.120  -5.174   0.348
   16    H    TRP   4           HN       TRP   4 -20.611  -4.929   0.757
   17    HA   TRP   4           HA       TRP   4 -20.006  -2.664   2.540
   18   1HB   TRP   4          HB2       TRP   4 -20.733  -5.124   3.625
   19   2HB   TRP   4          HB1       TRP   4 -18.971  -5.180   3.650
   20    HD1  TRP   4           HD1      TRP   4 -21.845  -2.842   4.746
   21    HE1  TRP   4           HE1      TRP   4 -21.079  -1.544   6.837
   22    HE3  TRP   4           HE3      TRP   4 -17.021  -4.509   5.118
   23    HZ2  TRP   4           HZ2      TRP   4 -18.741  -1.249   8.451
   24    HZ3  TRP   4           HZ3      TRP   4 -15.556  -3.702   6.942
   25    HH2  TRP   4           HH2      TRP   4 -16.407  -2.076   8.608
   26    H    LEU   5           HN       LEU   5 -17.461  -3.514   3.347
   27    HA   LEU   5           HA       LEU   5 -15.242  -3.635   2.591
   28   1HB   LEU   5          HB2       LEU   5 -16.830  -5.592   0.981
   29   2HB   LEU   5          HB1       LEU   5 -15.173  -5.274   0.469
   30    HG   LEU   5           HG       LEU   5 -15.167  -5.554   3.312
   31   1HD1  LEU   5          HD11      LEU   5 -16.636  -7.192   3.776
   32   2HD1  LEU   5          HD12      LEU   5 -15.939  -8.207   2.512
   33   3HD1  LEU   5          HD13      LEU   5 -17.244  -7.086   2.125
   34   1HD2  LEU   5          HD21      LEU   5 -13.264  -6.031   1.871
   35   2HD2  LEU   5          HD22      LEU   5 -14.165  -7.301   1.042
   36   3HD2  LEU   5          HD23      LEU   5 -13.703  -7.507   2.731
   37    H    ARG   6           HN       ARG   6 -17.052  -1.502   1.467
   38    HA   ARG   6           HA       ARG   6 -15.930  -1.095  -1.263
   39   1HB   ARG   6          HB2       ARG   6 -18.401  -0.748  -0.297
   40   2HB   ARG   6          HB1       ARG   6 -17.747   0.831   0.142
   41   1HG   ARG   6          HG2       ARG   6 -17.434   1.469  -2.067
   42   2HG   ARG   6          HG1       ARG   6 -17.259  -0.193  -2.631
   43   1HD   ARG   6          HD2       ARG   6 -19.428   0.801  -3.361
   44   2HD   ARG   6          HD1       ARG   6 -19.685  -0.571  -2.266
   45    HE   ARG   6           HE       ARG   6 -19.584   2.210  -1.167
   46   1HH1  ARG   6          HH11      ARG   6 -20.128  -0.024   0.692
   47   2HH1  ARG   6          HH12      ARG   6 -21.857  -0.066   0.756
   48   1HH2  ARG   6          HH21      ARG   6 -22.272   1.828  -2.129
   49   2HH2  ARG   6          HH22      ARG   6 -23.076   0.985  -0.847
   50    H    ASP   7           HN       ASP   7 -16.005   0.414   1.964
   51    HA   ASP   7           HA       ASP   7 -13.985   2.436   1.134
   52   1HB   ASP   7          HB2       ASP   7 -16.231   2.622   2.609
   53   2HB   ASP   7          HB1       ASP   7 -15.092   2.237   3.900
   54    H    ILE   8           HN       ILE   8 -14.229  -0.594   2.851
   55    HA   ILE   8           HA       ILE   8 -12.035  -0.355   4.665
   56    HB   ILE   8           HB       ILE   8 -13.887  -2.132   4.454
   57   1HG1  ILE   8          HG12      ILE   8 -11.064  -3.196   4.750
   58   2HG1  ILE   8          HG11      ILE   8 -11.876  -2.237   5.985
   59   1HG2  ILE   8          HG21      ILE   8 -13.469  -4.036   3.039
   60   2HG2  ILE   8          HG22      ILE   8 -11.891  -3.410   2.566
   61   3HG2  ILE   8          HG23      ILE   8 -13.360  -2.602   2.019
   62   1HD1  ILE   8          HD11      ILE   8 -13.374  -4.576   4.913
   63   2HD1  ILE   8          HD12      ILE   8 -13.321  -3.929   6.552
   64   3HD1  ILE   8          HD13      ILE   8 -11.993  -4.923   5.953
   65    H    TRP   9           HN       TRP   9 -12.124  -0.987   1.187
   66    HA   TRP   9           HA       TRP   9  -9.378  -1.940   0.988
   67   1HB   TRP   9          HB2       TRP   9 -11.384  -0.806  -0.990
   68   2HB   TRP   9          HB1       TRP   9  -9.823  -1.470  -1.465
   69    HD1  TRP   9           HD1      TRP   9 -10.089  -3.822   0.908
   70    HE1  TRP   9           HE1      TRP   9 -11.530  -5.876   0.315
   71    HE3  TRP   9           HE3      TRP   9 -12.829  -1.896  -2.948
   72    HZ2  TRP   9           HZ2      TRP   9 -13.573  -6.607  -1.548
   73    HZ3  TRP   9           HZ3      TRP   9 -14.513  -3.293  -4.113
   74    HH2  TRP   9           HH2      TRP   9 -14.887  -5.642  -3.419
   75    H    ASP  10           HN       ASP  10 -11.014   1.195   0.518
   76    HA   ASP  10           HA       ASP  10  -8.747   2.685  -0.399
   77   1HB   ASP  10          HB2       ASP  10 -11.226   3.269  -0.438
   78   2HB   ASP  10          HB1       ASP  10 -11.077   3.670   1.274
   79    H    TRP  11           HN       TRP  11 -10.090   2.243   2.901
   80    HA   TRP  11           HA       TRP  11  -8.208   3.876   4.287
   81   1HB   TRP  11          HB2       TRP  11  -9.575   3.242   5.984
   82   2HB   TRP  11          HB1       TRP  11 -10.425   2.230   4.828
   83    HD1  TRP  11           HD1      TRP  11 -10.470  -0.245   5.346
   84    HE1  TRP  11           HE1      TRP  11  -9.179  -1.834   6.905
   85    HE3  TRP  11           HE3      TRP  11  -6.943   2.972   7.154
   86    HZ2  TRP  11           HZ2      TRP  11  -6.946  -1.755   8.686
   87    HZ3  TRP  11           HZ3      TRP  11  -5.248   2.187   8.781
   88    HH2  TRP  11           HH2      TRP  11  -5.244  -0.169   9.550
   89    H    ILE  12           HN       ILE  12  -8.025   0.464   3.269
   90    HA   ILE  12           HA       ILE  12  -5.539  -0.102   4.659
   91    HB   ILE  12           HB       ILE  12  -7.248  -1.359   2.527
   92   1HG1  ILE  12          HG12      ILE  12  -7.817  -1.703   4.883
   93   2HG1  ILE  12          HG11      ILE  12  -7.247  -3.218   4.186
   94   1HG2  ILE  12          HG21      ILE  12  -5.560  -3.293   2.562
   95   2HG2  ILE  12          HG22      ILE  12  -4.405  -2.130   3.212
   96   3HG2  ILE  12          HG23      ILE  12  -5.109  -1.875   1.615
   97   1HD1  ILE  12          HD11      ILE  12  -5.781  -1.345   6.048
   98   2HD1  ILE  12          HD12      ILE  12  -4.915  -2.524   5.064
   99   3HD1  ILE  12          HD13      ILE  12  -6.098  -3.068   6.253
  100    H    CYS  13           HN       CYS  13  -6.370   1.016   1.379
  101    HA   CYS  13           HA       CYS  13  -3.745   0.844   0.237
  102   1HB   CYS  13          HB2       CYS  13  -6.200   1.338  -0.695
  103   2HB   CYS  13          HB1       CYS  13  -5.667   3.011  -0.524
  104    HG   CYS  13           HG       CYS  13  -5.002   1.695  -2.898
  105    H    GLU  14           HN       GLU  14  -5.354   3.386   2.144
  106    HA   GLU  14           HA       GLU  14  -3.487   5.504   1.768
  107   1HB   GLU  14          HB2       GLU  14  -5.743   5.604   2.860
  108   2HB   GLU  14          HB1       GLU  14  -5.069   4.753   4.251
  109   1HG   GLU  14          HG2       GLU  14  -3.278   6.853   3.806
  110   2HG   GLU  14          HG1       GLU  14  -4.865   7.575   3.541
  111    H    VAL  15           HN       VAL  15  -3.516   2.825   4.131
  112    HA   VAL  15           HA       VAL  15  -0.973   3.676   5.348
  113    HB   VAL  15           HB       VAL  15  -2.583   1.110   5.616
  114   1HG1  VAL  15          HG11      VAL  15  -0.628   0.587   6.709
  115   2HG1  VAL  15          HG12      VAL  15  -1.423   1.469   8.013
  116   3HG1  VAL  15          HG13      VAL  15  -0.219   2.276   7.009
  117   1HG2  VAL  15          HG21      VAL  15  -4.127   2.697   6.325
  118   2HG2  VAL  15          HG22      VAL  15  -2.878   3.841   6.821
  119   3HG2  VAL  15          HG23      VAL  15  -3.237   2.435   7.825
  120    H    LEU  16           HN       LEU  16  -2.073   1.448   2.850
  121    HA   LEU  16           HA       LEU  16   0.180  -0.290   2.671
  122   1HB   LEU  16          HB2       LEU  16  -2.251   0.102   1.399
  123   2HB   LEU  16          HB1       LEU  16  -1.089   0.487   0.131
  124    HG   LEU  16           HG       LEU  16   0.095  -1.721   0.958
  125   1HD1  LEU  16          HD11      LEU  16  -2.767  -2.421   1.605
  126   2HD1  LEU  16          HD12      LEU  16  -1.669  -1.847   2.859
  127   3HD1  LEU  16          HD13      LEU  16  -1.302  -3.328   1.975
  128   1HD2  LEU  16          HD21      LEU  16  -2.416  -1.548  -0.727
  129   2HD2  LEU  16          HD22      LEU  16  -1.444  -3.016  -0.617
  130   3HD2  LEU  16          HD23      LEU  16  -0.741  -1.541  -1.280
  131    H    SER  17           HN       SER  17  -0.446   2.874   1.097
  132    HA   SER  17           HA       SER  17   1.942   2.934  -0.499
  133   1HB   SER  17          HB2       SER  17   1.453   5.426  -0.458
  134   2HB   SER  17          HB1       SER  17   0.082   4.425  -0.921
  135    HG   SER  17           HG       SER  17  -0.930   5.111   0.788
  136    H    ASP  18           HN       ASP  18   1.259   4.034   2.828
  137    HA   ASP  18           HA       ASP  18   3.790   5.271   3.364
  138   1HB   ASP  18          HB2       ASP  18   1.396   4.878   4.659
  139   2HB   ASP  18          HB1       ASP  18   2.453   3.783   5.551
  140    H    PHE  19           HN       PHE  19   2.639   1.915   3.707
  141    HA   PHE  19           HA       PHE  19   5.089   0.855   4.837
  142   1HB   PHE  19          HB2       PHE  19   2.584  -0.014   4.706
  143   2HB   PHE  19          HB1       PHE  19   3.137  -0.746   3.202
  144    HD1  PHE  19           HD1      PHE  19   3.608  -3.007   3.491
  145    HD2  PHE  19           HD2      PHE  19   4.717  -0.232   6.580
  146    HE1  PHE  19           HE1      PHE  19   4.662  -4.850   4.771
  147    HE2  PHE  19           HE2      PHE  19   5.770  -2.077   7.857
  148    HZ   PHE  19           HZ       PHE  19   5.743  -4.386   6.953
  149    H    LYS  20           HN       LYS  20   3.799   1.203   1.532
  150    HA   LYS  20           HA       LYS  20   5.728  -0.339   0.108
  151   1HB   LYS  20          HB2       LYS  20   3.534   1.330  -0.411
  152   2HB   LYS  20          HB1       LYS  20   4.880   2.115  -1.235
  153   1HG   LYS  20          HG2       LYS  20   4.552   0.632  -2.906
  154   2HG   LYS  20          HG1       LYS  20   5.238  -0.582  -1.827
  155   1HD   LYS  20          HD2       LYS  20   2.350   0.082  -1.468
  156   2HD   LYS  20          HD1       LYS  20   2.792  -0.856  -2.895
  157   1HE   LYS  20          HE2       LYS  20   4.093  -1.783  -0.406
  158   2HE   LYS  20          HE1       LYS  20   2.327  -1.965  -0.426
  159   1HZ   LYS  20          HZ1       LYS  20   3.507  -3.853  -1.482
  160   2HZ   LYS  20          HZ2       LYS  20   4.124  -2.786  -2.652
  161   3HZ   LYS  20          HZ3       LYS  20   2.450  -3.059  -2.543
  162    H    THR  21           HN       THR  21   5.752   3.109   1.073
  163    HA   THR  21           HA       THR  21   8.248   3.836  -0.131
  164    HB   THR  21           HB       THR  21   6.771   4.817   2.343
  165    HG1  THR  21           HG1      THR  21   5.532   5.653   0.894
  166   1HG2  THR  21          HG21      THR  21   8.981   5.664   2.565
  167   2HG2  THR  21          HG22      THR  21   8.069   6.968   1.805
  168   3HG2  THR  21          HG23      THR  21   9.130   5.949   0.831
  169    H    TRP  22           HN       TRP  22   7.462   2.570   3.118
  170    HA   TRP  22           HA       TRP  22  10.148   2.585   4.156
  171   1HB   TRP  22          HB2       TRP  22   8.098   2.478   5.518
  172   2HB   TRP  22          HB1       TRP  22   7.689   0.918   4.806
  173    HD1  TRP  22           HD1      TRP  22  10.233   2.566   7.158
  174    HE1  TRP  22           HE1      TRP  22  11.337   0.724   8.587
  175    HE3  TRP  22           HE3      TRP  22   8.245  -1.575   4.944
  176    HZ2  TRP  22           HZ2      TRP  22  11.369  -2.134   8.764
  177    HZ3  TRP  22           HZ3      TRP  22   8.825  -3.843   5.755
  178    HH2  TRP  22           HH2      TRP  22  10.383  -4.127   7.659
  179    H    LEU  23           HN       LEU  23   8.220   0.138   2.409
  180    HA   LEU  23           HA       LEU  23  10.094  -2.032   2.622
  181   1HB   LEU  23          HB2       LEU  23   7.610  -1.352   1.261
  182   2HB   LEU  23          HB1       LEU  23   8.676  -2.260   0.195
  183    HG   LEU  23           HG       LEU  23   7.432  -3.926   1.318
  184   1HD1  LEU  23          HD11      LEU  23  10.094  -3.947   1.549
  185   2HD1  LEU  23          HD12      LEU  23   9.094  -5.196   2.291
  186   3HD1  LEU  23          HD13      LEU  23   9.697  -3.855   3.265
  187   1HD2  LEU  23          HD21      LEU  23   6.287  -3.267   3.142
  188   2HD2  LEU  23          HD22      LEU  23   7.405  -1.938   3.443
  189   3HD2  LEU  23          HD23      LEU  23   7.760  -3.547   4.069
  190    H    LYS  24           HN       LYS  24   9.721   0.605   0.251
  191    HA   LYS  24           HA       LYS  24  11.623  -0.338  -1.679
  192   1HB   LYS  24          HB2       LYS  24   9.871   1.504  -1.870
  193   2HB   LYS  24          HB1       LYS  24  10.966   2.532  -0.944
  194   1HG   LYS  24          HG2       LYS  24  11.439   3.027  -3.222
  195   2HG   LYS  24          HG1       LYS  24  12.744   1.959  -2.706
  196   1HD   LYS  24          HD2       LYS  24  10.599   0.312  -3.621
  197   2HD   LYS  24          HD1       LYS  24  10.866   1.563  -4.836
  198   1HE   LYS  24          HE2       LYS  24  13.270   0.182  -3.676
  199   2HE   LYS  24          HE1       LYS  24  12.305  -0.669  -4.897
  200   1HZ   LYS  24          HZ1       LYS  24  14.077   0.795  -5.838
  201   2HZ   LYS  24          HZ2       LYS  24  13.246   2.134  -5.204
  202   3HZ   LYS  24          HZ3       LYS  24  12.515   1.158  -6.389
  203    H    ALA  25           HN       ALA  25  11.982   1.746   1.201
  204    HA   ALA  25           HA       ALA  25  14.768   2.368   0.855
  205   1HB   ALA  25          HB1       ALA  25  13.475   3.686   2.348
  206   2HB   ALA  25          HB2       ALA  25  14.512   2.737   3.413
  207   3HB   ALA  25          HB3       ALA  25  12.828   2.267   3.171
  208    H    LYS  26           HN       LYS  26  13.076  -0.329   2.448
  209    HA   LYS  26           HA       LYS  26  15.597  -1.520   3.422
  210   1HB   LYS  26          HB2       LYS  26  13.049  -1.477   4.328
  211   2HB   LYS  26          HB1       LYS  26  13.007  -2.994   3.427
  212   1HG   LYS  26          HG2       LYS  26  14.787  -3.924   4.714
  213   2HG   LYS  26          HG1       LYS  26  15.202  -2.357   5.407
  214   1HD   LYS  26          HD2       LYS  26  12.516  -2.676   6.068
  215   2HD   LYS  26          HD1       LYS  26  13.191  -4.291   6.277
  216   1HE   LYS  26          HE2       LYS  26  15.044  -2.361   7.358
  217   2HE   LYS  26          HE1       LYS  26  13.437  -2.092   8.060
  218   1HZ   LYS  26          HZ1       LYS  26  14.615  -3.812   9.283
  219   2HZ   LYS  26          HZ2       LYS  26  14.832  -4.714   7.860
  220   3HZ   LYS  26          HZ3       LYS  26  13.272  -4.476   8.491
  221    H    LEU  27           HN       LEU  27  13.921  -1.496   0.473
  222    HA   LEU  27           HA       LEU  27  14.267  -2.696  -1.520
  223   1HB   LEU  27          HB2       LEU  27  16.586  -3.018  -0.003
  224   2HB   LEU  27          HB1       LEU  27  16.137  -4.668  -0.430
  225    HG   LEU  27           HG       LEU  27  17.609  -3.677  -2.146
  226   1HD1  LEU  27          HD11      LEU  27  14.871  -3.786  -3.386
  227   2HD1  LEU  27          HD12      LEU  27  15.557  -5.230  -2.644
  228   3HD1  LEU  27          HD13      LEU  27  16.391  -4.448  -3.987
  229   1HD2  LEU  27          HD21      LEU  27  16.213  -1.343  -1.621
  230   2HD2  LEU  27          HD22      LEU  27  15.584  -1.825  -3.196
  231   3HD2  LEU  27          HD23      LEU  27  17.316  -1.585  -2.974
  232    H    MET  28           HN       MET  28  12.611  -3.995  -2.119
  233    HA   MET  28           HA       MET  28  11.621  -6.123  -0.315
  234   1HB   MET  28          HB2       MET  28  10.718  -4.797  -2.876
  235   2HB   MET  28          HB1       MET  28   9.897  -6.228  -2.255
  236   1HG   MET  28          HG2       MET  28   9.575  -5.036  -0.076
  237   2HG   MET  28          HG1       MET  28  10.262  -3.587  -0.812
  238   1HE   MET  28          HE1       MET  28   9.311  -2.042  -1.983
  239   2HE   MET  28          HE2       MET  28   7.731  -1.966  -2.758
  240   3HE   MET  28          HE3       MET  28   9.041  -2.856  -3.531
  241    HA   PRO  29           HA       PRO  29  14.087  -9.006  -2.756
  242   1HB   PRO  29          HB2       PRO  29  13.752 -11.136  -1.073
  243   2HB   PRO  29          HB1       PRO  29  14.920  -9.837  -0.764
  244   1HG   PRO  29          HG2       PRO  29  12.251 -10.307   0.444
  245   2HG   PRO  29          HG1       PRO  29  13.722  -9.646   1.172
  246   1HD   PRO  29          HD2       PRO  29  11.566  -8.141   0.342
  247   2HD   PRO  29          HD1       PRO  29  13.219  -7.521   0.546
  248    H    GLN  30           HN       GLN  30  13.466 -11.551  -3.251
  249    HA   GLN  30           HA       GLN  30  11.002 -11.466  -4.770
  250   1HB   GLN  30          HB2       GLN  30  13.160 -12.751  -5.238
  251   2HB   GLN  30          HB1       GLN  30  12.655 -13.884  -3.984
  252   1HG   GLN  30          HG2       GLN  30  11.801 -14.888  -5.918
  253   2HG   GLN  30          HG1       GLN  30  10.411 -13.974  -5.335
  254   1HE2  GLN  30          HE21      GLN  30   9.769 -12.056  -6.539
  255   2HE2  GLN  30          HE22      GLN  30  10.413 -11.710  -8.070
  256    H    LEU  31           HN       LEU  31   9.091 -11.393  -3.606
  257    HA   LEU  31           HA       LEU  31   8.724 -13.392  -1.394
  258   1HB   LEU  31          HB2       LEU  31   8.624 -10.643  -1.314
  259   2HB   LEU  31          HB1       LEU  31   6.926 -11.053  -1.559
  260    HG   LEU  31           HG       LEU  31   8.535 -12.523   0.515
  261   1HD1  LEU  31          HD11      LEU  31   7.626 -10.798   2.156
  262   2HD1  LEU  31          HD12      LEU  31   7.289  -9.775   0.760
  263   3HD1  LEU  31          HD13      LEU  31   8.948 -10.245   1.130
  264   1HD2  LEU  31          HD21      LEU  31   6.270 -12.639   1.576
  265   2HD2  LEU  31          HD22      LEU  31   6.307 -13.365  -0.031
  266   3HD2  LEU  31          HD23      LEU  31   5.613 -11.760   0.195
  Start of MODEL   32
    1   1H    SER   1           HT1      SER   1 -22.959   5.433   0.214
    2   2H    SER   1           HT2      SER   1 -24.604   5.736  -0.084
    3   3H    SER   1           HT3      SER   1 -23.412   6.650  -0.878
    4    HA   SER   1           HA       SER   1 -24.301   5.031  -2.416
    5   1HB   SER   1          HB2       SER   1 -21.521   4.547  -1.308
    6   2HB   SER   1          HB1       SER   1 -22.073   3.897  -2.849
    7    HG   SER   1           HG       SER   1 -21.178   5.810  -3.369
    8    H    GLY   2           HN       GLY   2 -22.463   3.210   0.089
    9   1HA   GLY   2          HA2       GLY   2 -24.616   1.136   0.008
   10   2HA   GLY   2          HA1       GLY   2 -22.914   0.675  -0.068
   11    H    SER   3           HN       SER   3 -22.279  -0.115   1.876
   12    HA   SER   3           HA       SER   3 -23.114   1.363   4.351
   13   1HB   SER   3          HB2       SER   3 -23.019  -1.620   3.807
   14   2HB   SER   3          HB1       SER   3 -23.265  -0.923   5.406
   15    HG   SER   3           HG       SER   3 -25.188  -0.114   4.763
   16    H    TRP   4           HN       TRP   4 -20.809  -1.089   3.075
   17    HA   TRP   4           HA       TRP   4 -18.573   0.325   4.404
   18   1HB   TRP   4          HB2       TRP   4 -19.943  -2.055   5.420
   19   2HB   TRP   4          HB1       TRP   4 -18.217  -2.333   5.202
   20    HD1  TRP   4           HD1      TRP   4 -20.475  -1.213   7.743
   21    HE1  TRP   4           HE1      TRP   4 -19.324   0.305   9.479
   22    HE3  TRP   4           HE3      TRP   4 -16.186  -0.072   5.212
   23    HZ2  TRP   4           HZ2      TRP   4 -16.903   1.804   9.758
   24    HZ3  TRP   4           HZ3      TRP   4 -14.477   1.401   6.235
   25    HH2  TRP   4           HH2      TRP   4 -14.829   2.339   8.504
   26    H    LEU   5           HN       LEU   5 -16.714  -1.832   4.157
   27    HA   LEU   5           HA       LEU   5 -15.394  -3.010   2.607
   28   1HB   LEU   5          HB2       LEU   5 -18.055  -3.435   1.854
   29   2HB   LEU   5          HB1       LEU   5 -17.277  -2.900   0.367
   30    HG   LEU   5           HG       LEU   5 -17.097  -5.314   0.501
   31   1HD1  LEU   5          HD11      LEU   5 -15.066  -3.795  -0.153
   32   2HD1  LEU   5          HD12      LEU   5 -14.808  -5.524   0.083
   33   3HD1  LEU   5          HD13      LEU   5 -14.369  -4.385   1.356
   34   1HD2  LEU   5          HD21      LEU   5 -17.352  -5.364   3.027
   35   2HD2  LEU   5          HD22      LEU   5 -15.641  -4.952   3.134
   36   3HD2  LEU   5          HD23      LEU   5 -16.138  -6.467   2.381
   37    H    ARG   6           HN       ARG   6 -17.332  -0.604   0.755
   38    HA   ARG   6           HA       ARG   6 -15.323   0.157  -1.089
   39   1HB   ARG   6          HB2       ARG   6 -17.795   0.727  -1.036
   40   2HB   ARG   6          HB1       ARG   6 -17.419   1.942   0.186
   41   1HG   ARG   6          HG2       ARG   6 -16.391   3.335  -1.315
   42   2HG   ARG   6          HG1       ARG   6 -15.757   2.001  -2.278
   43   1HD   ARG   6          HD2       ARG   6 -18.703   2.737  -2.227
   44   2HD   ARG   6          HD1       ARG   6 -17.564   3.355  -3.440
   45    HE   ARG   6           HE       ARG   6 -17.028   0.823  -3.810
   46   1HH1  ARG   6          HH21      ARG   6 -19.378   1.780  -5.368
   47   2HH1  ARG   6          HH22      ARG   6 -20.608   0.641  -4.932
   48   1HH2  ARG   6          HH11      ARG   6 -18.906  -0.519  -2.130
   49   2HH2  ARG   6          HH12      ARG   6 -20.339  -0.666  -3.091
   50    H    ASP   7           HN       ASP   7 -15.769   1.082   2.287
   51    HA   ASP   7           HA       ASP   7 -13.634   3.149   2.078
   52   1HB   ASP   7          HB2       ASP   7 -15.339   2.368   4.460
   53   2HB   ASP   7          HB1       ASP   7 -14.478   3.886   4.206
   54    H    ILE   8           HN       ILE   8 -14.299  -0.037   3.536
   55    HA   ILE   8           HA       ILE   8 -11.990  -0.058   5.273
   56    HB   ILE   8           HB       ILE   8 -14.195  -1.524   5.144
   57   1HG1  ILE   8          HG12      ILE   8 -12.757  -3.444   6.223
   58   2HG1  ILE   8          HG11      ILE   8 -11.430  -2.300   6.026
   59   1HG2  ILE   8          HG21      ILE   8 -13.937  -3.653   4.070
   60   2HG2  ILE   8          HG22      ILE   8 -12.251  -3.322   3.676
   61   3HG2  ILE   8          HG23      ILE   8 -13.537  -2.433   2.862
   62   1HD1  ILE   8          HD11      ILE   8 -13.868  -2.094   7.755
   63   2HD1  ILE   8          HD12      ILE   8 -13.145  -0.612   7.131
   64   3HD1  ILE   8          HD13      ILE   8 -12.192  -1.703   8.137
   65    H    TRP   9           HN       TRP   9 -12.484  -0.903   1.869
   66    HA   TRP   9           HA       TRP   9  -9.849  -2.166   1.567
   67   1HB   TRP   9          HB2       TRP   9 -12.161  -1.353  -0.170
   68   2HB   TRP   9          HB1       TRP   9 -10.613  -1.683  -0.941
   69    HD1  TRP   9           HD1      TRP   9 -11.190  -3.724   2.136
   70    HE1  TRP   9           HE1      TRP   9 -11.771  -6.152   1.489
   71    HE3  TRP   9           HE3      TRP   9 -11.966  -3.140  -2.879
   72    HZ2  TRP   9           HZ2      TRP   9 -12.473  -7.646  -0.846
   73    HZ3  TRP   9           HZ3      TRP   9 -12.590  -5.081  -4.288
   74    HH2  TRP   9           HH2      TRP   9 -12.844  -7.331  -3.279
   75    H    ASP  10           HN       ASP  10 -11.330   0.996   0.876
   76    HA   ASP  10           HA       ASP  10  -9.089   2.207  -0.442
   77   1HB   ASP  10          HB2       ASP  10 -11.584   3.074   0.985
   78   2HB   ASP  10          HB1       ASP  10 -10.379   4.302   0.592
   79    H    TRP  11           HN       TRP  11 -10.068   2.099   3.003
   80    HA   TRP  11           HA       TRP  11  -8.003   3.821   4.000
   81   1HB   TRP  11          HB2       TRP  11  -9.197   3.449   5.891
   82   2HB   TRP  11          HB1       TRP  11 -10.217   2.374   4.950
   83    HD1  TRP  11           HD1      TRP  11 -10.327  -0.026   5.744
   84    HE1  TRP  11           HE1      TRP  11  -8.953  -1.515   7.332
   85    HE3  TRP  11           HE3      TRP  11  -6.468   3.144   6.804
   86    HZ2  TRP  11           HZ2      TRP  11  -6.538  -1.382   8.853
   87    HZ3  TRP  11           HZ3      TRP  11  -4.646   2.435   8.327
   88    HH2  TRP  11           HH2      TRP  11  -4.677   0.180   9.352
   89    H    ILE  12           HN       ILE  12  -8.080   0.299   3.411
   90    HA   ILE  12           HA       ILE  12  -5.484  -0.249   4.577
   91    HB   ILE  12           HB       ILE  12  -7.431  -1.609   2.722
   92   1HG1  ILE  12          HG12      ILE  12  -7.831  -1.682   5.138
   93   2HG1  ILE  12          HG11      ILE  12  -7.398  -3.289   4.559
   94   1HG2  ILE  12          HG21      ILE  12  -4.591  -2.483   3.294
   95   2HG2  ILE  12          HG22      ILE  12  -5.378  -2.314   1.725
   96   3HG2  ILE  12          HG23      ILE  12  -5.851  -3.619   2.813
   97   1HD1  ILE  12          HD11      ILE  12  -4.972  -2.658   5.189
   98   2HD1  ILE  12          HD12      ILE  12  -6.085  -3.003   6.513
   99   3HD1  ILE  12          HD13      ILE  12  -5.691  -1.333   6.103
  100    H    CYS  13           HN       CYS  13  -6.581   0.737   1.345
  101    HA   CYS  13           HA       CYS  13  -4.081   0.293  -0.023
  102   1HB   CYS  13          HB2       CYS  13  -6.617   0.871  -0.742
  103   2HB   CYS  13          HB1       CYS  13  -5.926   2.492  -0.840
  104    HG   CYS  13           HG       CYS  13  -5.078   0.075  -2.603
  105    H    GLU  14           HN       GLU  14  -5.437   3.066   1.756
  106    HA   GLU  14           HA       GLU  14  -3.498   5.046   1.077
  107   1HB   GLU  14          HB2       GLU  14  -5.666   5.406   2.248
  108   2HB   GLU  14          HB1       GLU  14  -5.021   4.581   3.668
  109   1HG   GLU  14          HG2       GLU  14  -3.073   6.468   3.151
  110   2HG   GLU  14          HG1       GLU  14  -4.553   7.329   2.728
  111    H    VAL  15           HN       VAL  15  -3.565   2.714   3.798
  112    HA   VAL  15           HA       VAL  15  -0.927   3.503   4.772
  113    HB   VAL  15           HB       VAL  15  -2.755   2.615   6.202
  114   1HG1  VAL  15          HG11      VAL  15  -3.137   0.103   6.108
  115   2HG1  VAL  15          HG12      VAL  15  -2.314   0.116   4.550
  116   3HG1  VAL  15          HG13      VAL  15  -3.815   1.016   4.761
  117   1HG2  VAL  15          HG21      VAL  15  -1.357   1.384   7.613
  118   2HG2  VAL  15          HG22      VAL  15  -0.188   2.236   6.603
  119   3HG2  VAL  15          HG23      VAL  15  -0.574   0.548   6.272
  120    H    LEU  16           HN       LEU  16  -2.151   1.183   2.436
  121    HA   LEU  16           HA       LEU  16   0.030  -0.669   2.358
  122   1HB   LEU  16          HB2       LEU  16  -2.388  -0.449   1.183
  123   2HB   LEU  16          HB1       LEU  16  -1.386   0.123  -0.149
  124    HG   LEU  16           HG       LEU  16  -0.615  -2.387   1.311
  125   1HD1  LEU  16          HD11      LEU  16  -2.690  -2.152  -0.891
  126   2HD1  LEU  16          HD12      LEU  16  -2.966  -2.736   0.751
  127   3HD1  LEU  16          HD13      LEU  16  -1.962  -3.667  -0.359
  128   1HD2  LEU  16          HD21      LEU  16  -0.234  -1.219  -1.454
  129   2HD2  LEU  16          HD22      LEU  16   0.128  -2.908  -1.097
  130   3HD2  LEU  16          HD23      LEU  16   1.003  -1.623  -0.263
  131    H    SER  17           HN       SER  17  -0.543   2.341   0.475
  132    HA   SER  17           HA       SER  17   1.886   2.213  -1.057
  133   1HB   SER  17          HB2       SER  17   1.391   4.718  -1.283
  134   2HB   SER  17          HB1       SER  17   0.083   3.638  -1.751
  135    HG   SER  17           HG       SER  17   0.336   5.324   0.462
  136    H    ASP  18           HN       ASP  18   1.100   3.734   2.075
  137    HA   ASP  18           HA       ASP  18   3.613   5.039   2.520
  138   1HB   ASP  18          HB2       ASP  18   1.289   4.054   4.130
  139   2HB   ASP  18          HB1       ASP  18   2.761   4.478   5.007
  140    H    PHE  19           HN       PHE  19   2.487   1.723   3.146
  141    HA   PHE  19           HA       PHE  19   4.828   0.838   4.596
  142   1HB   PHE  19          HB2       PHE  19   2.383  -0.119   4.314
  143   2HB   PHE  19          HB1       PHE  19   3.078  -0.948   2.921
  144    HD1  PHE  19           HD1      PHE  19   3.401  -0.460   6.597
  145    HD2  PHE  19           HD2      PHE  19   4.538  -2.817   3.190
  146    HE1  PHE  19           HE1      PHE  19   4.404  -2.155   8.104
  147    HE2  PHE  19           HE2      PHE  19   5.540  -4.512   4.697
  148    HZ   PHE  19           HZ       PHE  19   5.473  -4.182   7.153
  149    H    LYS  20           HN       LYS  20   3.889   0.780   1.142
  150    HA   LYS  20           HA       LYS  20   6.048  -0.810   0.151
  151   1HB   LYS  20          HB2       LYS  20   3.853   0.166  -0.929
  152   2HB   LYS  20          HB1       LYS  20   4.881   1.541  -1.334
  153   1HG   LYS  20          HG2       LYS  20   6.243  -0.937  -1.960
  154   2HG   LYS  20          HG1       LYS  20   4.664  -0.896  -2.745
  155   1HD   LYS  20          HD2       LYS  20   6.229   1.624  -2.871
  156   2HD   LYS  20          HD1       LYS  20   6.882   0.272  -3.794
  157   1HE   LYS  20          HE2       LYS  20   3.943   0.761  -4.040
  158   2HE   LYS  20          HE1       LYS  20   5.028   1.914  -4.842
  159   1HZ   LYS  20          HZ1       LYS  20   5.388  -1.024  -5.066
  160   2HZ   LYS  20          HZ2       LYS  20   6.092   0.196  -6.020
  161   3HZ   LYS  20          HZ3       LYS  20   4.434  -0.146  -6.161
  162    H    THR  21           HN       THR  21   5.756   2.743   0.525
  163    HA   THR  21           HA       THR  21   8.341   3.462  -0.450
  164    HB   THR  21           HB       THR  21   6.628   4.736   1.718
  165    HG1  THR  21           HG1      THR  21   5.359   5.288   0.154
  166   1HG2  THR  21          HG21      THR  21   7.716   6.823   1.046
  167   2HG2  THR  21          HG22      THR  21   8.658   5.965  -0.172
  168   3HG2  THR  21          HG23      THR  21   8.935   5.650   1.541
  169    H    TRP  22           HN       TRP  22   7.231   2.563   2.824
  170    HA   TRP  22           HA       TRP  22   9.692   3.034   4.215
  171   1HB   TRP  22          HB2       TRP  22   7.493   2.710   5.280
  172   2HB   TRP  22          HB1       TRP  22   7.432   1.053   4.680
  173    HD1  TRP  22           HD1      TRP  22   9.113   3.244   7.298
  174    HE1  TRP  22           HE1      TRP  22  10.334   1.734   8.994
  175    HE3  TRP  22           HE3      TRP  22   8.606  -1.270   4.980
  176    HZ2  TRP  22           HZ2      TRP  22  11.004  -1.032   9.324
  177    HZ3  TRP  22           HZ3      TRP  22   9.541  -3.326   6.001
  178    HH2  TRP  22           HH2      TRP  22  10.738  -3.212   8.165
  179    H    LEU  23           HN       LEU  23   8.427   0.162   2.505
  180    HA   LEU  23           HA       LEU  23  10.495  -1.681   3.205
  181   1HB   LEU  23          HB2       LEU  23   8.270  -1.428   1.343
  182   2HB   LEU  23          HB1       LEU  23   9.636  -2.226   0.570
  183    HG   LEU  23           HG       LEU  23   8.329  -3.955   1.588
  184   1HD1  LEU  23          HD11      LEU  23   9.948  -5.014   2.900
  185   2HD1  LEU  23          HD12      LEU  23  10.430  -3.514   3.694
  186   3HD1  LEU  23          HD13      LEU  23  10.910  -3.822   2.025
  187   1HD2  LEU  23          HD21      LEU  23   7.721  -1.917   3.480
  188   2HD2  LEU  23          HD22      LEU  23   8.433  -3.262   4.370
  189   3HD2  LEU  23          HD23      LEU  23   7.014  -3.527   3.359
  190    H    LYS  24           HN       LYS  24  10.194   0.537   0.406
  191    HA   LYS  24           HA       LYS  24  12.674  -0.153  -0.859
  192   1HB   LYS  24          HB2       LYS  24  10.641   1.159  -1.722
  193   2HB   LYS  24          HB1       LYS  24  11.303   2.551  -0.867
  194   1HG   LYS  24          HG2       LYS  24  13.240   1.100  -2.569
  195   2HG   LYS  24          HG1       LYS  24  11.938   1.906  -3.444
  196   1HD   LYS  24          HD2       LYS  24  12.823   3.944  -3.048
  197   2HD   LYS  24          HD1       LYS  24  12.991   3.603  -1.325
  198   1HE   LYS  24          HE2       LYS  24  15.085   2.328  -1.806
  199   2HE   LYS  24          HE1       LYS  24  14.935   2.782  -3.515
  200   1HZ   LYS  24          HZ1       LYS  24  14.982   5.089  -2.925
  201   2HZ   LYS  24          HZ2       LYS  24  16.328   4.343  -2.206
  202   3HZ   LYS  24          HZ3       LYS  24  14.965   4.729  -1.267
  203    H    ALA  25           HN       ALA  25  11.914   2.014   1.840
  204    HA   ALA  25           HA       ALA  25  14.252   3.627   1.899
  205   1HB   ALA  25          HB1       ALA  25  12.134   3.766   3.301
  206   2HB   ALA  25          HB2       ALA  25  13.631   3.987   4.207
  207   3HB   ALA  25          HB3       ALA  25  12.779   2.444   4.274
  208    H    LYS  26           HN       LYS  26  13.699   0.308   3.044
  209    HA   LYS  26           HA       LYS  26  16.529   0.120   3.978
  210   1HB   LYS  26          HB2       LYS  26  14.162  -0.683   5.075
  211   2HB   LYS  26          HB1       LYS  26  14.643  -2.158   4.235
  212   1HG   LYS  26          HG2       LYS  26  16.562  -2.428   5.516
  213   2HG   LYS  26          HG1       LYS  26  16.690  -0.706   5.875
  214   1HD   LYS  26          HD2       LYS  26  14.373  -2.330   6.915
  215   2HD   LYS  26          HD1       LYS  26  15.910  -2.293   7.779
  216   1HE   LYS  26          HE2       LYS  26  14.538   0.273   6.942
  217   2HE   LYS  26          HE1       LYS  26  14.138  -0.532   8.472
  218   1HZ   LYS  26          HZ1       LYS  26  15.916   0.871   9.006
  219   2HZ   LYS  26          HZ2       LYS  26  16.762   0.513   7.577
  220   3HZ   LYS  26          HZ3       LYS  26  16.647  -0.647   8.813
  221    H    LEU  27           HN       LEU  27  14.239  -1.247   1.622
  222    HA   LEU  27           HA       LEU  27  16.269  -3.136   0.575
  223   1HB   LEU  27          HB2       LEU  27  13.361  -2.727   0.512
  224   2HB   LEU  27          HB1       LEU  27  14.016  -3.189  -1.056
  225    HG   LEU  27           HG       LEU  27  15.336  -4.982   0.370
  226   1HD1  LEU  27          HD11      LEU  27  14.680  -4.297   2.569
  227   2HD1  LEU  27          HD12      LEU  27  13.787  -5.779   2.233
  228   3HD1  LEU  27          HD13      LEU  27  12.980  -4.216   2.109
  229   1HD2  LEU  27          HD21      LEU  27  12.382  -5.473   0.029
  230   2HD2  LEU  27          HD22      LEU  27  13.730  -6.563  -0.300
  231   3HD2  LEU  27          HD23      LEU  27  13.408  -5.207  -1.381
  232    H    MET  28           HN       MET  28  15.751  -3.114  -2.117
  233    HA   MET  28           HA       MET  28  15.839  -0.443  -3.279
  234   1HB   MET  28          HB2       MET  28  18.251  -1.696  -2.294
  235   2HB   MET  28          HB1       MET  28  18.355  -1.513  -4.045
  236   1HG   MET  28          HG2       MET  28  18.201   0.804  -3.954
  237   2HG   MET  28          HG1       MET  28  17.345   0.789  -2.411
  238   1HE   MET  28          HE1       MET  28  18.527   2.047  -0.642
  239   2HE   MET  28          HE2       MET  28  19.811   1.187   0.205
  240   3HE   MET  28          HE3       MET  28  18.307   0.354  -0.179
  241    HA   PRO  29           HA       PRO  29  16.300  -3.625  -6.761
  242   1HB   PRO  29          HB2       PRO  29  17.158  -6.165  -6.232
  243   2HB   PRO  29          HB1       PRO  29  18.271  -4.817  -6.528
  244   1HG   PRO  29          HG2       PRO  29  17.529  -6.129  -3.985
  245   2HG   PRO  29          HG1       PRO  29  19.051  -5.369  -4.466
  246   1HD   PRO  29          HD2       PRO  29  17.115  -4.237  -2.818
  247   2HD   PRO  29          HD1       PRO  29  18.425  -3.363  -3.634
  248    H    GLN  30           HN       GLN  30  13.948  -3.272  -5.536
  249    HA   GLN  30           HA       GLN  30  12.507  -5.806  -5.961
  250   1HB   GLN  30          HB2       GLN  30  13.512  -5.598  -3.538
  251   2HB   GLN  30          HB1       GLN  30  12.187  -4.464  -3.281
  252   1HG   GLN  30          HG2       GLN  30  11.308  -6.567  -2.616
  253   2HG   GLN  30          HG1       GLN  30  10.655  -6.302  -4.233
  254   1HE2  GLN  30          HE21      GLN  30  13.307  -8.008  -2.504
  255   2HE2  GLN  30          HE22      GLN  30  13.499  -9.215  -3.680
  256    H    LEU  31           HN       LEU  31  12.281  -3.451  -7.423
  257    HA   LEU  31           HA       LEU  31   9.726  -2.219  -6.438
  258   1HB   LEU  31          HB2       LEU  31  12.224  -1.198  -7.576
  259   2HB   LEU  31          HB1       LEU  31  10.811  -0.611  -8.451
  260    HG   LEU  31           HG       LEU  31  11.346   0.925  -6.624
  261   1HD1  LEU  31          HD11      LEU  31   8.944  -0.599  -5.647
  262   2HD1  LEU  31          HD12      LEU  31   8.907   0.186  -7.226
  263   3HD1  LEU  31          HD13      LEU  31   9.178   1.144  -5.770
  264   1HD2  LEU  31          HD21      LEU  31  12.489  -0.792  -5.197
  265   2HD2  LEU  31          HD22      LEU  31  10.904  -1.441  -4.778
  266   3HD2  LEU  31          HD23      LEU  31  11.338   0.199  -4.301
  Start of MODEL   33
    1   1H    SER   1           HT1      SER   1 -20.429  -7.806   0.502
    2   2H    SER   1           HT2      SER   1 -19.955  -7.570  -1.112
    3   3H    SER   1           HT3      SER   1 -21.584  -7.388  -0.665
    4    HA   SER   1           HA       SER   1 -19.324  -5.639   0.171
    5   1HB   SER   1          HB2       SER   1 -20.000  -5.341  -2.142
    6   2HB   SER   1          HB1       SER   1 -21.703  -5.360  -1.696
    7    HG   SER   1           HG       SER   1 -21.154  -3.239  -1.855
    8    H    GLY   2           HN       GLY   2 -22.927  -5.679   0.037
    9   1HA   GLY   2          HA2       GLY   2 -24.512  -5.063   1.653
   10   2HA   GLY   2          HA1       GLY   2 -23.302  -5.481   2.868
   11    H    SER   3           HN       SER   3 -23.528  -2.941   0.347
   12    HA   SER   3           HA       SER   3 -23.154  -0.617   0.474
   13   1HB   SER   3          HB2       SER   3 -24.377  -1.299   3.158
   14   2HB   SER   3          HB1       SER   3 -24.069   0.359   2.654
   15    HG   SER   3           HG       SER   3 -25.763  -1.577   1.472
   16    H    TRP   4           HN       TRP   4 -20.860  -2.287   1.079
   17    HA   TRP   4           HA       TRP   4 -19.239  -0.329   2.574
   18   1HB   TRP   4          HB2       TRP   4 -20.458  -2.442   3.915
   19   2HB   TRP   4          HB1       TRP   4 -18.830  -3.047   3.609
   20    HD1  TRP   4           HD1      TRP   4 -20.506   0.158   4.994
   21    HE1  TRP   4           HE1      TRP   4 -18.993   1.120   6.845
   22    HE3  TRP   4           HE3      TRP   4 -16.607  -3.140   4.760
   23    HZ2  TRP   4           HZ2      TRP   4 -16.468   0.569   8.064
   24    HZ3  TRP   4           HZ3      TRP   4 -14.664  -2.895   6.278
   25    HH2  TRP   4           HH2      TRP   4 -14.590  -1.047   7.928
   26    H    LEU   5           HN       LEU   5 -17.023  -2.113   2.966
   27    HA   LEU   5           HA       LEU   5 -15.250  -3.197   1.865
   28   1HB   LEU   5          HB2       LEU   5 -17.621  -3.900   0.381
   29   2HB   LEU   5          HB1       LEU   5 -16.286  -3.652  -0.743
   30    HG   LEU   5           HG       LEU   5 -15.839  -5.252   1.761
   31   1HD1  LEU   5          HD11      LEU   5 -17.346  -6.081  -0.704
   32   2HD1  LEU   5          HD12      LEU   5 -17.669  -6.476   0.985
   33   3HD1  LEU   5          HD13      LEU   5 -16.334  -7.257   0.136
   34   1HD2  LEU   5          HD21      LEU   5 -14.733  -5.591  -1.037
   35   2HD2  LEU   5          HD22      LEU   5 -14.081  -6.240   0.468
   36   3HD2  LEU   5          HD23      LEU   5 -14.003  -4.507   0.147
   37    H    ARG   6           HN       ARG   6 -17.054  -0.862  -0.189
   38    HA   ARG   6           HA       ARG   6 -14.819  -0.060  -1.799
   39   1HB   ARG   6          HB2       ARG   6 -17.561   0.819  -1.157
   40   2HB   ARG   6          HB1       ARG   6 -16.484   2.131  -1.634
   41   1HG   ARG   6          HG2       ARG   6 -16.586  -0.421  -3.232
   42   2HG   ARG   6          HG1       ARG   6 -17.774   0.853  -3.501
   43   1HD   ARG   6          HD2       ARG   6 -15.120   2.011  -3.365
   44   2HD   ARG   6          HD1       ARG   6 -15.171   0.728  -4.591
   45    HE   ARG   6           HE       ARG   6 -17.093   1.886  -5.625
   46   1HH1  ARG   6          HH11      ARG   6 -18.178   3.495  -3.446
   47   2HH1  ARG   6          HH12      ARG   6 -17.535   5.076  -3.742
   48   1HH2  ARG   6          HH21      ARG   6 -15.045   3.945  -5.889
   49   2HH2  ARG   6          HH22      ARG   6 -15.755   5.332  -5.135
   50    H    ASP   7           HN       ASP   7 -15.534   0.514   1.527
   51    HA   ASP   7           HA       ASP   7 -13.865   2.974   1.668
   52   1HB   ASP   7          HB2       ASP   7 -15.357   1.492   3.858
   53   2HB   ASP   7          HB1       ASP   7 -14.814   3.170   3.881
   54    H    ILE   8           HN       ILE   8 -13.973  -0.399   2.861
   55    HA   ILE   8           HA       ILE   8 -11.659  -0.293   4.531
   56    HB   ILE   8           HB       ILE   8 -13.487  -2.094   4.284
   57   1HG1  ILE   8          HG12      ILE   8 -10.583  -2.981   4.353
   58   2HG1  ILE   8          HG11      ILE   8 -11.462  -2.296   5.716
   59   1HG2  ILE   8          HG21      ILE   8 -11.680  -3.525   2.407
   60   2HG2  ILE   8          HG22      ILE   8 -12.677  -2.256   1.705
   61   3HG2  ILE   8          HG23      ILE   8 -13.434  -3.599   2.555
   62   1HD1  ILE   8          HD11      ILE   8 -12.041  -4.425   6.217
   63   2HD1  ILE   8          HD12      ILE   8 -11.549  -5.015   4.629
   64   3HD1  ILE   8          HD13      ILE   8 -13.152  -4.313   4.852
   65    H    TRP   9           HN       TRP   9 -11.965  -0.541   1.024
   66    HA   TRP   9           HA       TRP   9  -9.333  -1.543   0.450
   67   1HB   TRP   9          HB2       TRP   9 -11.265   0.236  -1.075
   68   2HB   TRP   9          HB1       TRP   9  -9.811  -0.455  -1.790
   69    HD1  TRP   9           HD1      TRP   9 -10.287  -3.258  -0.001
   70    HE1  TRP   9           HE1      TRP   9 -11.967  -4.950  -0.973
   71    HE3  TRP   9           HE3      TRP   9 -12.879  -0.207  -3.176
   72    HZ2  TRP   9           HZ2      TRP   9 -14.124  -5.007  -2.849
   73    HZ3  TRP   9           HZ3      TRP   9 -14.740  -1.110  -4.542
   74    HH2  TRP   9           HH2      TRP   9 -15.365  -3.503  -4.383
   75    H    ASP  10           HN       ASP  10 -10.623   1.788   0.690
   76    HA   ASP  10           HA       ASP  10  -8.265   3.244   0.087
   77   1HB   ASP  10          HB2       ASP  10 -10.873   3.733   0.908
   78   2HB   ASP  10          HB1       ASP  10  -9.919   4.323   2.269
   79    H    TRP  11           HN       TRP  11  -9.443   2.003   3.221
   80    HA   TRP  11           HA       TRP  11  -7.316   2.965   4.869
   81   1HB   TRP  11          HB2       TRP  11  -9.217   2.217   5.999
   82   2HB   TRP  11          HB1       TRP  11  -9.433   0.836   4.934
   83    HD1  TRP  11           HD1      TRP  11  -6.037   1.365   6.560
   84    HE1  TRP  11           HE1      TRP  11  -5.638  -0.477   8.311
   85    HE3  TRP  11           HE3      TRP  11 -10.653  -0.803   6.618
   86    HZ2  TRP  11           HZ2      TRP  11  -7.080  -2.596   9.569
   87    HZ3  TRP  11           HZ3      TRP  11 -11.109  -2.736   8.096
   88    HH2  TRP  11           HH2      TRP  11  -9.333  -3.634   9.572
   89    H    ILE  12           HN       ILE  12  -7.758  -0.234   3.293
   90    HA   ILE  12           HA       ILE  12  -5.091  -1.133   4.081
   91    HB   ILE  12           HB       ILE  12  -7.181  -2.209   2.163
   92   1HG1  ILE  12          HG12      ILE  12  -8.090  -2.055   4.389
   93   2HG1  ILE  12          HG11      ILE  12  -7.646  -3.739   4.136
   94   1HG2  ILE  12          HG21      ILE  12  -5.992  -4.409   2.669
   95   2HG2  ILE  12          HG22      ILE  12  -4.680  -3.443   3.342
   96   3HG2  ILE  12          HG23      ILE  12  -5.104  -3.288   1.637
   97   1HD1  ILE  12          HD11      ILE  12  -6.790  -3.218   6.283
   98   2HD1  ILE  12          HD12      ILE  12  -6.186  -1.649   5.747
   99   3HD1  ILE  12          HD13      ILE  12  -5.390  -3.129   5.213
  100    H    CYS  13           HN       CYS  13  -5.961   1.108   1.780
  101    HA   CYS  13           HA       CYS  13  -3.836   0.222  -0.128
  102   1HB   CYS  13          HB2       CYS  13  -6.171   0.573  -0.973
  103   2HB   CYS  13          HB1       CYS  13  -6.066   2.258  -0.462
  104    HG   CYS  13           HG       CYS  13  -5.143   1.392  -3.078
  105    H    GLU  14           HN       GLU  14  -5.118   3.111   1.572
  106    HA   GLU  14           HA       GLU  14  -2.778   4.739   0.903
  107   1HB   GLU  14          HB2       GLU  14  -5.425   5.086   1.841
  108   2HB   GLU  14          HB1       GLU  14  -4.379   5.702   3.120
  109   1HG   GLU  14          HG2       GLU  14  -4.706   7.562   1.687
  110   2HG   GLU  14          HG1       GLU  14  -3.117   6.943   1.237
  111    H    VAL  15           HN       VAL  15  -3.985   3.124   3.882
  112    HA   VAL  15           HA       VAL  15  -1.815   3.975   5.580
  113    HB   VAL  15           HB       VAL  15  -3.592   1.509   5.697
  114   1HG1  VAL  15          HG11      VAL  15  -3.115   1.571   8.115
  115   2HG1  VAL  15          HG12      VAL  15  -2.037   2.945   7.872
  116   3HG1  VAL  15          HG13      VAL  15  -1.628   1.371   7.190
  117   1HG2  VAL  15          HG21      VAL  15  -3.928   4.353   6.677
  118   2HG2  VAL  15          HG22      VAL  15  -4.852   3.013   7.355
  119   3HG2  VAL  15          HG23      VAL  15  -5.019   3.424   5.649
  120    H    LEU  16           HN       LEU  16  -2.159   1.324   3.273
  121    HA   LEU  16           HA       LEU  16   0.283  -0.041   4.188
  122   1HB   LEU  16          HB2       LEU  16  -2.019  -0.533   2.502
  123   2HB   LEU  16          HB1       LEU  16  -0.539  -0.950   1.638
  124    HG   LEU  16           HG       LEU  16  -0.766  -1.825   4.484
  125   1HD1  LEU  16          HD11      LEU  16  -2.032  -3.826   3.843
  126   2HD1  LEU  16          HD12      LEU  16  -2.170  -3.228   2.189
  127   3HD1  LEU  16          HD13      LEU  16  -2.979  -2.378   3.506
  128   1HD2  LEU  16          HD21      LEU  16   0.909  -2.302   2.228
  129   2HD2  LEU  16          HD22      LEU  16   0.090  -3.819   2.600
  130   3HD2  LEU  16          HD23      LEU  16   1.042  -3.003   3.840
  131    H    SER  17           HN       SER  17  -0.561   2.448   1.869
  132    HA   SER  17           HA       SER  17   1.615   2.141   0.028
  133   1HB   SER  17          HB2       SER  17  -0.215   4.361   0.913
  134   2HB   SER  17          HB1       SER  17   1.112   4.720  -0.187
  135    HG   SER  17           HG       SER  17  -1.172   3.143  -0.552
  136    H    ASP  18           HN       ASP  18   1.319   4.575   2.674
  137    HA   ASP  18           HA       ASP  18   4.031   5.417   2.623
  138   1HB   ASP  18          HB2       ASP  18   3.516   6.398   4.778
  139   2HB   ASP  18          HB1       ASP  18   2.060   6.485   3.789
  140    H    PHE  19           HN       PHE  19   2.570   2.549   4.051
  141    HA   PHE  19           HA       PHE  19   4.883   1.866   5.714
  142   1HB   PHE  19          HB2       PHE  19   2.391   1.277   6.024
  143   2HB   PHE  19          HB1       PHE  19   2.642   0.064   4.769
  144    HD1  PHE  19           HD1      PHE  19   3.350   1.022   8.232
  145    HD2  PHE  19           HD2      PHE  19   4.199  -1.828   5.132
  146    HE1  PHE  19           HE1      PHE  19   4.315  -0.522   9.916
  147    HE2  PHE  19           HE2      PHE  19   5.164  -3.372   6.816
  148    HZ   PHE  19           HZ       PHE  19   5.223  -2.719   9.208
  149    H    LYS  20           HN       LYS  20   3.668   0.988   2.475
  150    HA   LYS  20           HA       LYS  20   5.748  -1.067   2.091
  151   1HB   LYS  20          HB2       LYS  20   3.318  -0.999   1.204
  152   2HB   LYS  20          HB1       LYS  20   3.927   0.147   0.008
  153   1HG   LYS  20          HG2       LYS  20   5.642  -1.522  -0.679
  154   2HG   LYS  20          HG1       LYS  20   4.948  -2.672   0.463
  155   1HD   LYS  20          HD2       LYS  20   2.800  -1.646  -1.097
  156   2HD   LYS  20          HD1       LYS  20   4.092  -2.082  -2.214
  157   1HE   LYS  20          HE2       LYS  20   2.904  -4.114  -1.959
  158   2HE   LYS  20          HE1       LYS  20   4.226  -4.290  -0.790
  159   1HZ   LYS  20          HZ1       LYS  20   2.263  -4.753   0.404
  160   2HZ   LYS  20          HZ2       LYS  20   1.433  -3.431  -0.269
  161   3HZ   LYS  20          HZ3       LYS  20   2.686  -3.171   0.851
  162    H    THR  21           HN       THR  21   5.040   2.219   0.853
  163    HA   THR  21           HA       THR  21   7.123   2.468  -1.046
  164    HB   THR  21           HB       THR  21   6.016   4.546   0.878
  165    HG1  THR  21           HG1      THR  21   5.118   3.687  -1.678
  166   1HG2  THR  21          HG21      THR  21   6.771   6.192  -0.599
  167   2HG2  THR  21          HG22      THR  21   6.909   5.062  -1.946
  168   3HG2  THR  21          HG23      THR  21   8.096   5.029  -0.643
  169    H    TRP  22           HN       TRP  22   7.202   3.197   2.467
  170    HA   TRP  22           HA       TRP  22   9.962   4.006   2.564
  171   1HB   TRP  22          HB2       TRP  22   8.234   4.483   4.282
  172   2HB   TRP  22          HB1       TRP  22   8.144   2.764   4.663
  173    HD1  TRP  22           HD1      TRP  22  10.233   5.857   5.238
  174    HE1  TRP  22           HE1      TRP  22  12.122   5.315   6.908
  175    HE3  TRP  22           HE3      TRP  22   9.754   0.785   5.494
  176    HZ2  TRP  22           HZ2      TRP  22  13.276   3.025   8.186
  177    HZ3  TRP  22           HZ3      TRP  22  11.253  -0.553   6.940
  178    HH2  TRP  22           HH2      TRP  22  13.010   0.558   8.285
  179    H    LEU  23           HN       LEU  23   8.351   0.857   3.128
  180    HA   LEU  23           HA       LEU  23  10.660  -0.650   3.868
  181   1HB   LEU  23          HB2       LEU  23   7.883  -1.065   3.091
  182   2HB   LEU  23          HB1       LEU  23   8.912  -2.328   2.422
  183    HG   LEU  23           HG       LEU  23   8.214  -3.091   4.584
  184   1HD1  LEU  23          HD11      LEU  23  10.908  -1.965   5.270
  185   2HD1  LEU  23          HD12      LEU  23  10.770  -3.079   3.910
  186   3HD1  LEU  23          HD13      LEU  23  10.281  -3.593   5.524
  187   1HD2  LEU  23          HD21      LEU  23   8.307  -0.289   5.209
  188   2HD2  LEU  23          HD22      LEU  23   9.295  -1.164   6.378
  189   3HD2  LEU  23          HD23      LEU  23   7.601  -1.599   6.153
  190    H    LYS  24           HN       LYS  24   9.235   0.020   0.657
  191    HA   LYS  24           HA       LYS  24  10.948  -1.629  -0.920
  192   1HB   LYS  24          HB2       LYS  24   8.840  -0.455  -1.615
  193   2HB   LYS  24          HB1       LYS  24   9.723   1.071  -1.586
  194   1HG   LYS  24          HG2       LYS  24  11.288   0.204  -3.289
  195   2HG   LYS  24          HG1       LYS  24  10.407  -1.324  -3.321
  196   1HD   LYS  24          HD2       LYS  24   9.526  -0.107  -5.153
  197   2HD   LYS  24          HD1       LYS  24   8.326   0.096  -3.877
  198   1HE   LYS  24          HE2       LYS  24   8.576   2.317  -4.539
  199   2HE   LYS  24          HE1       LYS  24   9.849   2.235  -3.306
  200   1HZ   LYS  24          HZ1       LYS  24  11.426   1.594  -5.033
  201   2HZ   LYS  24          HZ2       LYS  24  10.727   3.100  -5.390
  202   3HZ   LYS  24          HZ3       LYS  24  10.212   1.704  -6.211
  203    H    ALA  25           HN       ALA  25  11.341   1.748   0.192
  204    HA   ALA  25           HA       ALA  25  13.791   2.306  -1.200
  205   1HB   ALA  25          HB1       ALA  25  12.311   3.373   1.192
  206   2HB   ALA  25          HB2       ALA  25  12.634   4.159  -0.353
  207   3HB   ALA  25          HB3       ALA  25  13.925   3.984   0.835
  208    H    LYS  26           HN       LYS  26  13.109   0.814   1.958
  209    HA   LYS  26           HA       LYS  26  15.924   0.720   2.763
  210   1HB   LYS  26          HB2       LYS  26  13.707   0.805   4.155
  211   2HB   LYS  26          HB1       LYS  26  13.685  -0.941   3.904
  212   1HG   LYS  26          HG2       LYS  26  16.171  -0.836   4.712
  213   2HG   LYS  26          HG1       LYS  26  15.704   0.726   5.388
  214   1HD   LYS  26          HD2       LYS  26  14.799  -0.340   7.150
  215   2HD   LYS  26          HD1       LYS  26  13.639  -1.102   6.063
  216   1HE   LYS  26          HE2       LYS  26  14.707  -2.961   7.052
  217   2HE   LYS  26          HE1       LYS  26  15.628  -2.759   5.549
  218   1HZ   LYS  26          HZ1       LYS  26  17.147  -2.879   7.406
  219   2HZ   LYS  26          HZ2       LYS  26  16.329  -1.628   8.212
  220   3HZ   LYS  26          HZ3       LYS  26  17.171  -1.306   6.769
  221    H    LEU  27           HN       LEU  27  13.686  -1.413   1.058
  222    HA   LEU  27           HA       LEU  27  15.147  -3.876   1.407
  223   1HB   LEU  27          HB2       LEU  27  12.781  -2.909   0.151
  224   2HB   LEU  27          HB1       LEU  27  13.714  -3.745  -1.089
  225    HG   LEU  27           HG       LEU  27  14.011  -5.534   0.880
  226   1HD1  LEU  27          HD11      LEU  27  12.700  -4.113   2.470
  227   2HD1  LEU  27          HD12      LEU  27  11.990  -5.710   2.227
  228   3HD1  LEU  27          HD13      LEU  27  11.293  -4.303   1.424
  229   1HD2  LEU  27          HD21      LEU  27  13.053  -5.994  -1.338
  230   2HD2  LEU  27          HD22      LEU  27  11.534  -5.240  -0.852
  231   3HD2  LEU  27          HD23      LEU  27  12.062  -6.737  -0.083
  232    H    MET  28           HN       MET  28  15.234  -1.339  -1.108
  233    HA   MET  28           HA       MET  28  16.768  -0.938  -2.855
  234   1HB   MET  28          HB2       MET  28  18.346  -2.192  -0.614
  235   2HB   MET  28          HB1       MET  28  19.152  -1.761  -2.123
  236   1HG   MET  28          HG2       MET  28  18.422   0.553  -1.906
  237   2HG   MET  28          HG1       MET  28  17.480   0.153  -0.470
  238   1HE   MET  28          HE1       MET  28  18.992  -1.269   1.713
  239   2HE   MET  28          HE2       MET  28  18.068   0.229   1.616
  240   3HE   MET  28          HE3       MET  28  19.654   0.228   2.384
  241    HA   PRO  29           HA       PRO  29  16.309  -5.268  -4.434
  242   1HB   PRO  29          HB2       PRO  29  14.801  -4.617  -6.622
  243   2HB   PRO  29          HB1       PRO  29  14.100  -4.943  -5.025
  244   1HG   PRO  29          HG2       PRO  29  14.592  -2.349  -6.379
  245   2HG   PRO  29          HG1       PRO  29  13.267  -2.837  -5.315
  246   1HD   PRO  29          HD2       PRO  29  15.401  -1.285  -4.536
  247   2HD   PRO  29          HD1       PRO  29  14.402  -2.254  -3.431
  248    H    GLN  30           HN       GLN  30  18.714  -4.295  -4.723
  249    HA   GLN  30           HA       GLN  30  19.372  -4.597  -7.575
  250   1HB   GLN  30          HB2       GLN  30  20.422  -2.385  -7.743
  251   2HB   GLN  30          HB1       GLN  30  18.732  -2.203  -7.275
  252   1HG   GLN  30          HG2       GLN  30  20.067  -2.461  -4.839
  253   2HG   GLN  30          HG1       GLN  30  21.142  -1.454  -5.808
  254   1HE2  GLN  30          HE21      GLN  30  20.583   0.738  -5.963
  255   2HE2  GLN  30          HE22      GLN  30  19.069   1.377  -5.542
  256    H    LEU  31           HN       LEU  31  20.001  -6.031  -5.071
  257    HA   LEU  31           HA       LEU  31  22.937  -6.113  -5.347
  258   1HB   LEU  31          HB2       LEU  31  22.084  -4.283  -3.651
  259   2HB   LEU  31          HB1       LEU  31  21.806  -5.666  -2.593
  260    HG   LEU  31           HG       LEU  31  24.436  -5.612  -3.964
  261   1HD1  LEU  31          HD11      LEU  31  25.398  -3.931  -2.544
  262   2HD1  LEU  31          HD12      LEU  31  23.900  -3.763  -1.627
  263   3HD1  LEU  31          HD13      LEU  31  23.979  -3.204  -3.298
  264   1HD2  LEU  31          HD21      LEU  31  23.489  -6.133  -1.127
  265   2HD2  LEU  31          HD22      LEU  31  25.149  -6.343  -1.684
  266   3HD2  LEU  31          HD23      LEU  31  23.864  -7.354  -2.344
  Start of MODEL   34
    1   1H    SER   1           HT1      SER   1 -17.126   6.498   2.207
    2   2H    SER   1           HT2      SER   1 -17.293   8.129   1.757
    3   3H    SER   1           HT3      SER   1 -18.669   7.201   2.122
    4    HA   SER   1           HA       SER   1 -16.531   7.942   4.063
    5   1HB   SER   1          HB2       SER   1 -19.388   8.915   3.719
    6   2HB   SER   1          HB1       SER   1 -18.215   9.512   4.890
    7    HG   SER   1           HG       SER   1 -18.226  10.875   3.112
    8    H    GLY   2           HN       GLY   2 -16.687   5.449   4.356
    9   1HA   GLY   2          HA2       GLY   2 -17.293   3.770   5.896
   10   2HA   GLY   2          HA1       GLY   2 -18.441   4.900   6.614
   11    H    SER   3           HN       SER   3 -17.985   2.596   3.958
   12    HA   SER   3           HA       SER   3 -20.967   2.347   3.795
   13   1HB   SER   3          HB2       SER   3 -19.722   3.704   1.953
   14   2HB   SER   3          HB1       SER   3 -19.142   2.137   1.400
   15    HG   SER   3           HG       SER   3 -21.635   3.271   1.227
   16    H    TRP   4           HN       TRP   4 -18.175   0.717   2.211
   17    HA   TRP   4           HA       TRP   4 -18.590  -1.753   3.724
   18   1HB   TRP   4          HB2       TRP   4 -20.328  -1.263   1.658
   19   2HB   TRP   4          HB1       TRP   4 -19.068  -2.181   0.837
   20    HD1  TRP   4           HD1      TRP   4 -21.958  -3.378   1.347
   21    HE1  TRP   4           HE1      TRP   4 -22.218  -5.527   2.743
   22    HE3  TRP   4           HE3      TRP   4 -17.545  -3.301   3.948
   23    HZ2  TRP   4           HZ2      TRP   4 -20.760  -7.016   4.694
   24    HZ3  TRP   4           HZ3      TRP   4 -17.018  -5.100   5.561
   25    HH2  TRP   4           HH2      TRP   4 -18.616  -6.956   5.940
   26    H    LEU   5           HN       LEU   5 -17.575  -3.360   1.373
   27    HA   LEU   5           HA       LEU   5 -14.780  -3.163   1.850
   28   1HB   LEU   5          HB2       LEU   5 -14.620  -4.865   0.192
   29   2HB   LEU   5          HB1       LEU   5 -16.211  -5.085   0.911
   30    HG   LEU   5           HG       LEU   5 -15.989  -3.301  -1.487
   31   1HD1  LEU   5          HD11      LEU   5 -16.178  -5.242  -2.987
   32   2HD1  LEU   5          HD12      LEU   5 -16.010  -6.331  -1.611
   33   3HD1  LEU   5          HD13      LEU   5 -14.661  -5.298  -2.088
   34   1HD2  LEU   5          HD21      LEU   5 -18.177  -3.434  -0.621
   35   2HD2  LEU   5          HD22      LEU   5 -18.019  -5.148  -0.237
   36   3HD2  LEU   5          HD23      LEU   5 -18.192  -4.633  -1.915
   37    H    ARG   6           HN       ARG   6 -16.819  -1.454  -0.461
   38    HA   ARG   6           HA       ARG   6 -14.620  -0.519  -2.154
   39   1HB   ARG   6          HB2       ARG   6 -17.536   0.194  -1.745
   40   2HB   ARG   6          HB1       ARG   6 -16.519   1.086  -2.878
   41   1HG   ARG   6          HG2       ARG   6 -16.707  -0.546  -4.415
   42   2HG   ARG   6          HG1       ARG   6 -16.145  -1.753  -3.259
   43   1HD   ARG   6          HD2       ARG   6 -18.320  -2.288  -2.557
   44   2HD   ARG   6          HD1       ARG   6 -18.981  -0.735  -3.107
   45    HE   ARG   6           HE       ARG   6 -18.621  -1.529  -5.450
   46   1HH1  ARG   6          HH21      ARG   6 -16.790  -3.833  -4.532
   47   2HH1  ARG   6          HH22      ARG   6 -17.828  -5.192  -4.798
   48   1HH2  ARG   6          HH11      ARG   6 -20.710  -3.267  -5.073
   49   2HH2  ARG   6          HH12      ARG   6 -20.057  -4.871  -5.105
   50    H    ASP   7           HN       ASP   7 -15.466   0.182   1.004
   51    HA   ASP   7           HA       ASP   7 -14.346   2.957   0.863
   52   1HB   ASP   7          HB2       ASP   7 -16.843   2.274   1.593
   53   2HB   ASP   7          HB1       ASP   7 -16.036   1.991   3.135
   54    H    ILE   8           HN       ILE   8 -14.553  -0.084   2.722
   55    HA   ILE   8           HA       ILE   8 -12.674   0.581   4.783
   56    HB   ILE   8           HB       ILE   8 -14.437  -1.327   4.515
   57   1HG1  ILE   8          HG12      ILE   8 -11.690  -1.957   5.642
   58   2HG1  ILE   8          HG11      ILE   8 -12.925  -1.001   6.459
   59   1HG2  ILE   8          HG21      ILE   8 -13.653  -3.410   3.627
   60   2HG2  ILE   8          HG22      ILE   8 -12.016  -2.784   3.427
   61   3HG2  ILE   8          HG23      ILE   8 -13.319  -2.190   2.399
   62   1HD1  ILE   8          HD11      ILE   8 -13.267  -3.145   7.354
   63   2HD1  ILE   8          HD12      ILE   8 -12.949  -3.939   5.812
   64   3HD1  ILE   8          HD13      ILE   8 -14.462  -3.069   6.060
   65    H    TRP   9           HN       TRP   9 -12.244  -0.756   1.515
   66    HA   TRP   9           HA       TRP   9  -9.528  -1.607   1.810
   67   1HB   TRP   9          HB2       TRP   9  -9.594  -1.828  -0.559
   68   2HB   TRP   9          HB1       TRP   9 -11.250  -2.099  -0.032
   69    HD1  TRP   9           HD1      TRP   9 -12.429   0.714   0.222
   70    HE1  TRP   9           HE1      TRP   9 -12.659   2.285  -1.805
   71    HE3  TRP   9           HE3      TRP   9  -8.964  -1.359  -2.893
   72    HZ2  TRP   9           HZ2      TRP   9 -11.523   2.619  -4.409
   73    HZ3  TRP   9           HZ3      TRP   9  -8.556  -0.399  -5.141
   74    HH2  TRP   9           HH2      TRP   9  -9.832   1.586  -5.903
   75    H    ASP  10           HN       ASP  10 -10.928   1.574   1.409
   76    HA   ASP  10           HA       ASP  10  -8.642   2.987   0.396
   77   1HB   ASP  10          HB2       ASP  10 -11.157   3.639   0.703
   78   2HB   ASP  10          HB1       ASP  10 -10.679   4.087   2.341
   79    H    TRP  11           HN       TRP  11  -9.651   1.986   3.641
   80    HA   TRP  11           HA       TRP  11  -7.690   3.498   5.124
   81   1HB   TRP  11          HB2       TRP  11  -9.297   2.787   6.579
   82   2HB   TRP  11          HB1       TRP  11  -9.780   1.473   5.519
   83    HD1  TRP  11           HD1      TRP  11  -6.388   1.964   7.315
   84    HE1  TRP  11           HE1      TRP  11  -5.932  -0.118   8.760
   85    HE3  TRP  11           HE3      TRP  11 -10.727  -0.593   6.544
   86    HZ2  TRP  11           HZ2      TRP  11  -7.243  -2.552   9.497
   87    HZ3  TRP  11           HZ3      TRP  11 -11.101  -2.790   7.627
   88    HH2  TRP  11           HH2      TRP  11  -9.367  -3.772   9.101
   89    H    ILE  12           HN       ILE  12  -7.773   0.068   4.042
   90    HA   ILE  12           HA       ILE  12  -5.107  -0.528   5.036
   91    HB   ILE  12           HB       ILE  12  -6.779  -1.905   2.913
   92   1HG1  ILE  12          HG12      ILE  12  -6.853  -3.130   5.538
   93   2HG1  ILE  12          HG11      ILE  12  -7.418  -1.460   5.625
   94   1HG2  ILE  12          HG21      ILE  12  -5.544  -3.922   3.639
   95   2HG2  ILE  12          HG22      ILE  12  -4.609  -2.937   4.763
   96   3HG2  ILE  12          HG23      ILE  12  -4.448  -2.685   3.025
   97   1HD1  ILE  12          HD11      ILE  12  -8.880  -1.971   3.611
   98   2HD1  ILE  12          HD12      ILE  12  -9.337  -2.796   5.101
   99   3HD1  ILE  12          HD13      ILE  12  -8.463  -3.669   3.843
  100    H    CYS  13           HN       CYS  13  -6.407   0.080   1.744
  101    HA   CYS  13           HA       CYS  13  -3.973  -0.155   0.308
  102   1HB   CYS  13          HB2       CYS  13  -6.333   0.014  -0.569
  103   2HB   CYS  13          HB1       CYS  13  -6.280   1.744  -0.226
  104    HG   CYS  13           HG       CYS  13  -5.460   0.941  -2.765
  105    H    GLU  14           HN       GLU  14  -5.423   2.707   1.892
  106    HA   GLU  14           HA       GLU  14  -3.492   4.643   1.059
  107   1HB   GLU  14          HB2       GLU  14  -5.585   5.322   1.998
  108   2HB   GLU  14          HB1       GLU  14  -5.340   4.334   3.437
  109   1HG   GLU  14          HG2       GLU  14  -3.198   6.297   3.013
  110   2HG   GLU  14          HG1       GLU  14  -4.782   7.036   3.241
  111    H    VAL  15           HN       VAL  15  -3.668   2.746   4.112
  112    HA   VAL  15           HA       VAL  15  -1.154   3.668   5.170
  113    HB   VAL  15           HB       VAL  15  -2.795   1.146   5.612
  114   1HG1  VAL  15          HG11      VAL  15  -0.837   0.482   6.624
  115   2HG1  VAL  15          HG12      VAL  15  -1.471   1.478   7.934
  116   3HG1  VAL  15          HG13      VAL  15  -0.261   2.136   6.832
  117   1HG2  VAL  15          HG21      VAL  15  -2.577   3.542   7.436
  118   2HG2  VAL  15          HG22      VAL  15  -3.840   2.312   7.379
  119   3HG2  VAL  15          HG23      VAL  15  -3.732   3.524   6.105
  120    H    LEU  16           HN       LEU  16  -2.026   1.026   2.973
  121    HA   LEU  16           HA       LEU  16   0.428  -0.444   3.040
  122   1HB   LEU  16          HB2       LEU  16  -2.049  -0.367   1.589
  123   2HB   LEU  16          HB1       LEU  16  -0.737  -0.475   0.422
  124    HG   LEU  16           HG       LEU  16  -1.473  -2.719   1.090
  125   1HD1  LEU  16          HD11      LEU  16   1.148  -2.384   2.507
  126   2HD1  LEU  16          HD12      LEU  16   1.053  -1.988   0.792
  127   3HD1  LEU  16          HD13      LEU  16   0.653  -3.614   1.344
  128   1HD2  LEU  16          HD21      LEU  16  -1.077  -1.563   3.827
  129   2HD2  LEU  16          HD22      LEU  16  -0.764  -3.282   3.591
  130   3HD2  LEU  16          HD23      LEU  16  -2.358  -2.619   3.231
  131    H    SER  17           HN       SER  17  -0.572   2.395   1.116
  132    HA   SER  17           HA       SER  17   1.657   2.485  -0.671
  133   1HB   SER  17          HB2       SER  17  -0.621   3.848  -0.433
  134   2HB   SER  17          HB1       SER  17   0.403   4.976   0.450
  135    HG   SER  17           HG       SER  17   1.763   5.056  -1.378
  136    H    ASP  18           HN       ASP  18   1.188   3.986   2.548
  137    HA   ASP  18           HA       ASP  18   3.729   5.303   2.711
  138   1HB   ASP  18          HB2       ASP  18   1.970   5.859   4.249
  139   2HB   ASP  18          HB1       ASP  18   1.761   4.174   4.727
  140    H    PHE  19           HN       PHE  19   2.655   2.055   3.732
  141    HA   PHE  19           HA       PHE  19   5.175   1.184   4.824
  142   1HB   PHE  19          HB2       PHE  19   2.695   0.291   4.971
  143   2HB   PHE  19          HB1       PHE  19   3.150  -0.640   3.544
  144    HD1  PHE  19           HD1      PHE  19   5.040   0.334   6.646
  145    HD2  PHE  19           HD2      PHE  19   3.563  -2.851   4.166
  146    HE1  PHE  19           HE1      PHE  19   6.185  -1.324   8.090
  147    HE2  PHE  19           HE2      PHE  19   4.708  -4.507   5.612
  148    HZ   PHE  19           HZ       PHE  19   6.020  -3.743   7.573
  149    H    LYS  20           HN       LYS  20   3.781   1.086   1.549
  150    HA   LYS  20           HA       LYS  20   5.688  -0.696   0.350
  151   1HB   LYS  20          HB2       LYS  20   3.477   0.018  -0.575
  152   2HB   LYS  20          HB1       LYS  20   4.138   1.630  -0.844
  153   1HG   LYS  20          HG2       LYS  20   5.782  -0.555  -1.956
  154   2HG   LYS  20          HG1       LYS  20   4.189  -0.395  -2.696
  155   1HD   LYS  20          HD2       LYS  20   5.616   2.159  -2.250
  156   2HD   LYS  20          HD1       LYS  20   6.365   1.086  -3.432
  157   1HE   LYS  20          HE2       LYS  20   3.395   1.525  -3.585
  158   2HE   LYS  20          HE1       LYS  20   4.483   2.779  -4.211
  159   1HZ   LYS  20          HZ1       LYS  20   4.539  -0.109  -4.925
  160   2HZ   LYS  20          HZ2       LYS  20   5.662   1.049  -5.463
  161   3HZ   LYS  20          HZ3       LYS  20   4.031   1.158  -5.932
  162    H    THR  21           HN       THR  21   5.627   2.876   0.640
  163    HA   THR  21           HA       THR  21   8.104   3.333  -0.780
  164    HB   THR  21           HB       THR  21   6.554   4.926   1.297
  165    HG1  THR  21           HG1      THR  21   6.695   5.250  -1.514
  166   1HG2  THR  21          HG21      THR  21   7.843   6.826  -0.059
  167   2HG2  THR  21          HG22      THR  21   9.025   5.533  -0.275
  168   3HG2  THR  21          HG23      THR  21   8.570   6.053   1.349
  169    H    TRP  22           HN       TRP  22   7.293   2.949   2.678
  170    HA   TRP  22           HA       TRP  22   9.918   3.427   3.738
  171   1HB   TRP  22          HB2       TRP  22   7.758   3.431   4.986
  172   2HB   TRP  22          HB1       TRP  22   7.642   1.688   4.754
  173    HD1  TRP  22           HD1      TRP  22   9.304   4.315   6.873
  174    HE1  TRP  22           HE1      TRP  22  10.727   3.178   8.698
  175    HE3  TRP  22           HE3      TRP  22   9.153  -0.511   5.227
  176    HZ2  TRP  22           HZ2      TRP  22  11.676   0.560   9.369
  177    HZ3  TRP  22           HZ3      TRP  22  10.321  -2.305   6.471
  178    HH2  TRP  22           HH2      TRP  22  11.580  -1.779   8.535
  179    H    LEU  23           HN       LEU  23   8.252   0.400   2.772
  180    HA   LEU  23           HA       LEU  23  10.351  -1.408   3.510
  181   1HB   LEU  23          HB2       LEU  23   7.833  -1.401   2.031
  182   2HB   LEU  23          HB1       LEU  23   9.009  -2.477   1.286
  183    HG   LEU  23           HG       LEU  23   7.794  -3.772   2.909
  184   1HD1  LEU  23          HD11      LEU  23  10.199  -3.181   4.561
  185   2HD1  LEU  23          HD12      LEU  23  10.486  -3.648   2.884
  186   3HD1  LEU  23          HD13      LEU  23   9.596  -4.725   3.960
  187   1HD2  LEU  23          HD21      LEU  23   8.476  -2.487   5.374
  188   2HD2  LEU  23          HD22      LEU  23   6.873  -2.789   4.708
  189   3HD2  LEU  23          HD23      LEU  23   7.717  -1.292   4.323
  190    H    LYS  24           HN       LYS  24   9.660   0.277   0.431
  191    HA   LYS  24           HA       LYS  24  11.717  -0.909  -1.155
  192   1HB   LYS  24          HB2       LYS  24   9.694   0.651  -1.703
  193   2HB   LYS  24          HB1       LYS  24  10.827   1.965  -1.380
  194   1HG   LYS  24          HG2       LYS  24  12.276   1.291  -3.140
  195   2HG   LYS  24          HG1       LYS  24  11.492  -0.283  -3.286
  196   1HD   LYS  24          HD2       LYS  24   9.368   0.980  -3.925
  197   2HD   LYS  24          HD1       LYS  24  10.379   2.420  -4.064
  198   1HE   LYS  24          HE2       LYS  24  11.863   1.075  -5.657
  199   2HE   LYS  24          HE1       LYS  24  10.566  -0.138  -5.682
  200   1HZ   LYS  24          HZ1       LYS  24  10.268   2.753  -6.322
  201   2HZ   LYS  24          HZ2       LYS  24   8.997   1.624  -6.276
  202   3HZ   LYS  24          HZ3       LYS  24  10.227   1.479  -7.441
  203    H    ALA  25           HN       ALA  25  11.771   1.982   0.950
  204    HA   ALA  25           HA       ALA  25  14.412   2.883   0.332
  205   1HB   ALA  25          HB1       ALA  25  12.522   3.109   2.670
  206   2HB   ALA  25          HB2       ALA  25  12.983   4.347   1.503
  207   3HB   ALA  25          HB3       ALA  25  14.126   3.839   2.746
  208    H    LYS  26           HN       LYS  26  13.296   0.212   2.317
  209    HA   LYS  26           HA       LYS  26  16.034  -0.152   3.466
  210   1HB   LYS  26          HB2       LYS  26  13.234  -0.761   4.245
  211   2HB   LYS  26          HB1       LYS  26  14.431  -1.975   4.694
  212   1HG   LYS  26          HG2       LYS  26  15.814   0.096   5.532
  213   2HG   LYS  26          HG1       LYS  26  14.244   0.899   5.547
  214   1HD   LYS  26          HD2       LYS  26  13.409  -0.457   7.229
  215   2HD   LYS  26          HD1       LYS  26  14.460  -1.808   6.806
  216   1HE   LYS  26          HE2       LYS  26  15.818  -1.164   8.506
  217   2HE   LYS  26          HE1       LYS  26  16.202   0.288   7.563
  218   1HZ   LYS  26          HZ1       LYS  26  13.876  -0.039   9.391
  219   2HZ   LYS  26          HZ2       LYS  26  14.195   1.337   8.445
  220   3HZ   LYS  26          HZ3       LYS  26  15.254   0.900   9.700
  221    H    LEU  27           HN       LEU  27  13.825  -1.472   1.114
  222    HA   LEU  27           HA       LEU  27  14.841  -4.192   1.097
  223   1HB   LEU  27          HB2       LEU  27  12.772  -2.663  -0.086
  224   2HB   LEU  27          HB1       LEU  27  13.733  -3.285  -1.424
  225    HG   LEU  27           HG       LEU  27  11.923  -4.855  -0.786
  226   1HD1  LEU  27          HD11      LEU  27  14.586  -6.024   0.038
  227   2HD1  LEU  27          HD12      LEU  27  14.228  -5.597  -1.635
  228   3HD1  LEU  27          HD13      LEU  27  13.263  -6.822  -0.811
  229   1HD2  LEU  27          HD21      LEU  27  13.397  -5.356   1.796
  230   2HD2  LEU  27          HD22      LEU  27  11.746  -5.801   1.360
  231   3HD2  LEU  27          HD23      LEU  27  12.142  -4.118   1.710
  232    H    MET  28           HN       MET  28  15.552  -1.263  -0.839
  233    HA   MET  28           HA       MET  28  17.329  -2.446  -2.721
  234   1HB   MET  28          HB2       MET  28  16.355   0.099  -2.028
  235   2HB   MET  28          HB1       MET  28  18.108   0.235  -1.896
  236   1HG   MET  28          HG2       MET  28  17.787   0.698  -4.156
  237   2HG   MET  28          HG1       MET  28  18.096  -1.037  -4.199
  238   1HE   MET  28          HE1       MET  28  15.546  -1.053  -6.930
  239   2HE   MET  28          HE2       MET  28  16.700  -2.129  -6.147
  240   3HE   MET  28          HE3       MET  28  17.176  -0.482  -6.550
  241    HA   PRO  29           HA       PRO  29  20.945  -1.514   0.259
  242   1HB   PRO  29          HB2       PRO  29  20.398  -0.646   2.795
  243   2HB   PRO  29          HB1       PRO  29  20.602   0.459   1.422
  244   1HG   PRO  29          HG2       PRO  29  18.117  -0.474   2.748
  245   2HG   PRO  29          HG1       PRO  29  18.499   1.100   2.038
  246   1HD   PRO  29          HD2       PRO  29  16.956  -0.831   0.828
  247   2HD   PRO  29          HD1       PRO  29  17.810   0.466  -0.032
  248    H    GLN  30           HN       GLN  30  21.625  -2.436   2.683
  249    HA   GLN  30           HA       GLN  30  21.960  -4.595   3.653
  250   1HB   GLN  30          HB2       GLN  30  19.966  -4.965   5.197
  251   2HB   GLN  30          HB1       GLN  30  20.687  -3.361   5.261
  252   1HG   GLN  30          HG2       GLN  30  18.926  -2.552   3.676
  253   2HG   GLN  30          HG1       GLN  30  18.176  -4.147   3.743
  254   1HE2  GLN  30          HE21      GLN  30  19.516  -1.898   6.253
  255   2HE2  GLN  30          HE22      GLN  30  18.143  -1.972   7.248
  256    H    LEU  31           HN       LEU  31  21.735  -5.444   1.191
  257    HA   LEU  31           HA       LEU  31  19.452  -7.388   1.078
  258   1HB   LEU  31          HB2       LEU  31  20.548  -5.501  -0.749
  259   2HB   LEU  31          HB1       LEU  31  20.925  -7.103  -1.385
  260    HG   LEU  31           HG       LEU  31  18.157  -6.332  -0.430
  261   1HD1  LEU  31          HD11      LEU  31  19.476  -6.021  -3.125
  262   2HD1  LEU  31          HD12      LEU  31  18.485  -4.859  -2.242
  263   3HD1  LEU  31          HD13      LEU  31  17.734  -6.267  -2.994
  264   1HD2  LEU  31          HD21      LEU  31  17.470  -8.312  -1.631
  265   2HD2  LEU  31          HD22      LEU  31  18.832  -8.769  -0.608
  266   3HD2  LEU  31          HD23      LEU  31  19.075  -8.506  -2.335
  Start of MODEL   35
    1   1H    SER   1           HT1      SER   1 -28.576   1.574   6.320
    2   2H    SER   1           HT2      SER   1 -27.026   0.902   6.140
    3   3H    SER   1           HT3      SER   1 -28.232   0.585   4.986
    4    HA   SER   1           HA       SER   1 -28.232   2.872   4.258
    5   1HB   SER   1          HB2       SER   1 -26.195   3.171   6.490
    6   2HB   SER   1          HB1       SER   1 -26.722   4.457   5.408
    7    HG   SER   1           HG       SER   1 -27.927   4.567   7.288
    8    H    GLY   2           HN       GLY   2 -26.905   3.278   2.470
    9   1HA   GLY   2          HA2       GLY   2 -25.040   3.116   1.034
   10   2HA   GLY   2          HA1       GLY   2 -24.111   2.464   2.385
   11    H    SER   3           HN       SER   3 -23.213   0.770   1.088
   12    HA   SER   3           HA       SER   3 -25.170  -1.399   0.389
   13   1HB   SER   3          HB2       SER   3 -22.772  -0.292  -1.082
   14   2HB   SER   3          HB1       SER   3 -23.424  -1.887  -1.452
   15    HG   SER   3           HG       SER   3 -25.355  -0.946  -2.015
   16    H    TRP   4           HN       TRP   4 -21.603  -0.984   0.691
   17    HA   TRP   4           HA       TRP   4 -21.499  -3.004   2.838
   18   1HB   TRP   4          HB2       TRP   4 -21.446  -3.811   0.185
   19   2HB   TRP   4          HB1       TRP   4 -19.734  -3.705   0.589
   20    HD1  TRP   4           HD1      TRP   4 -22.976  -5.372   1.829
   21    HE1  TRP   4           HE1      TRP   4 -22.352  -7.528   3.093
   22    HE3  TRP   4           HE3      TRP   4 -17.870  -5.000   1.770
   23    HZ2  TRP   4           HZ2      TRP   4 -20.010  -8.916   3.961
   24    HZ3  TRP   4           HZ3      TRP   4 -16.477  -6.756   2.820
   25    HH2  TRP   4           HH2      TRP   4 -17.538  -8.710   3.916
   26    H    LEU   5           HN       LEU   5 -18.856  -3.574   2.869
   27    HA   LEU   5           HA       LEU   5 -17.601  -1.117   3.756
   28   1HB   LEU   5          HB2       LEU   5 -16.897  -4.025   3.471
   29   2HB   LEU   5          HB1       LEU   5 -15.628  -2.867   3.850
   30    HG   LEU   5           HG       LEU   5 -17.888  -2.277   5.502
   31   1HD1  LEU   5          HD11      LEU   5 -18.556  -4.625   5.089
   32   2HD1  LEU   5          HD12      LEU   5 -18.056  -4.384   6.763
   33   3HD1  LEU   5          HD13      LEU   5 -16.963  -5.165   5.621
   34   1HD2  LEU   5          HD21      LEU   5 -16.264  -2.648   7.290
   35   2HD2  LEU   5          HD22      LEU   5 -15.473  -1.813   5.954
   36   3HD2  LEU   5          HD23      LEU   5 -15.214  -3.541   6.190
   37    H    ARG   6           HN       ARG   6 -18.016  -0.166   1.421
   38    HA   ARG   6           HA       ARG   6 -16.188  -0.965  -0.706
   39   1HB   ARG   6          HB2       ARG   6 -18.111   1.261  -0.112
   40   2HB   ARG   6          HB1       ARG   6 -16.944   1.499  -1.413
   41   1HG   ARG   6          HG2       ARG   6 -18.702  -0.959  -1.220
   42   2HG   ARG   6          HG1       ARG   6 -19.168   0.484  -2.121
   43   1HD   ARG   6          HD2       ARG   6 -16.682   0.126  -3.137
   44   2HD   ARG   6          HD1       ARG   6 -17.105  -1.558  -2.774
   45    HE   ARG   6           HE       ARG   6 -19.234  -1.154  -4.080
   46   1HH1  ARG   6          HH11      ARG   6 -16.647  -0.990  -5.778
   47   2HH1  ARG   6          HH12      ARG   6 -17.019   0.373  -6.782
   48   1HH2  ARG   6          HH21      ARG   6 -19.670   1.439  -4.801
   49   2HH2  ARG   6          HH22      ARG   6 -18.737   1.753  -6.225
   50    H    ASP   7           HN       ASP   7 -16.169   1.500   1.857
   51    HA   ASP   7           HA       ASP   7 -13.708   2.791   0.992
   52   1HB   ASP   7          HB2       ASP   7 -14.003   4.057   3.015
   53   2HB   ASP   7          HB1       ASP   7 -15.622   3.739   2.394
   54    H    ILE   8           HN       ILE   8 -14.453  -0.073   2.851
   55    HA   ILE   8           HA       ILE   8 -12.264  -0.326   4.596
   56    HB   ILE   8           HB       ILE   8 -14.392  -1.792   3.920
   57   1HG1  ILE   8          HG12      ILE   8 -13.129  -2.145   5.964
   58   2HG1  ILE   8          HG11      ILE   8 -13.397  -3.696   5.174
   59   1HG2  ILE   8          HG21      ILE   8 -12.123  -3.296   2.584
   60   2HG2  ILE   8          HG22      ILE   8 -13.412  -2.459   1.720
   61   3HG2  ILE   8          HG23      ILE   8 -13.792  -3.840   2.749
   62   1HD1  ILE   8          HD11      ILE   8 -11.118  -3.773   5.774
   63   2HD1  ILE   8          HD12      ILE   8 -10.853  -2.088   5.327
   64   3HD1  ILE   8          HD13      ILE   8 -11.082  -3.307   4.074
   65    H    TRP   9           HN       TRP   9 -12.367  -0.882   1.079
   66    HA   TRP   9           HA       TRP   9  -9.630  -1.930   0.985
   67   1HB   TRP   9          HB2       TRP   9 -11.006  -2.744  -0.734
   68   2HB   TRP   9          HB1       TRP   9 -11.800  -1.190  -0.971
   69    HD1  TRP   9           HD1      TRP   9  -8.646  -3.127  -1.879
   70    HE1  TRP   9           HE1      TRP   9  -7.442  -1.909  -3.805
   71    HE3  TRP   9           HE3      TRP   9 -11.443   1.142  -2.114
   72    HZ2  TRP   9           HZ2      TRP   9  -7.639   0.550  -5.253
   73    HZ3  TRP   9           HZ3      TRP   9 -10.912   2.903  -3.774
   74    HH2  TRP   9           HH2      TRP   9  -9.015   2.612  -5.343
   75    H    ASP  10           HN       ASP  10 -11.268   1.158   0.276
   76    HA   ASP  10           HA       ASP  10  -8.995   2.580  -0.744
   77   1HB   ASP  10          HB2       ASP  10 -11.442   3.188  -0.886
   78   2HB   ASP  10          HB1       ASP  10 -11.376   3.631   0.821
   79    H    TRP  11           HN       TRP  11 -10.309   2.222   2.562
   80    HA   TRP  11           HA       TRP  11  -8.474   3.992   3.866
   81   1HB   TRP  11          HB2       TRP  11  -9.883   3.441   5.554
   82   2HB   TRP  11          HB1       TRP  11 -10.653   2.287   4.480
   83    HD1  TRP  11           HD1      TRP  11 -10.606  -0.117   5.250
   84    HE1  TRP  11           HE1      TRP  11  -9.245  -1.493   6.946
   85    HE3  TRP  11           HE3      TRP  11  -7.218   3.406   6.728
   86    HZ2  TRP  11           HZ2      TRP  11  -7.017  -1.149   8.702
   87    HZ3  TRP  11           HZ3      TRP  11  -5.490   2.852   8.415
   88    HH2  TRP  11           HH2      TRP  11  -5.387   0.583   9.404
   89    H    ILE  12           HN       ILE  12  -8.249   0.533   3.011
   90    HA   ILE  12           HA       ILE  12  -5.712   0.125   4.403
   91    HB   ILE  12           HB       ILE  12  -7.445  -1.374   2.444
   92   1HG1  ILE  12          HG12      ILE  12  -8.034  -1.460   4.812
   93   2HG1  ILE  12          HG11      ILE  12  -7.420  -3.034   4.311
   94   1HG2  ILE  12          HG21      ILE  12  -4.590  -2.009   3.205
   95   2HG2  ILE  12          HG22      ILE  12  -5.318  -1.997   1.598
   96   3HG2  ILE  12          HG23      ILE  12  -5.723  -3.276   2.740
   97   1HD1  ILE  12          HD11      ILE  12  -5.996  -0.906   5.917
   98   2HD1  ILE  12          HD12      ILE  12  -5.126  -2.225   5.134
   99   3HD1  ILE  12          HD13      ILE  12  -6.328  -2.576   6.376
  100    H    CYS  13           HN       CYS  13  -6.692   1.027   1.115
  101    HA   CYS  13           HA       CYS  13  -4.144   0.699  -0.162
  102   1HB   CYS  13          HB2       CYS  13  -6.592   1.147  -1.034
  103   2HB   CYS  13          HB1       CYS  13  -6.122   2.841  -0.902
  104    HG   CYS  13           HG       CYS  13  -5.432   1.286  -3.231
  105    H    GLU  14           HN       GLU  14  -5.322   3.120   2.056
  106    HA   GLU  14           HA       GLU  14  -3.157   5.033   1.325
  107   1HB   GLU  14          HB2       GLU  14  -5.531   5.755   1.617
  108   2HB   GLU  14          HB1       GLU  14  -5.458   5.224   3.297
  109   1HG   GLU  14          HG2       GLU  14  -4.056   6.953   3.930
  110   2HG   GLU  14          HG1       GLU  14  -3.342   7.104   2.325
  111    H    VAL  15           HN       VAL  15  -3.843   2.541   3.642
  112    HA   VAL  15           HA       VAL  15  -1.853   3.661   5.571
  113    HB   VAL  15           HB       VAL  15  -4.270   2.874   6.128
  114   1HG1  VAL  15          HG11      VAL  15  -2.939   0.167   6.266
  115   2HG1  VAL  15          HG12      VAL  15  -3.846   0.671   4.840
  116   3HG1  VAL  15          HG13      VAL  15  -4.654   0.557   6.404
  117   1HG2  VAL  15          HG21      VAL  15  -1.903   1.777   7.679
  118   2HG2  VAL  15          HG22      VAL  15  -3.522   2.035   8.324
  119   3HG2  VAL  15          HG23      VAL  15  -2.546   3.413   7.815
  120    H    LEU  16           HN       LEU  16  -1.856   1.571   2.941
  121    HA   LEU  16           HA       LEU  16   0.167  -0.266   4.164
  122   1HB   LEU  16          HB2       LEU  16  -2.049  -0.922   2.876
  123   2HB   LEU  16          HB1       LEU  16  -1.058  -0.620   1.448
  124    HG   LEU  16           HG       LEU  16   0.694  -2.149   2.554
  125   1HD1  LEU  16          HD11      LEU  16  -0.077  -2.319   4.789
  126   2HD1  LEU  16          HD12      LEU  16  -0.495  -3.873   4.067
  127   3HD1  LEU  16          HD13      LEU  16  -1.735  -2.638   4.281
  128   1HD2  LEU  16          HD21      LEU  16  -0.441  -4.176   1.711
  129   2HD2  LEU  16          HD22      LEU  16  -0.688  -2.817   0.614
  130   3HD2  LEU  16          HD23      LEU  16  -1.979  -3.314   1.708
  131    H    SER  17           HN       SER  17  -0.354   1.944   1.404
  132    HA   SER  17           HA       SER  17   2.045   1.468  -0.028
  133   1HB   SER  17          HB2       SER  17   0.071   3.669   0.305
  134   2HB   SER  17          HB1       SER  17   1.612   4.110  -0.427
  135    HG   SER  17           HG       SER  17  -0.379   3.040  -1.647
  136    H    ASP  18           HN       ASP  18   1.469   3.944   2.523
  137    HA   ASP  18           HA       ASP  18   4.124   4.962   2.632
  138   1HB   ASP  18          HB2       ASP  18   3.411   5.892   4.740
  139   2HB   ASP  18          HB1       ASP  18   1.985   5.838   3.707
  140    H    PHE  19           HN       PHE  19   2.701   2.059   4.070
  141    HA   PHE  19           HA       PHE  19   5.057   1.455   5.718
  142   1HB   PHE  19          HB2       PHE  19   2.385   0.875   5.807
  143   2HB   PHE  19          HB1       PHE  19   3.027  -0.621   5.129
  144    HD1  PHE  19           HD1      PHE  19   4.522  -2.053   6.410
  145    HD2  PHE  19           HD2      PHE  19   3.083   1.656   8.033
  146    HE1  PHE  19           HE1      PHE  19   5.317  -2.729   8.659
  147    HE2  PHE  19           HE2      PHE  19   3.879   0.979  10.283
  148    HZ   PHE  19           HZ       PHE  19   4.996  -1.213  10.594
  149    H    LYS  20           HN       LYS  20   4.176   0.966   2.419
  150    HA   LYS  20           HA       LYS  20   6.056  -1.353   2.163
  151   1HB   LYS  20          HB2       LYS  20   3.496  -1.127   1.358
  152   2HB   LYS  20          HB1       LYS  20   4.287  -0.433  -0.058
  153   1HG   LYS  20          HG2       LYS  20   5.620  -2.426  -0.374
  154   2HG   LYS  20          HG1       LYS  20   5.059  -3.100   1.158
  155   1HD   LYS  20          HD2       LYS  20   2.678  -2.866   0.134
  156   2HD   LYS  20          HD1       LYS  20   3.524  -2.732  -1.409
  157   1HE   LYS  20          HE2       LYS  20   4.621  -4.901  -1.031
  158   2HE   LYS  20          HE1       LYS  20   3.836  -5.035   0.555
  159   1HZ   LYS  20          HZ1       LYS  20   2.564  -6.184  -1.176
  160   2HZ   LYS  20          HZ2       LYS  20   2.416  -4.731  -2.043
  161   3HZ   LYS  20          HZ3       LYS  20   1.684  -4.894  -0.517
  162    H    THR  21           HN       THR  21   6.164   1.956   1.938
  163    HA   THR  21           HA       THR  21   7.779   2.036  -0.565
  164    HB   THR  21           HB       THR  21   6.666   4.170   1.290
  165    HG1  THR  21           HG1      THR  21   5.259   4.503  -0.445
  166   1HG2  THR  21          HG21      THR  21   8.472   5.291   0.366
  167   2HG2  THR  21          HG22      THR  21   7.268   5.557  -0.895
  168   3HG2  THR  21          HG23      THR  21   8.482   4.293  -1.088
  169    H    TRP  22           HN       TRP  22   8.053   2.706   2.951
  170    HA   TRP  22           HA       TRP  22  10.747   3.670   2.874
  171   1HB   TRP  22          HB2       TRP  22  10.645   3.391   5.266
  172   2HB   TRP  22          HB1       TRP  22   9.060   3.912   4.723
  173    HD1  TRP  22           HD1      TRP  22   7.054   2.372   5.203
  174    HE1  TRP  22           HE1      TRP  22   6.759   0.124   6.426
  175    HE3  TRP  22           HE3      TRP  22  11.945   0.986   5.709
  176    HZ2  TRP  22           HZ2      TRP  22   8.379  -1.978   7.486
  177    HZ3  TRP  22           HZ3      TRP  22  12.538  -1.137   6.835
  178    HH2  TRP  22           HH2      TRP  22  10.763  -2.622   7.721
  179    H    LEU  23           HN       LEU  23   9.437   0.406   2.774
  180    HA   LEU  23           HA       LEU  23  11.861  -0.983   3.548
  181   1HB   LEU  23          HB2       LEU  23   9.240  -1.590   2.244
  182   2HB   LEU  23          HB1       LEU  23  10.534  -2.774   2.049
  183    HG   LEU  23           HG       LEU  23  10.304  -1.760   4.788
  184   1HD1  LEU  23          HD11      LEU  23   7.948  -1.676   4.343
  185   2HD1  LEU  23          HD12      LEU  23   8.252  -3.163   5.241
  186   3HD1  LEU  23          HD13      LEU  23   7.994  -3.222   3.497
  187   1HD2  LEU  23          HD21      LEU  23  10.116  -4.578   3.695
  188   2HD2  LEU  23          HD22      LEU  23  10.603  -4.089   5.318
  189   3HD2  LEU  23          HD23      LEU  23  11.647  -3.739   3.942
  190    H    LYS  24           HN       LYS  24  10.466   0.030   0.426
  191    HA   LYS  24           HA       LYS  24  12.659  -1.092  -1.156
  192   1HB   LYS  24          HB2       LYS  24  10.160  -0.649  -1.756
  193   2HB   LYS  24          HB1       LYS  24  10.673   1.019  -2.016
  194   1HG   LYS  24          HG2       LYS  24  12.283  -1.156  -3.292
  195   2HG   LYS  24          HG1       LYS  24  10.717  -0.763  -3.999
  196   1HD   LYS  24          HD2       LYS  24  11.740   1.738  -3.606
  197   2HD   LYS  24          HD1       LYS  24  13.211   0.826  -3.944
  198   1HE   LYS  24          HE2       LYS  24  12.620   1.247  -6.132
  199   2HE   LYS  24          HE1       LYS  24  11.566  -0.160  -5.891
  200   1HZ   LYS  24          HZ1       LYS  24   9.812   1.317  -5.127
  201   2HZ   LYS  24          HZ2       LYS  24  10.308   1.763  -6.690
  202   3HZ   LYS  24          HZ3       LYS  24  10.815   2.669  -5.346
  203    H    ALA  25           HN       ALA  25  11.717   2.137   0.049
  204    HA   ALA  25           HA       ALA  25  13.768   3.638  -1.302
  205   1HB   ALA  25          HB1       ALA  25  13.156   5.353   0.372
  206   2HB   ALA  25          HB2       ALA  25  12.324   4.126   1.327
  207   3HB   ALA  25          HB3       ALA  25  11.712   4.567  -0.268
  208    H    LYS  26           HN       LYS  26  13.648   2.066   1.904
  209    HA   LYS  26           HA       LYS  26  16.397   2.901   2.567
  210   1HB   LYS  26          HB2       LYS  26  14.403   2.664   4.151
  211   2HB   LYS  26          HB1       LYS  26  14.583   0.920   3.970
  212   1HG   LYS  26          HG2       LYS  26  15.827   1.460   5.922
  213   2HG   LYS  26          HG1       LYS  26  17.037   1.263   4.654
  214   1HD   LYS  26          HD2       LYS  26  16.032   3.993   4.734
  215   2HD   LYS  26          HD1       LYS  26  16.697   3.509   6.294
  216   1HE   LYS  26          HE2       LYS  26  18.836   3.065   5.386
  217   2HE   LYS  26          HE1       LYS  26  18.207   2.965   3.729
  218   1HZ   LYS  26          HZ1       LYS  26  18.114   5.414   5.416
  219   2HZ   LYS  26          HZ2       LYS  26  17.653   5.284   3.784
  220   3HZ   LYS  26          HZ3       LYS  26  19.286   5.123   4.225
  221    H    LEU  27           HN       LEU  27  14.810   0.179   1.065
  222    HA   LEU  27           HA       LEU  27  15.646  -1.820   0.167
  223   1HB   LEU  27          HB2       LEU  27  17.553   0.186  -0.170
  224   2HB   LEU  27          HB1       LEU  27  18.474  -1.148   0.527
  225    HG   LEU  27           HG       LEU  27  17.233  -2.622  -1.224
  226   1HD1  LEU  27          HD11      LEU  27  16.591  -1.397  -3.266
  227   2HD1  LEU  27          HD12      LEU  27  16.940   0.134  -2.464
  228   3HD1  LEU  27          HD13      LEU  27  15.612  -0.877  -1.895
  229   1HD2  LEU  27          HD21      LEU  27  19.666  -2.017  -1.242
  230   2HD2  LEU  27          HD22      LEU  27  19.265  -0.583  -2.185
  231   3HD2  LEU  27          HD23      LEU  27  18.986  -2.189  -2.860
  232    H    MET  28           HN       MET  28  14.872  -2.863   2.183
  233    HA   MET  28           HA       MET  28  16.980  -3.503   4.191
  234   1HB   MET  28          HB2       MET  28  14.641  -2.654   4.754
  235   2HB   MET  28          HB1       MET  28  14.032  -4.206   4.178
  236   1HG   MET  28          HG2       MET  28  15.179  -5.410   5.879
  237   2HG   MET  28          HG1       MET  28  16.191  -4.024   6.285
  238   1HE   MET  28          HE1       MET  28  15.815  -2.675   8.258
  239   2HE   MET  28          HE2       MET  28  14.290  -1.842   8.544
  240   3HE   MET  28          HE3       MET  28  15.092  -1.686   6.983
  241    HA   PRO  29           HA       PRO  29  17.465  -7.411   2.083
  242   1HB   PRO  29          HB2       PRO  29  19.252  -8.499   3.848
  243   2HB   PRO  29          HB1       PRO  29  19.707  -7.283   2.638
  244   1HG   PRO  29          HG2       PRO  29  19.181  -6.954   5.546
  245   2HG   PRO  29          HG1       PRO  29  20.389  -6.165   4.520
  246   1HD   PRO  29          HD2       PRO  29  18.061  -4.976   5.320
  247   2HD   PRO  29          HD1       PRO  29  18.938  -4.542   3.837
  248    H    GLN  30           HN       GLN  30  17.614  -9.850   3.131
  249    HA   GLN  30           HA       GLN  30  15.038 -10.354   4.330
  250   1HB   GLN  30          HB2       GLN  30  16.792 -11.778   2.873
  251   2HB   GLN  30          HB1       GLN  30  17.264 -12.347   4.475
  252   1HG   GLN  30          HG2       GLN  30  14.692 -12.674   4.837
  253   2HG   GLN  30          HG1       GLN  30  14.616 -12.633   3.075
  254   1HE2  GLN  30          HE21      GLN  30  16.071 -14.413   5.820
  255   2HE2  GLN  30          HE22      GLN  30  16.388 -15.827   4.939
  256    H    LEU  31           HN       LEU  31  14.674  -9.642   6.415
  257    HA   LEU  31           HA       LEU  31  16.669 -10.422   8.520
  258   1HB   LEU  31          HB2       LEU  31  15.342  -7.827   7.840
  259   2HB   LEU  31          HB1       LEU  31  15.620  -8.178   9.546
  260    HG   LEU  31           HG       LEU  31  17.913  -8.739   7.759
  261   1HD1  LEU  31          HD11      LEU  31  18.555  -6.336   7.667
  262   2HD1  LEU  31          HD12      LEU  31  16.972  -5.910   8.320
  263   3HD1  LEU  31          HD13      LEU  31  17.095  -6.670   6.734
  264   1HD2  LEU  31          HD21      LEU  31  17.902  -8.903  10.274
  265   2HD2  LEU  31          HD22      LEU  31  17.669  -7.156  10.337
  266   3HD2  LEU  31          HD23      LEU  31  19.145  -7.824   9.641
  Start of MODEL   36
    1   1H    SER   1           HT1      SER   1 -20.403 -10.198  -5.713
    2   2H    SER   1           HT2      SER   1 -20.726  -9.775  -7.327
    3   3H    SER   1           HT3      SER   1 -21.455 -11.150  -6.645
    4    HA   SER   1           HA       SER   1 -22.955  -9.152  -6.833
    5   1HB   SER   1          HB2       SER   1 -22.336 -10.330  -4.103
    6   2HB   SER   1          HB1       SER   1 -23.881  -9.646  -4.603
    7    HG   SER   1           HG       SER   1 -24.296 -11.575  -5.314
    8    H    GLY   2           HN       GLY   2 -23.579  -7.174  -5.598
    9   1HA   GLY   2          HA2       GLY   2 -21.165  -5.693  -4.640
   10   2HA   GLY   2          HA1       GLY   2 -22.583  -4.930  -5.361
   11    H    SER   3           HN       SER   3 -21.103  -5.720  -2.426
   12    HA   SER   3           HA       SER   3 -23.652  -5.146  -0.952
   13   1HB   SER   3          HB2       SER   3 -22.689  -6.770   0.779
   14   2HB   SER   3          HB1       SER   3 -23.238  -7.493  -0.730
   15    HG   SER   3           HG       SER   3 -21.273  -8.286  -0.710
   16    H    TRP   4           HN       TRP   4 -20.233  -5.633   0.040
   17    HA   TRP   4           HA       TRP   4 -20.082  -2.780   0.895
   18   1HB   TRP   4          HB2       TRP   4 -20.880  -4.785   2.597
   19   2HB   TRP   4          HB1       TRP   4 -19.140  -4.774   2.874
   20    HD1  TRP   4           HD1      TRP   4 -21.993  -2.160   2.620
   21    HE1  TRP   4           HE1      TRP   4 -21.551  -0.321   4.372
   22    HE3  TRP   4           HE3      TRP   4 -17.575  -3.836   4.575
   23    HZ2  TRP   4           HZ2      TRP   4 -19.588   0.350   6.340
   24    HZ3  TRP   4           HZ3      TRP   4 -16.446  -2.578   6.386
   25    HH2  TRP   4           HH2      TRP   4 -17.446  -0.489   7.269
   26    H    LEU   5           HN       LEU   5 -17.653  -3.408   2.481
   27    HA   LEU   5           HA       LEU   5 -15.329  -3.528   2.175
   28   1HB   LEU   5          HB2       LEU   5 -16.489  -5.658   0.391
   29   2HB   LEU   5          HB1       LEU   5 -14.749  -5.374   0.393
   30    HG   LEU   5           HG       LEU   5 -15.235  -5.417   3.069
   31   1HD1  LEU   5          HD11      LEU   5 -16.725  -7.453   3.396
   32   2HD1  LEU   5          HD12      LEU   5 -17.257  -7.232   1.729
   33   3HD1  LEU   5          HD13      LEU   5 -17.566  -5.976   2.929
   34   1HD2  LEU   5          HD21      LEU   5 -14.697  -7.757   1.216
   35   2HD2  LEU   5          HD22      LEU   5 -14.438  -7.792   2.960
   36   3HD2  LEU   5          HD23      LEU   5 -13.494  -6.696   1.950
   37    H    ARG   6           HN       ARG   6 -16.855  -1.534   0.590
   38    HA   ARG   6           HA       ARG   6 -15.302  -1.380  -1.954
   39   1HB   ARG   6          HB2       ARG   6 -17.778  -0.133  -0.788
   40   2HB   ARG   6          HB1       ARG   6 -16.936   0.707  -2.089
   41   1HG   ARG   6          HG2       ARG   6 -17.014  -1.480  -3.392
   42   2HG   ARG   6          HG1       ARG   6 -18.121  -2.077  -2.154
   43   1HD   ARG   6          HD2       ARG   6 -19.472   0.108  -2.629
   44   2HD   ARG   6          HD1       ARG   6 -18.550   0.147  -4.145
   45    HE   ARG   6           HE       ARG   6 -20.443  -2.001  -3.333
   46   1HH1  ARG   6          HH21      ARG   6 -20.247  -0.218  -5.919
   47   2HH1  ARG   6          HH22      ARG   6 -19.790  -1.429  -7.069
   48   1HH2  ARG   6          HH11      ARG   6 -18.948  -3.781  -4.648
   49   2HH2  ARG   6          HH12      ARG   6 -19.061  -3.459  -6.345
   50    H    ASP   7           HN       ASP   7 -15.910   0.427   1.060
   51    HA   ASP   7           HA       ASP   7 -13.784   2.391   0.365
   52   1HB   ASP   7          HB2       ASP   7 -16.247   2.312   1.902
   53   2HB   ASP   7          HB1       ASP   7 -14.921   2.924   2.892
   54    H    ILE   8           HN       ILE   8 -14.316  -0.436   2.361
   55    HA   ILE   8           HA       ILE   8 -12.456   0.027   4.468
   56    HB   ILE   8           HB       ILE   8 -14.180  -1.835   4.157
   57   1HG1  ILE   8          HG12      ILE   8 -11.343  -2.558   4.964
   58   2HG1  ILE   8          HG11      ILE   8 -12.574  -1.845   6.002
   59   1HG2  ILE   8          HG21      ILE   8 -13.301  -2.452   1.848
   60   2HG2  ILE   8          HG22      ILE   8 -13.557  -3.810   2.942
   61   3HG2  ILE   8          HG23      ILE   8 -11.927  -3.200   2.661
   62   1HD1  ILE   8          HD11      ILE   8 -12.744  -4.117   6.540
   63   2HD1  ILE   8          HD12      ILE   8 -12.443  -4.631   4.880
   64   3HD1  ILE   8          HD13      ILE   8 -14.001  -3.932   5.318
   65    H    TRP   9           HN       TRP   9 -11.950  -1.065   1.124
   66    HA   TRP   9           HA       TRP   9  -9.190  -1.850   1.415
   67   1HB   TRP   9          HB2       TRP   9 -10.842  -0.853  -0.933
   68   2HB   TRP   9          HB1       TRP   9  -9.230  -1.545  -1.095
   69    HD1  TRP   9           HD1      TRP   9  -9.907  -3.750   1.327
   70    HE1  TRP   9           HE1      TRP   9 -11.252  -5.835   0.631
   71    HE3  TRP   9           HE3      TRP   9 -11.965  -2.061  -3.032
   72    HZ2  TRP   9           HZ2      TRP   9 -12.971  -6.678  -1.494
   73    HZ3  TRP   9           HZ3      TRP   9 -13.449  -3.525  -4.370
   74    HH2  TRP   9           HH2      TRP   9 -13.954  -5.830  -3.608
   75    H    ASP  10           HN       ASP  10 -10.814   1.217   0.639
   76    HA   ASP  10           HA       ASP  10  -8.564   2.800  -0.077
   77   1HB   ASP  10          HB2       ASP  10 -11.129   3.251  -0.085
   78   2HB   ASP  10          HB1       ASP  10 -10.899   3.762   1.588
   79    H    TRP  11           HN       TRP  11  -9.857   1.877   3.104
   80    HA   TRP  11           HA       TRP  11  -8.241   3.594   4.732
   81   1HB   TRP  11          HB2       TRP  11  -9.838   2.637   6.054
   82   2HB   TRP  11          HB1       TRP  11 -10.023   1.267   4.969
   83    HD1  TRP  11           HD1      TRP  11  -6.875   2.250   6.981
   84    HE1  TRP  11           HE1      TRP  11  -6.228   0.274   8.496
   85    HE3  TRP  11           HE3      TRP  11 -10.765  -0.895   6.013
   86    HZ2  TRP  11           HZ2      TRP  11  -7.232  -2.305   9.209
   87    HZ3  TRP  11           HZ3      TRP  11 -10.899  -3.106   7.124
   88    HH2  TRP  11           HH2      TRP  11  -9.140  -3.814   8.719
   89    H    ILE  12           HN       ILE  12  -7.725   0.183   3.711
   90    HA   ILE  12           HA       ILE  12  -5.068   0.014   4.873
   91    HB   ILE  12           HB       ILE  12  -6.347  -1.592   2.636
   92   1HG1  ILE  12          HG12      ILE  12  -6.393  -2.815   5.276
   93   2HG1  ILE  12          HG11      ILE  12  -7.270  -1.285   5.270
   94   1HG2  ILE  12          HG21      ILE  12  -4.159  -2.259   4.629
   95   2HG2  ILE  12          HG22      ILE  12  -3.942  -2.000   2.898
   96   3HG2  ILE  12          HG23      ILE  12  -4.856  -3.395   3.473
   97   1HD1  ILE  12          HD11      ILE  12  -8.898  -2.848   4.597
   98   2HD1  ILE  12          HD12      ILE  12  -7.756  -3.735   3.587
   99   3HD1  ILE  12          HD13      ILE  12  -8.342  -2.154   3.075
  100    H    CYS  13           HN       CYS  13  -6.348   0.966   1.706
  101    HA   CYS  13           HA       CYS  13  -4.005   0.869   0.132
  102   1HB   CYS  13          HB2       CYS  13  -6.424   1.409  -0.498
  103   2HB   CYS  13          HB1       CYS  13  -6.109   3.050   0.069
  104    HG   CYS  13           HG       CYS  13  -5.181   3.433  -2.195
  105    H    GLU  14           HN       GLU  14  -5.158   3.465   2.309
  106    HA   GLU  14           HA       GLU  14  -2.928   5.250   1.766
  107   1HB   GLU  14          HB2       GLU  14  -5.328   5.688   2.695
  108   2HB   GLU  14          HB1       GLU  14  -4.643   5.220   4.253
  109   1HG   GLU  14          HG2       GLU  14  -2.768   6.997   3.174
  110   2HG   GLU  14          HG1       GLU  14  -4.331   7.714   2.779
  111    H    VAL  15           HN       VAL  15  -3.714   2.957   4.400
  112    HA   VAL  15           HA       VAL  15  -1.385   3.450   6.007
  113    HB   VAL  15           HB       VAL  15  -3.261   1.090   5.655
  114   1HG1  VAL  15          HG11      VAL  15  -2.363   0.441   7.964
  115   2HG1  VAL  15          HG12      VAL  15  -1.021   1.539   7.641
  116   3HG1  VAL  15          HG13      VAL  15  -1.285   0.138   6.602
  117   1HG2  VAL  15          HG21      VAL  15  -4.299   3.132   6.524
  118   2HG2  VAL  15          HG22      VAL  15  -3.029   3.287   7.738
  119   3HG2  VAL  15          HG23      VAL  15  -4.167   1.941   7.817
  120    H    LEU  16           HN       LEU  16  -1.970   1.265   3.257
  121    HA   LEU  16           HA       LEU  16   0.579  -0.137   3.552
  122   1HB   LEU  16          HB2       LEU  16  -1.804  -0.650   2.332
  123   2HB   LEU  16          HB1       LEU  16  -0.856  -0.112   0.949
  124    HG   LEU  16           HG       LEU  16  -0.579  -2.496   1.108
  125   1HD1  LEU  16          HD11      LEU  16   1.872  -1.250   2.384
  126   2HD1  LEU  16          HD12      LEU  16   1.487  -1.137   0.667
  127   3HD1  LEU  16          HD13      LEU  16   1.817  -2.709   1.395
  128   1HD2  LEU  16          HD21      LEU  16   0.159  -3.607   3.158
  129   2HD2  LEU  16          HD22      LEU  16  -1.315  -2.694   3.478
  130   3HD2  LEU  16          HD23      LEU  16   0.246  -2.058   3.995
  131    H    SER  17           HN       SER  17  -0.619   2.595   1.588
  132    HA   SER  17           HA       SER  17   1.495   2.837  -0.268
  133   1HB   SER  17          HB2       SER  17  -0.581   4.530   0.945
  134   2HB   SER  17          HB1       SER  17   0.823   5.439   0.395
  135    HG   SER  17           HG       SER  17  -1.136   4.452  -1.061
  136    H    ASP  18           HN       ASP  18   1.291   4.366   2.985
  137    HA   ASP  18           HA       ASP  18   3.919   5.525   2.936
  138   1HB   ASP  18          HB2       ASP  18   2.102   6.122   4.516
  139   2HB   ASP  18          HB1       ASP  18   2.212   4.519   5.246
  140    H    PHE  19           HN       PHE  19   2.697   2.363   4.020
  141    HA   PHE  19           HA       PHE  19   5.189   1.352   5.064
  142   1HB   PHE  19          HB2       PHE  19   2.552   0.597   5.020
  143   2HB   PHE  19          HB1       PHE  19   3.245  -0.534   3.860
  144    HD1  PHE  19           HD1      PHE  19   5.268  -1.913   4.554
  145    HD2  PHE  19           HD2      PHE  19   2.908   0.335   7.350
  146    HE1  PHE  19           HE1      PHE  19   6.199  -3.257   6.418
  147    HE2  PHE  19           HE2      PHE  19   3.839  -1.008   9.215
  148    HZ   PHE  19           HZ       PHE  19   5.485  -2.804   8.750
  149    H    LYS  20           HN       LYS  20   3.727   1.403   1.823
  150    HA   LYS  20           HA       LYS  20   5.517  -0.461   0.553
  151   1HB   LYS  20          HB2       LYS  20   3.243   0.755  -0.148
  152   2HB   LYS  20          HB1       LYS  20   4.360   1.906  -0.884
  153   1HG   LYS  20          HG2       LYS  20   4.017   0.359  -2.614
  154   2HG   LYS  20          HG1       LYS  20   5.511  -0.221  -1.875
  155   1HD   LYS  20          HD2       LYS  20   4.207  -1.829  -0.516
  156   2HD   LYS  20          HD1       LYS  20   2.723  -1.264  -1.284
  157   1HE   LYS  20          HE2       LYS  20   3.750  -1.904  -3.522
  158   2HE   LYS  20          HE1       LYS  20   5.049  -2.696  -2.610
  159   1HZ   LYS  20          HZ1       LYS  20   3.356  -3.950  -1.389
  160   2HZ   LYS  20          HZ2       LYS  20   3.269  -4.264  -3.056
  161   3HZ   LYS  20          HZ3       LYS  20   2.135  -3.234  -2.323
  162    H    THR  21           HN       THR  21   5.601   3.100   0.942
  163    HA   THR  21           HA       THR  21   7.994   3.610  -0.539
  164    HB   THR  21           HB       THR  21   6.875   4.970   1.946
  165    HG1  THR  21           HG1      THR  21   5.377   5.655   0.668
  166   1HG2  THR  21          HG21      THR  21   8.876   5.792  -0.156
  167   2HG2  THR  21          HG22      THR  21   9.021   5.887   1.600
  168   3HG2  THR  21          HG23      THR  21   7.951   6.996   0.742
  169    H    TRP  22           HN       TRP  22   7.454   2.760   2.881
  170    HA   TRP  22           HA       TRP  22  10.206   2.861   3.729
  171   1HB   TRP  22          HB2       TRP  22   8.214   2.909   5.208
  172   2HB   TRP  22          HB1       TRP  22   7.817   1.261   4.725
  173    HD1  TRP  22           HD1      TRP  22  10.092   3.260   6.976
  174    HE1  TRP  22           HE1      TRP  22  11.464   1.652   8.453
  175    HE3  TRP  22           HE3      TRP  22   8.934  -1.184   4.752
  176    HZ2  TRP  22           HZ2      TRP  22  11.999  -1.154   8.661
  177    HZ3  TRP  22           HZ3      TRP  22   9.884  -3.306   5.605
  178    HH2  TRP  22           HH2      TRP  22  11.412  -3.298   7.553
  179    H    LEU  23           HN       LEU  23   8.123   0.209   2.523
  180    HA   LEU  23           HA       LEU  23  10.012  -1.923   2.789
  181   1HB   LEU  23          HB2       LEU  23   7.411  -1.403   1.641
  182   2HB   LEU  23          HB1       LEU  23   8.368  -2.345   0.503
  183    HG   LEU  23           HG       LEU  23   7.273  -3.947   1.883
  184   1HD1  LEU  23          HD11      LEU  23   9.082  -5.179   2.624
  185   2HD1  LEU  23          HD12      LEU  23   9.846  -3.792   3.401
  186   3HD1  LEU  23          HD13      LEU  23   9.930  -3.977   1.649
  187   1HD2  LEU  23          HD21      LEU  23   7.245  -1.888   3.772
  188   2HD2  LEU  23          HD22      LEU  23   8.263  -3.130   4.501
  189   3HD2  LEU  23          HD23      LEU  23   6.619  -3.521   4.000
  190    H    LYS  24           HN       LYS  24   9.384   0.354   0.106
  191    HA   LYS  24           HA       LYS  24  11.170  -0.789  -1.818
  192   1HB   LYS  24          HB2       LYS  24   9.370   1.002  -2.088
  193   2HB   LYS  24          HB1       LYS  24  10.524   2.147  -1.404
  194   1HG   LYS  24          HG2       LYS  24  11.599   0.475  -3.592
  195   2HG   LYS  24          HG1       LYS  24  10.317   1.587  -4.075
  196   1HD   LYS  24          HD2       LYS  24  11.883   3.158  -2.424
  197   2HD   LYS  24          HD1       LYS  24  13.078   2.163  -3.254
  198   1HE   LYS  24          HE2       LYS  24  10.871   3.455  -4.850
  199   2HE   LYS  24          HE1       LYS  24  12.301   4.400  -4.390
  200   1HZ   LYS  24          HZ1       LYS  24  12.705   3.281  -6.482
  201   2HZ   LYS  24          HZ2       LYS  24  12.306   1.778  -5.797
  202   3HZ   LYS  24          HZ3       LYS  24  13.697   2.608  -5.282
  203    H    ALA  25           HN       ALA  25  11.716   1.561   0.814
  204    HA   ALA  25           HA       ALA  25  14.429   2.243   0.152
  205   1HB   ALA  25          HB1       ALA  25  12.865   3.432   1.728
  206   2HB   ALA  25          HB2       ALA  25  14.449   3.113   2.433
  207   3HB   ALA  25          HB3       ALA  25  13.071   2.100   2.866
  208    H    LYS  26           HN       LYS  26  13.015  -0.293   2.231
  209    HA   LYS  26           HA       LYS  26  15.555  -1.388   3.117
  210   1HB   LYS  26          HB2       LYS  26  13.109  -1.562   4.053
  211   2HB   LYS  26          HB1       LYS  26  12.952  -2.902   2.915
  212   1HG   LYS  26          HG2       LYS  26  14.995  -3.937   3.928
  213   2HG   LYS  26          HG1       LYS  26  15.004  -2.649   5.135
  214   1HD   LYS  26          HD2       LYS  26  13.149  -3.463   6.226
  215   2HD   LYS  26          HD1       LYS  26  12.444  -4.131   4.753
  216   1HE   LYS  26          HE2       LYS  26  14.614  -5.723   4.915
  217   2HE   LYS  26          HE1       LYS  26  14.399  -5.366   6.641
  218   1HZ   LYS  26          HZ1       LYS  26  12.014  -5.898   6.361
  219   2HZ   LYS  26          HZ2       LYS  26  13.023  -7.233   6.073
  220   3HZ   LYS  26          HZ3       LYS  26  12.328  -6.392   4.769
  221    H    LEU  27           HN       LEU  27  13.311  -2.088   0.445
  222    HA   LEU  27           HA       LEU  27  14.898  -4.387  -0.501
  223   1HB   LEU  27          HB2       LEU  27  12.267  -3.713  -0.568
  224   2HB   LEU  27          HB1       LEU  27  12.764  -3.122  -2.153
  225    HG   LEU  27           HG       LEU  27  13.992  -5.532  -2.174
  226   1HD1  LEU  27          HD11      LEU  27  12.529  -7.210  -1.169
  227   2HD1  LEU  27          HD12      LEU  27  11.438  -5.952  -0.590
  228   3HD1  LEU  27          HD13      LEU  27  13.066  -6.084   0.078
  229   1HD2  LEU  27          HD21      LEU  27  11.792  -6.343  -3.298
  230   2HD2  LEU  27          HD22      LEU  27  12.598  -4.934  -3.986
  231   3HD2  LEU  27          HD23      LEU  27  11.187  -4.725  -2.948
  232    H    MET  28           HN       MET  28  14.321  -3.549  -3.369
  233    HA   MET  28           HA       MET  28  15.443  -2.468  -5.134
  234   1HB   MET  28          HB2       MET  28  14.519  -0.546  -3.652
  235   2HB   MET  28          HB1       MET  28  16.186  -0.357  -3.108
  236   1HG   MET  28          HG2       MET  28  16.705  -0.392  -5.703
  237   2HG   MET  28          HG1       MET  28  15.018   0.110  -5.830
  238   1HE   MET  28          HE1       MET  28  16.831   3.385  -6.455
  239   2HE   MET  28          HE2       MET  28  16.231   1.874  -7.135
  240   3HE   MET  28          HE3       MET  28  17.895   1.977  -6.568
  241    HA   PRO  29           HA       PRO  29  19.521  -4.027  -3.837
  242   1HB   PRO  29          HB2       PRO  29  20.104  -5.230  -6.224
  243   2HB   PRO  29          HB1       PRO  29  19.108  -5.999  -4.974
  244   1HG   PRO  29          HG2       PRO  29  18.285  -4.663  -7.492
  245   2HG   PRO  29          HG1       PRO  29  17.586  -6.069  -6.675
  246   1HD   PRO  29          HD2       PRO  29  16.541  -3.520  -6.586
  247   2HD   PRO  29          HD1       PRO  29  16.222  -4.788  -5.384
  248    H    GLN  30           HN       GLN  30  19.321  -1.330  -4.380
  249    HA   GLN  30           HA       GLN  30  21.764  -0.781  -5.901
  250   1HB   GLN  30          HB2       GLN  30  19.321  -0.915  -7.247
  251   2HB   GLN  30          HB1       GLN  30  19.548   0.809  -6.968
  252   1HG   GLN  30          HG2       GLN  30  21.183   0.926  -8.519
  253   2HG   GLN  30          HG1       GLN  30  22.027  -0.456  -7.819
  254   1HE2  GLN  30          HE21      GLN  30  20.829  -2.675  -8.335
  255   2HE2  GLN  30          HE22      GLN  30  20.256  -2.839  -9.925
  256    H    LEU  31           HN       LEU  31  21.140  -0.314  -3.185
  257    HA   LEU  31           HA       LEU  31  20.952   2.678  -3.120
  258   1HB   LEU  31          HB2       LEU  31  19.496   2.515  -1.220
  259   2HB   LEU  31          HB1       LEU  31  18.872   1.378  -2.412
  260    HG   LEU  31           HG       LEU  31  20.656  -0.195  -1.032
  261   1HD1  LEU  31          HD11      LEU  31  21.145   1.391   0.689
  262   2HD1  LEU  31          HD12      LEU  31  20.001   0.251   1.399
  263   3HD1  LEU  31          HD13      LEU  31  19.447   1.836   0.858
  264   1HD2  LEU  31          HD21      LEU  31  18.766  -1.388  -0.455
  265   2HD2  LEU  31          HD22      LEU  31  18.049  -0.304  -1.646
  266   3HD2  LEU  31          HD23      LEU  31  17.893   0.049   0.075
  Start of MODEL   37
    1   1H    SER   1           HT1      SER   1 -22.043   3.455  -3.451
    2   2H    SER   1           HT2      SER   1 -21.473   4.825  -4.282
    3   3H    SER   1           HT3      SER   1 -20.374   3.718  -3.607
    4    HA   SER   1           HA       SER   1 -22.266   3.091  -5.823
    5   1HB   SER   1          HB2       SER   1 -19.292   3.699  -5.760
    6   2HB   SER   1          HB1       SER   1 -20.196   3.211  -7.191
    7    HG   SER   1           HG       SER   1 -20.298   5.359  -7.306
    8    H    GLY   2           HN       GLY   2 -21.863   0.953  -6.718
    9   1HA   GLY   2          HA2       GLY   2 -21.118  -1.288  -6.688
   10   2HA   GLY   2          HA1       GLY   2 -19.939  -0.842  -5.455
   11    H    SER   3           HN       SER   3 -20.369  -2.443  -3.931
   12    HA   SER   3           HA       SER   3 -23.148  -2.480  -2.790
   13   1HB   SER   3          HB2       SER   3 -21.116  -4.659  -3.310
   14   2HB   SER   3          HB1       SER   3 -22.472  -4.898  -2.211
   15    HG   SER   3           HG       SER   3 -22.474  -5.139  -4.818
   16    H    TRP   4           HN       TRP   4 -19.824  -3.524  -1.867
   17    HA   TRP   4           HA       TRP   4 -19.924  -1.841   0.557
   18   1HB   TRP   4          HB2       TRP   4 -21.060  -4.318   0.660
   19   2HB   TRP   4          HB1       TRP   4 -19.399  -4.716   1.093
   20    HD1  TRP   4           HD1      TRP   4 -22.149  -2.200   2.130
   21    HE1  TRP   4           HE1      TRP   4 -21.892  -1.725   4.652
   22    HE3  TRP   4           HE3      TRP   4 -17.967  -4.955   3.127
   23    HZ2  TRP   4           HZ2      TRP   4 -20.144  -2.422   6.804
   24    HZ3  TRP   4           HZ3      TRP   4 -17.027  -5.032   5.418
   25    HH2  TRP   4           HH2      TRP   4 -18.110  -3.769   7.257
   26    H    LEU   5           HN       LEU   5 -17.830  -2.689   1.959
   27    HA   LEU   5           HA       LEU   5 -15.481  -2.764   2.048
   28   1HB   LEU   5          HB2       LEU   5 -16.011  -4.335  -0.497
   29   2HB   LEU   5          HB1       LEU   5 -14.461  -4.293   0.338
   30    HG   LEU   5           HG       LEU   5 -16.313  -4.886   2.349
   31   1HD1  LEU   5          HD11      LEU   5 -17.893  -6.342   1.558
   32   2HD1  LEU   5          HD12      LEU   5 -16.842  -6.950   0.279
   33   3HD1  LEU   5          HD13      LEU   5 -17.687  -5.415   0.072
   34   1HD2  LEU   5          HD21      LEU   5 -15.102  -6.931   2.508
   35   2HD2  LEU   5          HD22      LEU   5 -13.952  -5.771   1.844
   36   3HD2  LEU   5          HD23      LEU   5 -14.739  -6.939   0.783
   37    H    ARG   6           HN       ARG   6 -16.904  -0.557   0.459
   38    HA   ARG   6           HA       ARG   6 -15.193   0.130  -1.787
   39   1HB   ARG   6          HB2       ARG   6 -17.538   0.882  -1.481
   40   2HB   ARG   6          HB1       ARG   6 -17.050   1.803  -0.059
   41   1HG   ARG   6          HG2       ARG   6 -15.318   2.472  -2.263
   42   2HG   ARG   6          HG1       ARG   6 -16.998   2.653  -2.766
   43   1HD   ARG   6          HD2       ARG   6 -17.273   4.502  -1.473
   44   2HD   ARG   6          HD1       ARG   6 -16.531   3.709  -0.069
   45    HE   ARG   6           HE       ARG   6 -14.842   4.766  -2.307
   46   1HH1  ARG   6          HH21      ARG   6 -15.900   6.287   0.303
   47   2HH1  ARG   6          HH22      ARG   6 -14.420   6.317   1.203
   48   1HH2  ARG   6          HH11      ARG   6 -12.815   4.014  -0.844
   49   2HH2  ARG   6          HH12      ARG   6 -12.669   5.031   0.551
   50    H    ASP   7           HN       ASP   7 -15.370   1.248   1.614
   51    HA   ASP   7           HA       ASP   7 -12.887   2.830   1.238
   52   1HB   ASP   7          HB2       ASP   7 -15.056   3.557   2.451
   53   2HB   ASP   7          HB1       ASP   7 -14.510   2.511   3.764
   54    H    ILE   8           HN       ILE   8 -13.980  -0.181   2.736
   55    HA   ILE   8           HA       ILE   8 -11.895  -0.583   4.620
   56    HB   ILE   8           HB       ILE   8 -14.099  -1.901   3.949
   57   1HG1  ILE   8          HG12      ILE   8 -12.832  -2.393   5.958
   58   2HG1  ILE   8          HG11      ILE   8 -13.209  -3.905   5.137
   59   1HG2  ILE   8          HG21      ILE   8 -11.960  -3.475   2.484
   60   2HG2  ILE   8          HG22      ILE   8 -13.283  -2.593   1.721
   61   3HG2  ILE   8          HG23      ILE   8 -13.627  -3.987   2.743
   62   1HD1  ILE   8          HD11      ILE   8 -10.940  -4.161   5.677
   63   2HD1  ILE   8          HD12      ILE   8 -10.567  -2.477   5.315
   64   3HD1  ILE   8          HD13      ILE   8 -10.884  -3.612   4.003
   65    H    TRP   9           HN       TRP   9 -11.945  -1.166   1.100
   66    HA   TRP   9           HA       TRP   9  -9.243  -2.324   1.122
   67   1HB   TRP   9          HB2       TRP   9 -11.283  -1.527  -0.965
   68   2HB   TRP   9          HB1       TRP   9  -9.659  -2.029  -1.432
   69    HD1  TRP   9           HD1      TRP   9  -9.335  -4.271   0.876
   70    HE1  TRP   9           HE1      TRP   9 -10.596  -6.503   0.603
   71    HE3  TRP   9           HE3      TRP   9 -12.960  -2.842  -2.428
   72    HZ2  TRP   9           HZ2      TRP   9 -12.841  -7.545  -0.826
   73    HZ3  TRP   9           HZ3      TRP   9 -14.644  -4.474  -3.228
   74    HH2  TRP   9           HH2      TRP   9 -14.589  -6.821  -2.432
   75    H    ASP  10           HN       ASP  10 -10.783   0.795   0.448
   76    HA   ASP  10           HA       ASP  10  -8.476   2.131  -0.662
   77   1HB   ASP  10          HB2       ASP  10 -10.721   2.963  -1.006
   78   2HB   ASP  10          HB1       ASP  10 -11.014   3.040   0.732
   79    H    TRP  11           HN       TRP  11  -9.882   2.029   2.636
   80    HA   TRP  11           HA       TRP  11  -8.003   3.723   3.931
   81   1HB   TRP  11          HB2       TRP  11  -9.380   3.198   5.662
   82   2HB   TRP  11          HB1       TRP  11 -10.229   2.125   4.567
   83    HD1  TRP  11           HD1      TRP  11 -10.298  -0.313   5.241
   84    HE1  TRP  11           HE1      TRP  11  -9.012  -1.815   6.891
   85    HE3  TRP  11           HE3      TRP  11  -6.737   2.978   6.837
   86    HZ2  TRP  11           HZ2      TRP  11  -6.772  -1.647   8.654
   87    HZ3  TRP  11           HZ3      TRP  11  -5.039   2.277   8.501
   88    HH2  TRP  11           HH2      TRP  11  -5.053  -0.026   9.412
   89    H    ILE  12           HN       ILE  12  -7.859   0.245   3.172
   90    HA   ILE  12           HA       ILE  12  -5.400  -0.296   4.597
   91    HB   ILE  12           HB       ILE  12  -7.038  -1.581   2.414
   92   1HG1  ILE  12          HG12      ILE  12  -7.778  -1.820   4.737
   93   2HG1  ILE  12          HG11      ILE  12  -7.208  -3.375   4.134
   94   1HG2  ILE  12          HG21      ILE  12  -4.793  -2.122   1.716
   95   2HG2  ILE  12          HG22      ILE  12  -5.439  -3.539   2.544
   96   3HG2  ILE  12          HG23      ILE  12  -4.305  -2.473   3.374
   97   1HD1  ILE  12          HD11      ILE  12  -4.927  -2.741   5.149
   98   2HD1  ILE  12          HD12      ILE  12  -6.213  -3.162   6.281
   99   3HD1  ILE  12          HD13      ILE  12  -5.798  -1.470   6.008
  100    H    CYS  13           HN       CYS  13  -6.143   0.750   1.272
  101    HA   CYS  13           HA       CYS  13  -3.493   0.517   0.205
  102   1HB   CYS  13          HB2       CYS  13  -5.850   0.938  -0.874
  103   2HB   CYS  13          HB1       CYS  13  -5.472   2.641  -0.604
  104    HG   CYS  13           HG       CYS  13  -3.565   0.806  -2.279
  105    H    GLU  14           HN       GLU  14  -5.162   3.187   1.892
  106    HA   GLU  14           HA       GLU  14  -3.095   5.160   1.557
  107   1HB   GLU  14          HB2       GLU  14  -5.534   5.447   2.231
  108   2HB   GLU  14          HB1       GLU  14  -5.078   4.869   3.835
  109   1HG   GLU  14          HG2       GLU  14  -4.680   7.069   4.269
  110   2HG   GLU  14          HG1       GLU  14  -3.170   6.788   3.403
  111    H    VAL  15           HN       VAL  15  -3.845   2.987   4.319
  112    HA   VAL  15           HA       VAL  15  -1.540   3.795   5.875
  113    HB   VAL  15           HB       VAL  15  -3.704   2.783   6.697
  114   1HG1  VAL  15          HG11      VAL  15  -2.461   0.243   5.595
  115   2HG1  VAL  15          HG12      VAL  15  -3.941   1.009   5.019
  116   3HG1  VAL  15          HG13      VAL  15  -3.884   0.308   6.635
  117   1HG2  VAL  15          HG21      VAL  15  -1.739   2.875   8.151
  118   2HG2  VAL  15          HG22      VAL  15  -1.127   1.374   7.457
  119   3HG2  VAL  15          HG23      VAL  15  -2.604   1.363   8.419
  120    H    LEU  16           HN       LEU  16  -2.052   1.317   3.403
  121    HA   LEU  16           HA       LEU  16   0.438  -0.108   4.010
  122   1HB   LEU  16          HB2       LEU  16  -1.732  -1.032   3.004
  123   2HB   LEU  16          HB1       LEU  16  -1.259  -0.233   1.505
  124    HG   LEU  16           HG       LEU  16   0.991  -1.481   1.777
  125   1HD1  LEU  16          HD11      LEU  16   0.587  -3.707   3.012
  126   2HD1  LEU  16          HD12      LEU  16  -0.770  -2.890   3.787
  127   3HD1  LEU  16          HD13      LEU  16   0.870  -2.280   4.009
  128   1HD2  LEU  16          HD21      LEU  16  -0.038  -3.591   0.817
  129   2HD2  LEU  16          HD22      LEU  16  -0.548  -2.099   0.025
  130   3HD2  LEU  16          HD23      LEU  16  -1.620  -2.898   1.176
  131    H    SER  17           HN       SER  17  -0.621   2.401   1.720
  132    HA   SER  17           HA       SER  17   1.581   2.356  -0.077
  133   1HB   SER  17          HB2       SER  17  -0.318   4.471   0.936
  134   2HB   SER  17          HB1       SER  17   0.927   4.871  -0.245
  135    HG   SER  17           HG       SER  17  -1.301   3.176  -0.462
  136    H    ASP  18           HN       ASP  18   1.186   4.224   2.968
  137    HA   ASP  18           HA       ASP  18   3.737   5.532   2.892
  138   1HB   ASP  18          HB2       ASP  18   1.937   6.218   4.384
  139   2HB   ASP  18          HB1       ASP  18   1.925   4.636   5.164
  140    H    PHE  19           HN       PHE  19   2.693   2.440   4.346
  141    HA   PHE  19           HA       PHE  19   5.290   1.718   5.400
  142   1HB   PHE  19          HB2       PHE  19   2.781   0.892   5.814
  143   2HB   PHE  19          HB1       PHE  19   3.227  -0.303   4.596
  144    HD1  PHE  19           HD1      PHE  19   5.113   1.328   7.410
  145    HD2  PHE  19           HD2      PHE  19   3.761  -2.332   5.614
  146    HE1  PHE  19           HE1      PHE  19   6.339   0.031   9.129
  147    HE2  PHE  19           HE2      PHE  19   4.989  -3.628   7.333
  148    HZ   PHE  19           HZ       PHE  19   6.279  -2.448   9.090
  149    H    LYS  20           HN       LYS  20   3.702   1.303   2.263
  150    HA   LYS  20           HA       LYS  20   5.469  -0.730   1.215
  151   1HB   LYS  20          HB2       LYS  20   3.131   0.158   0.449
  152   2HB   LYS  20          HB1       LYS  20   4.061   1.380  -0.418
  153   1HG   LYS  20          HG2       LYS  20   4.063  -0.205  -2.068
  154   2HG   LYS  20          HG1       LYS  20   5.428  -0.840  -1.150
  155   1HD   LYS  20          HD2       LYS  20   3.087  -1.844   0.096
  156   2HD   LYS  20          HD1       LYS  20   2.867  -2.066  -1.640
  157   1HE   LYS  20          HE2       LYS  20   4.687  -3.506  -1.827
  158   2HE   LYS  20          HE1       LYS  20   5.520  -2.798  -0.429
  159   1HZ   LYS  20          HZ1       LYS  20   3.070  -4.481  -0.380
  160   2HZ   LYS  20          HZ2       LYS  20   3.689  -3.663   0.975
  161   3HZ   LYS  20          HZ3       LYS  20   4.597  -4.891   0.233
  162    H    THR  21           HN       THR  21   5.421   2.847   0.868
  163    HA   THR  21           HA       THR  21   7.746   3.083  -0.777
  164    HB   THR  21           HB       THR  21   6.441   4.896   1.283
  165    HG1  THR  21           HG1      THR  21   5.090   4.974  -0.319
  166   1HG2  THR  21          HG21      THR  21   8.853   5.281  -0.428
  167   2HG2  THR  21          HG22      THR  21   8.459   5.991   1.138
  168   3HG2  THR  21          HG23      THR  21   7.715   6.625  -0.331
  169    H    TRP  22           HN       TRP  22   7.378   3.049   2.777
  170    HA   TRP  22           HA       TRP  22  10.133   3.531   3.433
  171   1HB   TRP  22          HB2       TRP  22   8.374   3.805   5.061
  172   2HB   TRP  22          HB1       TRP  22   7.813   2.150   4.821
  173    HD1  TRP  22           HD1      TRP  22  10.764   4.116   6.307
  174    HE1  TRP  22           HE1      TRP  22  11.950   2.619   8.039
  175    HE3  TRP  22           HE3      TRP  22   8.202  -0.244   5.606
  176    HZ2  TRP  22           HZ2      TRP  22  11.824  -0.075   9.003
  177    HZ3  TRP  22           HZ3      TRP  22   8.749  -2.255   6.944
  178    HH2  TRP  22           HH2      TRP  22  10.555  -2.179   8.636
  179    H    LEU  23           HN       LEU  23   8.274   0.489   3.033
  180    HA   LEU  23           HA       LEU  23  10.508  -1.265   3.577
  181   1HB   LEU  23          HB2       LEU  23   7.705  -1.402   2.688
  182   2HB   LEU  23          HB1       LEU  23   8.716  -2.683   2.021
  183    HG   LEU  23           HG       LEU  23   9.229  -2.191   4.864
  184   1HD1  LEU  23          HD11      LEU  23   6.455  -2.679   3.884
  185   2HD1  LEU  23          HD12      LEU  23   7.003  -1.838   5.333
  186   3HD1  LEU  23          HD13      LEU  23   6.994  -3.601   5.288
  187   1HD2  LEU  23          HD21      LEU  23   8.357  -4.677   3.362
  188   2HD2  LEU  23          HD22      LEU  23   9.144  -4.618   4.939
  189   3HD2  LEU  23          HD23      LEU  23  10.030  -4.134   3.493
  190    H    LYS  24           HN       LYS  24   9.009  -0.108   0.530
  191    HA   LYS  24           HA       LYS  24  10.692  -1.554  -1.277
  192   1HB   LYS  24          HB2       LYS  24   8.505  -0.006  -1.491
  193   2HB   LYS  24          HB1       LYS  24   9.716   1.188  -1.956
  194   1HG   LYS  24          HG2       LYS  24   9.824  -1.544  -3.192
  195   2HG   LYS  24          HG1       LYS  24   8.631  -0.386  -3.781
  196   1HD   LYS  24          HD2       LYS  24  10.202   0.821  -4.863
  197   2HD   LYS  24          HD1       LYS  24  11.257   0.842  -3.450
  198   1HE   LYS  24          HE2       LYS  24  11.900  -1.558  -4.028
  199   2HE   LYS  24          HE1       LYS  24  11.059  -1.316  -5.573
  200   1HZ   LYS  24          HZ1       LYS  24  13.221   0.418  -4.489
  201   2HZ   LYS  24          HZ2       LYS  24  12.405   0.657  -5.961
  202   3HZ   LYS  24          HZ3       LYS  24  13.399  -0.703  -5.749
  203    H    ALA  25           HN       ALA  25  11.098   1.635   0.282
  204    HA   ALA  25           HA       ALA  25  13.461   2.446  -1.140
  205   1HB   ALA  25          HB1       ALA  25  13.703   3.954   0.858
  206   2HB   ALA  25          HB2       ALA  25  12.412   3.049   1.648
  207   3HB   ALA  25          HB3       ALA  25  12.075   3.968   0.180
  208    H    LYS  26           HN       LYS  26  12.965   0.497   1.800
  209    HA   LYS  26           HA       LYS  26  15.823   0.246   2.389
  210   1HB   LYS  26          HB2       LYS  26  13.613   0.111   3.868
  211   2HB   LYS  26          HB1       LYS  26  13.696  -1.596   3.434
  212   1HG   LYS  26          HG2       LYS  26  16.322  -0.686   4.193
  213   2HG   LYS  26          HG1       LYS  26  15.168  -0.254   5.455
  214   1HD   LYS  26          HD2       LYS  26  14.292  -2.680   5.207
  215   2HD   LYS  26          HD1       LYS  26  15.807  -2.991   4.358
  216   1HE   LYS  26          HE2       LYS  26  15.905  -1.586   7.019
  217   2HE   LYS  26          HE1       LYS  26  15.690  -3.347   6.976
  218   1HZ   LYS  26          HZ1       LYS  26  17.825  -1.824   5.568
  219   2HZ   LYS  26          HZ2       LYS  26  17.602  -3.507   5.493
  220   3HZ   LYS  26          HZ3       LYS  26  18.044  -2.771   6.959
  221    H    LEU  27           HN       LEU  27  13.360  -1.659   0.686
  222    HA   LEU  27           HA       LEU  27  14.985  -4.066   0.433
  223   1HB   LEU  27          HB2       LEU  27  12.346  -3.027  -0.361
  224   2HB   LEU  27          HB1       LEU  27  13.052  -4.118  -1.551
  225    HG   LEU  27           HG       LEU  27  11.668  -5.316   0.142
  226   1HD1  LEU  27          HD11      LEU  27  14.513  -6.110   0.668
  227   2HD1  LEU  27          HD12      LEU  27  13.897  -6.178  -0.984
  228   3HD1  LEU  27          HD13      LEU  27  13.121  -7.124   0.286
  229   1HD2  LEU  27          HD21      LEU  27  12.584  -3.594   1.965
  230   2HD2  LEU  27          HD22      LEU  27  13.798  -4.852   2.194
  231   3HD2  LEU  27          HD23      LEU  27  12.089  -5.224   2.417
  232    H    MET  28           HN       MET  28  14.099  -1.403  -1.793
  233    HA   MET  28           HA       MET  28  15.184  -0.566  -3.705
  234   1HB   MET  28          HB2       MET  28  17.212  -1.710  -1.965
  235   2HB   MET  28          HB1       MET  28  17.681  -1.865  -3.658
  236   1HG   MET  28          HG2       MET  28  17.024   0.606  -3.901
  237   2HG   MET  28          HG1       MET  28  16.990   0.654  -2.138
  238   1HE   MET  28          HE1       MET  28  20.552   0.078  -4.940
  239   2HE   MET  28          HE2       MET  28  18.860   0.366  -5.339
  240   3HE   MET  28          HE3       MET  28  19.367  -1.225  -4.774
  241    HA   PRO  29           HA       PRO  29  14.705  -3.675  -6.779
  242   1HB   PRO  29          HB2       PRO  29  16.126  -2.620  -8.863
  243   2HB   PRO  29          HB1       PRO  29  14.577  -1.951  -8.317
  244   1HG   PRO  29          HG2       PRO  29  17.328  -0.959  -7.870
  245   2HG   PRO  29          HG1       PRO  29  15.814  -0.061  -8.037
  246   1HD   PRO  29          HD2       PRO  29  17.121  -0.598  -5.645
  247   2HD   PRO  29          HD1       PRO  29  15.424  -0.099  -5.808
  248    H    GLN  30           HN       GLN  30  16.211  -4.897  -8.561
  249    HA   GLN  30           HA       GLN  30  18.251  -6.309  -7.051
  250   1HB   GLN  30          HB2       GLN  30  18.526  -7.525  -9.221
  251   2HB   GLN  30          HB1       GLN  30  16.841  -7.406  -8.724
  252   1HG   GLN  30          HG2       GLN  30  17.258  -5.092 -10.233
  253   2HG   GLN  30          HG1       GLN  30  18.147  -6.339 -11.108
  254   1HE2  GLN  30          HE21      GLN  30  16.875  -8.356 -11.683
  255   2HE2  GLN  30          HE22      GLN  30  15.200  -8.224 -11.919
  256    H    LEU  31           HN       LEU  31  19.893  -4.793  -6.497
  257    HA   LEU  31           HA       LEU  31  21.594  -3.885  -8.795
  258   1HB   LEU  31          HB2       LEU  31  19.997  -2.215  -7.444
  259   2HB   LEU  31          HB1       LEU  31  21.345  -2.238  -6.305
  260    HG   LEU  31           HG       LEU  31  21.821  -1.785  -9.249
  261   1HD1  LEU  31          HD11      LEU  31  21.003   0.234  -7.146
  262   2HD1  LEU  31          HD12      LEU  31  20.241  -0.064  -8.708
  263   3HD1  LEU  31          HD13      LEU  31  21.835   0.687  -8.633
  264   1HD2  LEU  31          HD21      LEU  31  23.730  -0.418  -8.132
  265   2HD2  LEU  31          HD22      LEU  31  23.839  -2.177  -8.089
  266   3HD2  LEU  31          HD23      LEU  31  23.297  -1.292  -6.663
  Start of MODEL   38
    1   1H    SER   1           HT1      SER   1 -25.455  -6.141   8.797
    2   2H    SER   1           HT2      SER   1 -24.505  -4.786   8.411
    3   3H    SER   1           HT3      SER   1 -23.847  -6.348   8.296
    4    HA   SER   1           HA       SER   1 -25.511  -6.864   6.530
    5   1HB   SER   1          HB2       SER   1 -25.950  -3.868   6.746
    6   2HB   SER   1          HB1       SER   1 -26.776  -4.971   5.651
    7    HG   SER   1           HG       SER   1 -28.127  -4.794   7.348
    8    H    GLY   2           HN       GLY   2 -23.850  -3.667   6.595
    9   1HA   GLY   2          HA2       GLY   2 -21.684  -3.260   5.589
   10   2HA   GLY   2          HA1       GLY   2 -21.895  -4.716   4.615
   11    H    SER   3           HN       SER   3 -22.802  -1.329   4.938
   12    HA   SER   3           HA       SER   3 -24.410  -1.331   2.469
   13   1HB   SER   3          HB2       SER   3 -24.971   0.078   4.405
   14   2HB   SER   3          HB1       SER   3 -23.393   0.856   4.316
   15    HG   SER   3           HG       SER   3 -25.576   1.006   2.528
   16    H    TRP   4           HN       TRP   4 -21.202  -0.153   3.519
   17    HA   TRP   4           HA       TRP   4 -20.416   0.032   0.640
   18   1HB   TRP   4          HB2       TRP   4 -19.099   2.153   1.507
   19   2HB   TRP   4          HB1       TRP   4 -20.801   2.296   1.082
   20    HD1  TRP   4           HD1      TRP   4 -22.561   2.521   3.061
   21    HE1  TRP   4           HE1      TRP   4 -22.305   3.249   5.518
   22    HE3  TRP   4           HE3      TRP   4 -17.488   2.122   3.584
   23    HZ2  TRP   4           HZ2      TRP   4 -20.231   3.623   7.447
   24    HZ3  TRP   4           HZ3      TRP   4 -16.406   2.679   5.742
   25    HH2  TRP   4           HH2      TRP   4 -17.769   3.426   7.671
   26    H    LEU   5           HN       LEU   5 -18.607  -1.174   0.329
   27    HA   LEU   5           HA       LEU   5 -16.784  -1.655   2.668
   28   1HB   LEU   5          HB2       LEU   5 -17.850  -3.319   0.415
   29   2HB   LEU   5          HB1       LEU   5 -16.245  -3.702   1.037
   30    HG   LEU   5           HG       LEU   5 -17.343  -3.626   3.378
   31   1HD1  LEU   5          HD11      LEU   5 -19.848  -4.464   2.982
   32   2HD1  LEU   5          HD12      LEU   5 -19.697  -3.461   1.540
   33   3HD1  LEU   5          HD13      LEU   5 -19.470  -2.749   3.137
   34   1HD2  LEU   5          HD21      LEU   5 -17.744  -5.741   1.275
   35   2HD2  LEU   5          HD22      LEU   5 -18.387  -5.985   2.898
   36   3HD2  LEU   5          HD23      LEU   5 -16.656  -5.749   2.663
   37    H    ARG   6           HN       ARG   6 -16.900  -0.971  -0.835
   38    HA   ARG   6           HA       ARG   6 -14.148  -1.018  -1.464
   39   1HB   ARG   6          HB2       ARG   6 -16.268  -0.603  -2.897
   40   2HB   ARG   6          HB1       ARG   6 -16.088   1.089  -2.435
   41   1HG   ARG   6          HG2       ARG   6 -13.568   0.639  -3.208
   42   2HG   ARG   6          HG1       ARG   6 -14.357  -0.593  -4.195
   43   1HD   ARG   6          HD2       ARG   6 -15.969   1.719  -4.449
   44   2HD   ARG   6          HD1       ARG   6 -14.291   2.273  -4.609
   45    HE   ARG   6           HE       ARG   6 -14.042   0.308  -6.266
   46   1HH1  ARG   6          HH21      ARG   6 -15.288   2.602  -7.621
   47   2HH1  ARG   6          HH22      ARG   6 -16.747   1.935  -8.273
   48   1HH2  ARG   6          HH11      ARG   6 -16.681  -0.879  -6.233
   49   2HH2  ARG   6          HH12      ARG   6 -17.539  -0.043  -7.484
   50    H    ASP   7           HN       ASP   7 -16.072   1.590   0.036
   51    HA   ASP   7           HA       ASP   7 -14.013   3.588   0.108
   52   1HB   ASP   7          HB2       ASP   7 -16.537   3.792   0.451
   53   2HB   ASP   7          HB1       ASP   7 -16.273   3.179   2.085
   54    H    ILE   8           HN       ILE   8 -14.719   0.829   2.192
   55    HA   ILE   8           HA       ILE   8 -12.952   1.712   4.369
   56    HB   ILE   8           HB       ILE   8 -13.909  -1.116   3.906
   57   1HG1  ILE   8          HG12      ILE   8 -15.601   1.211   4.883
   58   2HG1  ILE   8          HG11      ILE   8 -15.865   0.264   3.419
   59   1HG2  ILE   8          HG21      ILE   8 -14.116  -1.058   6.371
   60   2HG2  ILE   8          HG22      ILE   8 -13.611   0.632   6.369
   61   3HG2  ILE   8          HG23      ILE   8 -12.487  -0.625   5.853
   62   1HD1  ILE   8          HD11      ILE   8 -15.837  -0.956   6.189
   63   2HD1  ILE   8          HD12      ILE   8 -16.354  -1.719   4.685
   64   3HD1  ILE   8          HD13      ILE   8 -17.309  -0.413   5.387
   65    H    TRP   9           HN       TRP   9 -12.770  -0.362   1.517
   66    HA   TRP   9           HA       TRP   9 -10.388  -1.791   2.088
   67   1HB   TRP   9          HB2       TRP   9 -11.568  -0.746  -0.501
   68   2HB   TRP   9          HB1       TRP   9 -10.257  -1.918  -0.430
   69    HD1  TRP   9           HD1      TRP   9 -12.709  -2.938  -1.828
   70    HE1  TRP   9           HE1      TRP   9 -14.240  -4.755  -0.838
   71    HE3  TRP   9           HE3      TRP   9 -11.550  -2.490   3.141
   72    HZ2  TRP   9           HZ2      TRP   9 -14.890  -5.871   1.703
   73    HZ3  TRP   9           HZ3      TRP   9 -12.645  -3.947   4.813
   74    HH2  TRP   9           HH2      TRP   9 -14.312  -5.635   4.103
   75    H    ASP  10           HN       ASP  10 -10.834   1.436   0.608
   76    HA   ASP  10           HA       ASP  10  -8.075   1.922  -0.020
   77   1HB   ASP  10          HB2       ASP  10  -9.946   3.213  -0.937
   78   2HB   ASP  10          HB1       ASP  10 -10.368   3.788   0.677
   79    H    TRP  11           HN       TRP  11  -9.981   2.449   2.941
   80    HA   TRP  11           HA       TRP  11  -8.104   4.015   4.401
   81   1HB   TRP  11          HB2       TRP  11  -9.951   3.924   5.705
   82   2HB   TRP  11          HB1       TRP  11 -10.569   2.555   4.793
   83    HD1  TRP  11           HD1      TRP  11 -10.865   0.432   6.127
   84    HE1  TRP  11           HE1      TRP  11  -9.928  -0.524   8.329
   85    HE3  TRP  11           HE3      TRP  11  -7.506   4.089   7.323
   86    HZ2  TRP  11           HZ2      TRP  11  -8.012   0.168  10.331
   87    HZ3  TRP  11           HZ3      TRP  11  -6.141   3.912   9.382
   88    HH2  TRP  11           HH2      TRP  11  -6.389   1.960  10.888
   89    H    ILE  12           HN       ILE  12  -8.250   0.512   3.822
   90    HA   ILE  12           HA       ILE  12  -5.931   0.045   5.624
   91    HB   ILE  12           HB       ILE  12  -7.940  -1.627   4.115
   92   1HG1  ILE  12          HG12      ILE  12  -8.596  -0.930   6.326
   93   2HG1  ILE  12          HG11      ILE  12  -8.156  -2.632   6.432
   94   1HG2  ILE  12          HG21      ILE  12  -5.960  -2.856   3.633
   95   2HG2  ILE  12          HG22      ILE  12  -6.637  -3.635   5.063
   96   3HG2  ILE  12          HG23      ILE  12  -5.274  -2.528   5.225
   97   1HD1  ILE  12          HD11      ILE  12  -7.038  -1.694   8.276
   98   2HD1  ILE  12          HD12      ILE  12  -6.621  -0.225   7.394
   99   3HD1  ILE  12          HD13      ILE  12  -5.781  -1.735   7.041
  100    H    CYS  13           HN       CYS  13  -6.742   0.138   2.174
  101    HA   CYS  13           HA       CYS  13  -4.236  -1.027   1.268
  102   1HB   CYS  13          HB2       CYS  13  -6.465  -0.938   0.059
  103   2HB   CYS  13          HB1       CYS  13  -6.176   0.782  -0.206
  104    HG   CYS  13           HG       CYS  13  -5.247  -0.925  -2.181
  105    H    GLU  14           HN       GLU  14  -5.472   2.333   1.491
  106    HA   GLU  14           HA       GLU  14  -3.213   3.674   0.400
  107   1HB   GLU  14          HB2       GLU  14  -5.507   4.580   0.930
  108   2HB   GLU  14          HB1       GLU  14  -5.056   4.585   2.634
  109   1HG   GLU  14          HG2       GLU  14  -2.926   5.896   1.497
  110   2HG   GLU  14          HG1       GLU  14  -4.263   6.431   0.478
  111    H    VAL  15           HN       VAL  15  -3.968   3.013   3.855
  112    HA   VAL  15           HA       VAL  15  -1.540   4.069   4.933
  113    HB   VAL  15           HB       VAL  15  -3.646   3.551   6.169
  114   1HG1  VAL  15          HG11      VAL  15  -2.738   0.666   5.912
  115   2HG1  VAL  15          HG12      VAL  15  -4.111   1.373   5.061
  116   3HG1  VAL  15          HG13      VAL  15  -4.136   1.243   6.818
  117   1HG2  VAL  15          HG21      VAL  15  -2.546   3.167   8.161
  118   2HG2  VAL  15          HG22      VAL  15  -1.157   3.540   7.141
  119   3HG2  VAL  15          HG23      VAL  15  -1.568   1.861   7.493
  120    H    LEU  16           HN       LEU  16  -2.294   0.876   3.573
  121    HA   LEU  16           HA       LEU  16   0.075  -0.490   4.502
  122   1HB   LEU  16          HB2       LEU  16  -2.117  -1.422   3.552
  123   2HB   LEU  16          HB1       LEU  16  -1.495  -0.997   1.958
  124    HG   LEU  16           HG       LEU  16   0.551  -2.398   3.417
  125   1HD1  LEU  16          HD11      LEU  16  -1.310  -3.370   4.711
  126   2HD1  LEU  16          HD12      LEU  16  -0.586  -4.581   3.653
  127   3HD1  LEU  16          HD13      LEU  16  -2.119  -3.827   3.212
  128   1HD2  LEU  16          HD21      LEU  16   0.583  -3.758   1.450
  129   2HD2  LEU  16          HD22      LEU  16   0.138  -2.141   0.903
  130   3HD2  LEU  16          HD23      LEU  16  -1.101  -3.385   1.080
  131    H    SER  17           HN       SER  17  -0.663   1.435   1.591
  132    HA   SER  17           HA       SER  17   1.735   0.912   0.120
  133   1HB   SER  17          HB2       SER  17  -0.556   2.264  -0.321
  134   2HB   SER  17          HB1       SER  17   0.485   3.627   0.082
  135    HG   SER  17           HG       SER  17   0.545   1.886  -2.086
  136    H    ASP  18           HN       ASP  18   0.973   3.364   2.612
  137    HA   ASP  18           HA       ASP  18   3.433   4.819   2.515
  138   1HB   ASP  18          HB2       ASP  18   1.463   5.605   3.714
  139   2HB   ASP  18          HB1       ASP  18   1.485   4.188   4.763
  140    H    PHE  19           HN       PHE  19   2.501   1.834   4.205
  141    HA   PHE  19           HA       PHE  19   5.057   1.575   5.615
  142   1HB   PHE  19          HB2       PHE  19   2.549   0.717   6.066
  143   2HB   PHE  19          HB1       PHE  19   3.167  -0.705   5.224
  144    HD1  PHE  19           HD1      PHE  19   3.781   1.579   8.101
  145    HD2  PHE  19           HD2      PHE  19   4.692  -2.203   6.280
  146    HE1  PHE  19           HE1      PHE  19   4.962   0.870  10.163
  147    HE2  PHE  19           HE2      PHE  19   5.873  -2.912   8.342
  148    HZ   PHE  19           HZ       PHE  19   6.007  -1.375  10.284
  149    H    LYS  20           HN       LYS  20   4.025   0.895   2.408
  150    HA   LYS  20           HA       LYS  20   6.107  -1.233   2.083
  151   1HB   LYS  20          HB2       LYS  20   3.512  -1.327   1.447
  152   2HB   LYS  20          HB1       LYS  20   4.094  -0.536  -0.019
  153   1HG   LYS  20          HG2       LYS  20   5.903  -2.415  -0.033
  154   2HG   LYS  20          HG1       LYS  20   4.808  -3.255   1.065
  155   1HD   LYS  20          HD2       LYS  20   3.602  -2.079  -1.393
  156   2HD   LYS  20          HD1       LYS  20   4.625  -3.499  -1.609
  157   1HE   LYS  20          HE2       LYS  20   2.821  -3.835   0.664
  158   2HE   LYS  20          HE1       LYS  20   1.934  -3.530  -0.842
  159   1HZ   LYS  20          HZ1       LYS  20   2.516  -5.900  -0.536
  160   2HZ   LYS  20          HZ2       LYS  20   4.163  -5.482  -0.569
  161   3HZ   LYS  20          HZ3       LYS  20   3.191  -5.236  -1.942
  162    H    THR  21           HN       THR  21   5.957   2.047   1.820
  163    HA   THR  21           HA       THR  21   7.386   2.202  -0.798
  164    HB   THR  21           HB       THR  21   5.902   4.105   1.008
  165    HG1  THR  21           HG1      THR  21   4.650   4.266  -0.723
  166   1HG2  THR  21          HG21      THR  21   7.906   5.358   0.555
  167   2HG2  THR  21          HG22      THR  21   6.670   5.948  -0.556
  168   3HG2  THR  21          HG23      THR  21   7.916   4.841  -1.133
  169    H    TRP  22           HN       TRP  22   7.771   3.046   2.669
  170    HA   TRP  22           HA       TRP  22  10.355   4.243   2.420
  171   1HB   TRP  22          HB2       TRP  22  10.380   4.076   4.819
  172   2HB   TRP  22          HB1       TRP  22   8.725   4.402   4.333
  173    HD1  TRP  22           HD1      TRP  22   6.917   2.642   4.912
  174    HE1  TRP  22           HE1      TRP  22   6.921   0.455   6.272
  175    HE3  TRP  22           HE3      TRP  22  11.949   1.902   5.389
  176    HZ2  TRP  22           HZ2      TRP  22   8.806  -1.365   7.416
  177    HZ3  TRP  22           HZ3      TRP  22  12.818  -0.062   6.622
  178    HH2  TRP  22           HH2      TRP  22  11.255  -1.695   7.634
  179    H    LEU  23           HN       LEU  23   9.374   0.860   2.539
  180    HA   LEU  23           HA       LEU  23  11.968  -0.223   3.252
  181   1HB   LEU  23          HB2       LEU  23   9.365  -1.187   2.143
  182   2HB   LEU  23          HB1       LEU  23  10.769  -2.244   1.971
  183    HG   LEU  23           HG       LEU  23  10.562  -1.043   4.633
  184   1HD1  LEU  23          HD11      LEU  23   8.682  -2.576   5.312
  185   2HD1  LEU  23          HD12      LEU  23   8.354  -2.831   3.597
  186   3HD1  LEU  23          HD13      LEU  23   8.188  -1.220   4.298
  187   1HD2  LEU  23          HD21      LEU  23  11.949  -3.058   3.650
  188   2HD2  LEU  23          HD22      LEU  23  10.487  -3.977   4.003
  189   3HD2  LEU  23          HD23      LEU  23  11.336  -3.137   5.301
  190    H    LYS  24           HN       LYS  24  10.338   0.487   0.161
  191    HA   LYS  24           HA       LYS  24  12.182  -0.690  -1.643
  192   1HB   LYS  24          HB2       LYS  24   9.883   0.444  -1.990
  193   2HB   LYS  24          HB1       LYS  24  10.783   1.960  -2.059
  194   1HG   LYS  24          HG2       LYS  24  12.098   0.025  -3.730
  195   2HG   LYS  24          HG1       LYS  24  10.386   0.074  -4.153
  196   1HD   LYS  24          HD2       LYS  24  10.514   2.541  -4.350
  197   2HD   LYS  24          HD1       LYS  24  12.236   2.473  -3.969
  198   1HE   LYS  24          HE2       LYS  24  12.680   1.161  -5.982
  199   2HE   LYS  24          HE1       LYS  24  10.944   1.071  -6.340
  200   1HZ   LYS  24          HZ1       LYS  24  12.186   2.912  -7.496
  201   2HZ   LYS  24          HZ2       LYS  24  12.382   3.643  -5.976
  202   3HZ   LYS  24          HZ3       LYS  24  10.824   3.400  -6.612
  203    H    ALA  25           HN       ALA  25  12.405   2.314   0.210
  204    HA   ALA  25           HA       ALA  25  14.853   3.155  -1.254
  205   1HB   ALA  25          HB1       ALA  25  13.229   4.400   0.991
  206   2HB   ALA  25          HB2       ALA  25  13.080   4.785  -0.724
  207   3HB   ALA  25          HB3       ALA  25  14.560   5.190   0.146
  208    H    LYS  26           HN       LYS  26  13.825   1.927   1.921
  209    HA   LYS  26           HA       LYS  26  16.412   2.312   3.205
  210   1HB   LYS  26          HB2       LYS  26  13.884   1.950   4.060
  211   2HB   LYS  26          HB1       LYS  26  14.447   0.281   4.163
  212   1HG   LYS  26          HG2       LYS  26  15.007   1.144   6.275
  213   2HG   LYS  26          HG1       LYS  26  16.518   1.304   5.377
  214   1HD   LYS  26          HD2       LYS  26  15.345   3.667   4.741
  215   2HD   LYS  26          HD1       LYS  26  14.659   3.408   6.344
  216   1HE   LYS  26          HE2       LYS  26  16.626   3.936   7.339
  217   2HE   LYS  26          HE1       LYS  26  17.508   2.784   6.317
  218   1HZ   LYS  26          HZ1       LYS  26  18.111   5.168   5.938
  219   2HZ   LYS  26          HZ2       LYS  26  16.538   5.423   5.353
  220   3HZ   LYS  26          HZ3       LYS  26  17.583   4.353   4.549
  221    H    LEU  27           HN       LEU  27  14.905  -0.290   1.338
  222    HA   LEU  27           HA       LEU  27  16.981  -2.252   2.094
  223   1HB   LEU  27          HB2       LEU  27  14.427  -2.156   0.566
  224   2HB   LEU  27          HB1       LEU  27  15.588  -3.380   0.061
  225    HG   LEU  27           HG       LEU  27  15.737  -4.177   2.413
  226   1HD1  LEU  27          HD11      LEU  27  13.648  -2.022   2.809
  227   2HD1  LEU  27          HD12      LEU  27  15.172  -2.227   3.674
  228   3HD1  LEU  27          HD13      LEU  27  13.848  -3.363   3.937
  229   1HD2  LEU  27          HD21      LEU  27  13.487  -5.212   2.473
  230   2HD2  LEU  27          HD22      LEU  27  14.156  -5.232   0.841
  231   3HD2  LEU  27          HD23      LEU  27  12.925  -4.046   1.276
  232    H    MET  28           HN       MET  28  15.910  -0.681  -0.960
  233    HA   MET  28           HA       MET  28  18.664  -1.171  -2.056
  234   1HB   MET  28          HB2       MET  28  16.124  -1.952  -2.950
  235   2HB   MET  28          HB1       MET  28  16.556  -0.596  -3.990
  236   1HG   MET  28          HG2       MET  28  17.580  -2.316  -5.151
  237   2HG   MET  28          HG1       MET  28  18.897  -1.860  -4.073
  238   1HE   MET  28          HE1       MET  28  19.708  -4.778  -2.101
  239   2HE   MET  28          HE2       MET  28  19.438  -3.066  -1.792
  240   3HE   MET  28          HE3       MET  28  20.251  -3.569  -3.271
  241    HA   PRO  29           HA       PRO  29  18.309   3.379  -1.820
  242   1HB   PRO  29          HB2       PRO  29  20.962   3.795  -1.247
  243   2HB   PRO  29          HB1       PRO  29  19.761   3.400  -0.008
  244   1HG   PRO  29          HG2       PRO  29  21.796   1.666  -1.289
  245   2HG   PRO  29          HG1       PRO  29  21.184   1.659   0.370
  246   1HD   PRO  29          HD2       PRO  29  20.420  -0.112  -1.602
  247   2HD   PRO  29          HD1       PRO  29  19.477   0.254  -0.141
  248    H    GLN  30           HN       GLN  30  21.014   4.472  -2.809
  249    HA   GLN  30           HA       GLN  30  20.437   4.376  -5.653
  250   1HB   GLN  30          HB2       GLN  30  21.960   5.898  -3.780
  251   2HB   GLN  30          HB1       GLN  30  23.079   5.347  -5.025
  252   1HG   GLN  30          HG2       GLN  30  20.751   6.142  -6.404
  253   2HG   GLN  30          HG1       GLN  30  21.037   7.393  -5.193
  254   1HE2  GLN  30          HE21      GLN  30  22.282   5.952  -8.146
  255   2HE2  GLN  30          HE22      GLN  30  23.579   7.027  -8.346
  256    H    LEU  31           HN       LEU  31  23.107   4.201  -6.703
  257    HA   LEU  31           HA       LEU  31  24.774   2.665  -7.367
  258   1HB   LEU  31          HB2       LEU  31  24.340   2.169  -4.676
  259   2HB   LEU  31          HB1       LEU  31  24.058   0.586  -5.400
  260    HG   LEU  31           HG       LEU  31  26.426   0.834  -4.805
  261   1HD1  LEU  31          HD11      LEU  31  26.205   1.087  -7.811
  262   2HD1  LEU  31          HD12      LEU  31  25.673  -0.354  -6.946
  263   3HD1  LEU  31          HD13      LEU  31  27.365   0.137  -6.882
  264   1HD2  LEU  31          HD21      LEU  31  27.803   2.584  -5.640
  265   2HD2  LEU  31          HD22      LEU  31  26.331   3.391  -5.100
  266   3HD2  LEU  31          HD23      LEU  31  26.590   3.086  -6.817
  Start of MODEL   39
    1   1H    SER   1           HT1      SER   1 -19.921  -7.898  10.106
    2   2H    SER   1           HT2      SER   1 -21.064  -9.153  10.049
    3   3H    SER   1           HT3      SER   1 -21.481  -7.648  10.723
    4    HA   SER   1           HA       SER   1 -20.770  -8.081   7.861
    5   1HB   SER   1          HB2       SER   1 -23.452  -7.620   9.205
    6   2HB   SER   1          HB1       SER   1 -23.176  -7.947   7.497
    7    HG   SER   1           HG       SER   1 -23.726  -9.868   8.478
    8    H    GLY   2           HN       GLY   2 -20.199  -6.150   6.931
    9   1HA   GLY   2          HA2       GLY   2 -21.060  -3.625   8.294
   10   2HA   GLY   2          HA1       GLY   2 -19.511  -3.796   7.470
   11    H    SER   3           HN       SER   3 -21.430  -1.776   6.819
   12    HA   SER   3           HA       SER   3 -22.475  -2.689   4.159
   13   1HB   SER   3          HB2       SER   3 -23.996  -0.757   4.415
   14   2HB   SER   3          HB1       SER   3 -24.096  -1.828   5.808
   15    HG   SER   3           HG       SER   3 -23.477  -0.207   6.981
   16    H    TRP   4           HN       TRP   4 -19.718  -1.358   5.229
   17    HA   TRP   4           HA       TRP   4 -19.483   0.461   2.861
   18   1HB   TRP   4          HB2       TRP   4 -17.832   1.668   4.639
   19   2HB   TRP   4          HB1       TRP   4 -19.527   2.097   4.464
   20    HD1  TRP   4           HD1      TRP   4 -21.168   1.482   6.405
   21    HE1  TRP   4           HE1      TRP   4 -20.826   0.583   8.797
   22    HE3  TRP   4           HE3      TRP   4 -16.265   0.067   6.129
   23    HZ2  TRP   4           HZ2      TRP   4 -18.752  -0.576  10.383
   24    HZ3  TRP   4           HZ3      TRP   4 -15.135  -0.931   8.095
   25    HH2  TRP   4           HH2      TRP   4 -16.370  -1.253  10.219
   26    H    LEU   5           HN       LEU   5 -18.649  -1.942   2.370
   27    HA   LEU   5           HA       LEU   5 -15.891  -2.459   3.275
   28   1HB   LEU   5          HB2       LEU   5 -18.063  -3.808   1.786
   29   2HB   LEU   5          HB1       LEU   5 -16.444  -4.203   1.215
   30    HG   LEU   5           HG       LEU   5 -17.206  -5.760   2.993
   31   1HD1  LEU   5          HD11      LEU   5 -15.012  -5.917   3.451
   32   2HD1  LEU   5          HD12      LEU   5 -15.176  -4.604   4.615
   33   3HD1  LEU   5          HD13      LEU   5 -14.765  -4.249   2.937
   34   1HD2  LEU   5          HD21      LEU   5 -17.488  -4.936   5.288
   35   2HD2  LEU   5          HD22      LEU   5 -18.631  -4.127   4.216
   36   3HD2  LEU   5          HD23      LEU   5 -17.176  -3.284   4.752
   37    H    ARG   6           HN       ARG   6 -17.538  -1.264   0.362
   38    HA   ARG   6           HA       ARG   6 -15.312  -1.297  -1.436
   39   1HB   ARG   6          HB2       ARG   6 -18.018  -0.465  -1.360
   40   2HB   ARG   6          HB1       ARG   6 -17.088   0.954  -1.841
   41   1HG   ARG   6          HG2       ARG   6 -15.900  -1.037  -3.329
   42   2HG   ARG   6          HG1       ARG   6 -17.589  -1.546  -3.314
   43   1HD   ARG   6          HD2       ARG   6 -17.424  -0.094  -5.200
   44   2HD   ARG   6          HD1       ARG   6 -18.123   0.929  -3.930
   45    HE   ARG   6           HE       ARG   6 -15.969   1.985  -3.635
   46   1HH1  ARG   6          HH11      ARG   6 -16.166   1.925  -6.660
   47   2HH1  ARG   6          HH12      ARG   6 -14.605   1.316  -7.097
   48   1HH2  ARG   6          HH21      ARG   6 -13.879   0.146  -3.905
   49   2HH2  ARG   6          HH22      ARG   6 -13.305   0.303  -5.530
   50    H    ASP   7           HN       ASP   7 -16.006   0.768   1.285
   51    HA   ASP   7           HA       ASP   7 -14.066   2.835   0.359
   52   1HB   ASP   7          HB2       ASP   7 -16.218   2.635   2.467
   53   2HB   ASP   7          HB1       ASP   7 -15.024   3.934   2.517
   54    H    ILE   8           HN       ILE   8 -14.577   0.408   2.923
   55    HA   ILE   8           HA       ILE   8 -12.369   1.203   4.581
   56    HB   ILE   8           HB       ILE   8 -14.411  -0.383   4.986
   57   1HG1  ILE   8          HG12      ILE   8 -12.938  -1.744   6.628
   58   2HG1  ILE   8          HG11      ILE   8 -11.598  -0.790   5.992
   59   1HG2  ILE   8          HG21      ILE   8 -12.406  -2.507   4.237
   60   2HG2  ILE   8          HG22      ILE   8 -13.566  -1.904   3.054
   61   3HG2  ILE   8          HG23      ILE   8 -14.136  -2.678   4.531
   62   1HD1  ILE   8          HD11      ILE   8 -12.829   0.107   8.092
   63   2HD1  ILE   8          HD12      ILE   8 -14.119   0.544   6.973
   64   3HD1  ILE   8          HD13      ILE   8 -12.511   1.240   6.780
   65    H    TRP   9           HN       TRP   9 -12.526  -0.613   1.579
   66    HA   TRP   9           HA       TRP   9  -9.965  -1.957   1.809
   67   1HB   TRP   9          HB2       TRP   9 -11.662  -1.091  -0.560
   68   2HB   TRP   9          HB1       TRP   9 -10.269  -2.162  -0.682
   69    HD1  TRP   9           HD1      TRP   9 -11.127  -3.599   2.226
   70    HE1  TRP   9           HE1      TRP   9 -12.960  -5.406   2.100
   71    HE3  TRP   9           HE3      TRP   9 -13.233  -2.412  -2.272
   72    HZ2  TRP   9           HZ2      TRP   9 -15.042  -6.242   0.326
   73    HZ3  TRP   9           HZ3      TRP   9 -15.137  -3.728  -3.156
   74    HH2  TRP   9           HH2      TRP   9 -16.043  -5.641  -1.863
   75    H    ASP  10           HN       ASP  10 -11.042   1.155   0.453
   76    HA   ASP  10           HA       ASP  10  -8.549   1.970  -0.702
   77   1HB   ASP  10          HB2       ASP  10 -10.678   3.001  -1.263
   78   2HB   ASP  10          HB1       ASP  10 -10.935   3.482   0.413
   79    H    TRP  11           HN       TRP  11 -10.020   2.795   2.478
   80    HA   TRP  11           HA       TRP  11  -7.861   4.357   3.473
   81   1HB   TRP  11          HB2       TRP  11  -9.318   4.513   5.207
   82   2HB   TRP  11          HB1       TRP  11 -10.372   3.439   4.304
   83    HD1  TRP  11           HD1      TRP  11 -10.900   1.190   5.360
   84    HE1  TRP  11           HE1      TRP  11 -10.046  -0.132   7.393
   85    HE3  TRP  11           HE3      TRP  11  -6.936   4.110   6.700
   86    HZ2  TRP  11           HZ2      TRP  11  -7.959   0.024   9.336
   87    HZ3  TRP  11           HZ3      TRP  11  -5.535   3.496   8.649
   88    HH2  TRP  11           HH2      TRP  11  -6.040   1.462   9.968
   89    H    ILE  12           HN       ILE  12  -8.337   0.830   3.445
   90    HA   ILE  12           HA       ILE  12  -6.086   0.195   5.156
   91    HB   ILE  12           HB       ILE  12  -7.836  -1.240   3.162
   92   1HG1  ILE  12          HG12      ILE  12  -8.734  -0.840   5.396
   93   2HG1  ILE  12          HG11      ILE  12  -8.391  -2.559   5.215
   94   1HG2  ILE  12          HG21      ILE  12  -5.289  -2.259   4.423
   95   2HG2  ILE  12          HG22      ILE  12  -5.812  -2.388   2.743
   96   3HG2  ILE  12          HG23      ILE  12  -6.598  -3.359   3.987
   97   1HD1  ILE  12          HD11      ILE  12  -6.792  -0.488   6.729
   98   2HD1  ILE  12          HD12      ILE  12  -6.103  -2.047   6.275
   99   3HD1  ILE  12          HD13      ILE  12  -7.503  -1.979   7.346
  100    H    CYS  13           HN       CYS  13  -6.497   0.526   1.627
  101    HA   CYS  13           HA       CYS  13  -3.805  -0.281   0.933
  102   1HB   CYS  13          HB2       CYS  13  -6.072   0.009  -0.427
  103   2HB   CYS  13          HB1       CYS  13  -5.442   1.635  -0.702
  104    HG   CYS  13           HG       CYS  13  -4.002  -0.980  -1.630
  105    H    GLU  14           HN       GLU  14  -5.319   2.798   1.814
  106    HA   GLU  14           HA       GLU  14  -3.221   4.579   1.012
  107   1HB   GLU  14          HB2       GLU  14  -5.377   5.446   1.542
  108   2HB   GLU  14          HB1       GLU  14  -5.423   4.600   3.088
  109   1HG   GLU  14          HG2       GLU  14  -3.161   6.482   2.775
  110   2HG   GLU  14          HG1       GLU  14  -4.754   7.237   2.807
  111    H    VAL  15           HN       VAL  15  -3.803   2.801   4.058
  112    HA   VAL  15           HA       VAL  15  -1.425   3.893   5.373
  113    HB   VAL  15           HB       VAL  15  -3.427   1.687   5.940
  114   1HG1  VAL  15          HG11      VAL  15  -2.336   1.755   8.282
  115   2HG1  VAL  15          HG12      VAL  15  -0.949   2.484   7.473
  116   3HG1  VAL  15          HG13      VAL  15  -1.483   0.865   7.021
  117   1HG2  VAL  15          HG21      VAL  15  -2.906   4.481   6.950
  118   2HG2  VAL  15          HG22      VAL  15  -3.826   3.327   7.915
  119   3HG2  VAL  15          HG23      VAL  15  -4.406   3.801   6.318
  120    H    LEU  16           HN       LEU  16  -2.235   1.014   3.480
  121    HA   LEU  16           HA       LEU  16   0.117  -0.535   4.113
  122   1HB   LEU  16          HB2       LEU  16  -2.155  -0.555   2.222
  123   2HB   LEU  16          HB1       LEU  16  -0.700  -1.345   1.614
  124    HG   LEU  16           HG       LEU  16  -1.787  -1.927   4.374
  125   1HD1  LEU  16          HD11      LEU  16  -2.424  -3.366   1.778
  126   2HD1  LEU  16          HD12      LEU  16  -3.562  -2.416   2.733
  127   3HD1  LEU  16          HD13      LEU  16  -2.890  -3.908   3.391
  128   1HD2  LEU  16          HD21      LEU  16  -0.390  -3.970   2.752
  129   2HD2  LEU  16          HD22      LEU  16  -0.170  -3.536   4.447
  130   3HD2  LEU  16          HD23      LEU  16   0.596  -2.572   3.185
  131    H    SER  17           HN       SER  17  -0.615   1.827   1.519
  132    HA   SER  17           HA       SER  17   1.742   1.427  -0.043
  133   1HB   SER  17          HB2       SER  17   1.197   3.697  -0.893
  134   2HB   SER  17          HB1       SER  17  -0.244   2.697  -0.760
  135    HG   SER  17           HG       SER  17   0.526   4.946   0.665
  136    H    ASP  18           HN       ASP  18   1.174   3.502   2.812
  137    HA   ASP  18           HA       ASP  18   3.714   4.852   2.780
  138   1HB   ASP  18          HB2       ASP  18   1.708   5.502   4.111
  139   2HB   ASP  18          HB1       ASP  18   1.918   4.058   5.103
  140    H    PHE  19           HN       PHE  19   2.632   1.756   4.156
  141    HA   PHE  19           HA       PHE  19   5.066   1.125   5.578
  142   1HB   PHE  19          HB2       PHE  19   2.676   0.164   5.773
  143   2HB   PHE  19          HB1       PHE  19   3.087  -0.824   4.372
  144    HD1  PHE  19           HD1      PHE  19   4.854  -2.537   4.503
  145    HD2  PHE  19           HD2      PHE  19   3.714  -0.223   7.941
  146    HE1  PHE  19           HE1      PHE  19   6.038  -4.142   5.978
  147    HE2  PHE  19           HE2      PHE  19   4.898  -1.829   9.413
  148    HZ   PHE  19           HZ       PHE  19   6.060  -3.788   8.432
  149    H    LYS  20           HN       LYS  20   4.126   0.901   2.200
  150    HA   LYS  20           HA       LYS  20   6.303  -0.984   1.531
  151   1HB   LYS  20          HB2       LYS  20   3.875  -0.660   0.516
  152   2HB   LYS  20          HB1       LYS  20   4.676   0.576  -0.455
  153   1HG   LYS  20          HG2       LYS  20   6.033  -0.962  -1.548
  154   2HG   LYS  20          HG1       LYS  20   5.954  -2.128  -0.226
  155   1HD   LYS  20          HD2       LYS  20   3.300  -1.862  -1.066
  156   2HD   LYS  20          HD1       LYS  20   4.232  -1.875  -2.564
  157   1HE   LYS  20          HE2       LYS  20   5.358  -3.961  -1.861
  158   2HE   LYS  20          HE1       LYS  20   4.430  -3.951  -0.348
  159   1HZ   LYS  20          HZ1       LYS  20   2.387  -4.007  -1.599
  160   2HZ   LYS  20          HZ2       LYS  20   3.366  -5.305  -2.095
  161   3HZ   LYS  20          HZ3       LYS  20   3.228  -3.921  -3.070
  162    H    THR  21           HN       THR  21   5.700   2.475   1.563
  163    HA   THR  21           HA       THR  21   7.645   3.369  -0.313
  164    HB   THR  21           HB       THR  21   6.501   4.542   2.240
  165    HG1  THR  21           HG1      THR  21   4.931   4.466   0.779
  166   1HG2  THR  21          HG21      THR  21   8.560   5.722   1.868
  167   2HG2  THR  21          HG22      THR  21   7.268   6.744   1.239
  168   3HG2  THR  21          HG23      THR  21   8.268   5.805   0.131
  169    H    TRP  22           HN       TRP  22   7.999   2.911   3.259
  170    HA   TRP  22           HA       TRP  22  10.810   3.559   3.238
  171   1HB   TRP  22          HB2       TRP  22  10.722   2.942   5.541
  172   2HB   TRP  22          HB1       TRP  22   9.170   3.670   5.169
  173    HD1  TRP  22           HD1      TRP  22   7.076   2.286   5.637
  174    HE1  TRP  22           HE1      TRP  22   6.626  -0.108   6.479
  175    HE3  TRP  22           HE3      TRP  22  11.793   0.337   5.377
  176    HZ2  TRP  22           HZ2      TRP  22   8.064  -2.520   6.981
  177    HZ3  TRP  22           HZ3      TRP  22  12.222  -2.007   6.049
  178    HH2  TRP  22           HH2      TRP  22  10.365  -3.439   6.849
  179    H    LEU  23           HN       LEU  23   9.048   0.600   2.582
  180    HA   LEU  23           HA       LEU  23  11.288  -1.213   2.984
  181   1HB   LEU  23          HB2       LEU  23   8.517  -1.245   1.934
  182   2HB   LEU  23          HB1       LEU  23   9.591  -2.467   1.248
  183    HG   LEU  23           HG       LEU  23   9.759  -2.099   4.184
  184   1HD1  LEU  23          HD11      LEU  23   7.229  -2.612   2.833
  185   2HD1  LEU  23          HD12      LEU  23   7.546  -2.289   4.536
  186   3HD1  LEU  23          HD13      LEU  23   7.685  -3.931   3.911
  187   1HD2  LEU  23          HD21      LEU  23  10.994  -3.806   2.744
  188   2HD2  LEU  23          HD22      LEU  23   9.439  -4.609   2.524
  189   3HD2  LEU  23          HD23      LEU  23  10.135  -4.460   4.138
  190    H    LYS  24           HN       LYS  24   9.936   0.559   0.204
  191    HA   LYS  24           HA       LYS  24  11.664  -0.605  -1.803
  192   1HB   LYS  24          HB2       LYS  24   9.429   0.762  -1.932
  193   2HB   LYS  24          HB1       LYS  24  10.490   2.172  -1.893
  194   1HG   LYS  24          HG2       LYS  24  11.755   1.192  -3.831
  195   2HG   LYS  24          HG1       LYS  24  10.536  -0.080  -3.922
  196   1HD   LYS  24          HD2       LYS  24   8.808   1.471  -4.460
  197   2HD   LYS  24          HD1       LYS  24   9.805   2.853  -4.004
  198   1HE   LYS  24          HE2       LYS  24  10.123   2.949  -6.296
  199   2HE   LYS  24          HE1       LYS  24  11.398   1.776  -5.916
  200   1HZ   LYS  24          HZ1       LYS  24   8.597   1.168  -6.709
  201   2HZ   LYS  24          HZ2       LYS  24   9.706   0.001  -6.161
  202   3HZ   LYS  24          HZ3       LYS  24   9.999   0.844  -7.607
  203    H    ALA  25           HN       ALA  25  11.894   2.255   0.307
  204    HA   ALA  25           HA       ALA  25  14.245   3.420  -0.864
  205   1HB   ALA  25          HB1       ALA  25  13.126   3.471   1.960
  206   2HB   ALA  25          HB2       ALA  25  12.699   4.581   0.658
  207   3HB   ALA  25          HB3       ALA  25  14.328   4.599   1.331
  208    H    LYS  26           HN       LYS  26  13.788   0.957   1.674
  209    HA   LYS  26           HA       LYS  26  16.648   0.784   2.296
  210   1HB   LYS  26          HB2       LYS  26  14.319   0.191   3.588
  211   2HB   LYS  26          HB1       LYS  26  14.782  -1.412   3.015
  212   1HG   LYS  26          HG2       LYS  26  16.823   0.348   4.353
  213   2HG   LYS  26          HG1       LYS  26  15.685  -0.580   5.330
  214   1HD   LYS  26          HD2       LYS  26  16.389  -2.628   3.990
  215   2HD   LYS  26          HD1       LYS  26  17.696  -1.642   3.332
  216   1HE   LYS  26          HE2       LYS  26  18.751  -1.415   5.435
  217   2HE   LYS  26          HE1       LYS  26  17.280  -1.862   6.320
  218   1HZ   LYS  26          HZ1       LYS  26  17.397  -4.069   5.322
  219   2HZ   LYS  26          HZ2       LYS  26  18.812  -3.734   6.201
  220   3HZ   LYS  26          HZ3       LYS  26  18.823  -3.647   4.505
  221    H    LEU  27           HN       LEU  27  14.285  -1.116   0.409
  222    HA   LEU  27           HA       LEU  27  16.058  -3.285  -0.273
  223   1HB   LEU  27          HB2       LEU  27  13.580  -3.325  -0.402
  224   2HB   LEU  27          HB1       LEU  27  13.634  -2.134  -1.701
  225    HG   LEU  27           HG       LEU  27  15.359  -4.471  -2.179
  226   1HD1  LEU  27          HD11      LEU  27  13.381  -5.471  -0.947
  227   2HD1  LEU  27          HD12      LEU  27  13.602  -6.063  -2.594
  228   3HD1  LEU  27          HD13      LEU  27  12.355  -4.865  -2.248
  229   1HD2  LEU  27          HD21      LEU  27  13.299  -2.843  -3.667
  230   2HD2  LEU  27          HD22      LEU  27  13.925  -4.344  -4.350
  231   3HD2  LEU  27          HD23      LEU  27  15.023  -3.010  -4.000
  232    H    MET  28           HN       MET  28  15.286  -0.180  -1.847
  233    HA   MET  28           HA       MET  28  16.339   0.975  -3.607
  234   1HB   MET  28          HB2       MET  28  18.191   0.220  -1.795
  235   2HB   MET  28          HB1       MET  28  18.815  -0.639  -3.204
  236   1HG   MET  28          HG2       MET  28  19.053   1.367  -4.455
  237   2HG   MET  28          HG1       MET  28  18.052   2.282  -3.327
  238   1HE   MET  28          HE1       MET  28  22.361   2.413  -3.521
  239   2HE   MET  28          HE2       MET  28  21.022   3.191  -4.362
  240   3HE   MET  28          HE3       MET  28  21.300   1.464  -4.572
  241    HA   PRO  29           HA       PRO  29  15.772  -2.691  -6.405
  242   1HB   PRO  29          HB2       PRO  29  13.723  -1.604  -7.861
  243   2HB   PRO  29          HB1       PRO  29  13.465  -2.518  -6.363
  244   1HG   PRO  29          HG2       PRO  29  13.475   0.423  -6.806
  245   2HG   PRO  29          HG1       PRO  29  12.444  -0.557  -5.752
  246   1HD   PRO  29          HD2       PRO  29  14.570   0.906  -4.859
  247   2HD   PRO  29          HD1       PRO  29  13.963  -0.553  -4.046
  248    H    GLN  30           HN       GLN  30  15.379  -2.264  -9.054
  249    HA   GLN  30           HA       GLN  30  17.770  -1.014  -9.987
  250   1HB   GLN  30          HB2       GLN  30  15.548  -2.511 -10.987
  251   2HB   GLN  30          HB1       GLN  30  15.749  -1.101 -12.025
  252   1HG   GLN  30          HG2       GLN  30  18.103  -2.813 -11.218
  253   2HG   GLN  30          HG1       GLN  30  17.114  -3.209 -12.624
  254   1HE2  GLN  30          HE21      GLN  30  17.572  -2.085 -14.553
  255   2HE2  GLN  30          HE22      GLN  30  18.607  -0.743 -14.650
  256    H    LEU  31           HN       LEU  31  18.193   1.147 -10.096
  257    HA   LEU  31           HA       LEU  31  15.894   3.058 -10.341
  258   1HB   LEU  31          HB2       LEU  31  18.276   2.850  -8.675
  259   2HB   LEU  31          HB1       LEU  31  18.209   4.408  -9.498
  260    HG   LEU  31           HG       LEU  31  17.047   4.541  -7.341
  261   1HD1  LEU  31          HD11      LEU  31  14.874   4.478  -9.426
  262   2HD1  LEU  31          HD12      LEU  31  16.175   5.664  -9.525
  263   3HD1  LEU  31          HD13      LEU  31  15.117   5.632  -8.115
  264   1HD2  LEU  31          HD21      LEU  31  15.224   2.387  -8.460
  265   2HD2  LEU  31          HD22      LEU  31  15.064   3.180  -6.893
  266   3HD2  LEU  31          HD23      LEU  31  16.440   2.124  -7.211
  Start of MODEL   40
    1   1H    SER   1           HT1      SER   1 -29.684  -0.785  -1.376
    2   2H    SER   1           HT2      SER   1 -28.676   0.583  -1.416
    3   3H    SER   1           HT3      SER   1 -28.308  -0.718  -0.388
    4    HA   SER   1           HA       SER   1 -27.866  -2.155  -2.276
    5   1HB   SER   1          HB2       SER   1 -28.638   0.349  -3.812
    6   2HB   SER   1          HB1       SER   1 -28.071  -1.152  -4.537
    7    HG   SER   1           HG       SER   1 -30.296  -1.188  -4.550
    8    H    GLY   2           HN       GLY   2 -25.655  -2.331  -2.366
    9   1HA   GLY   2          HA2       GLY   2 -23.387  -1.726  -2.440
   10   2HA   GLY   2          HA1       GLY   2 -23.900  -0.224  -3.213
   11    H    SER   3           HN       SER   3 -24.520  -1.586   0.043
   12    HA   SER   3           HA       SER   3 -23.360   0.929   1.204
   13   1HB   SER   3          HB2       SER   3 -25.869  -0.636   1.845
   14   2HB   SER   3          HB1       SER   3 -25.184   0.530   2.972
   15    HG   SER   3           HG       SER   3 -26.028   1.007   0.297
   16    H    TRP   4           HN       TRP   4 -21.561  -0.992   1.003
   17    HA   TRP   4           HA       TRP   4 -21.531  -2.393   3.652
   18   1HB   TRP   4          HB2       TRP   4 -20.502  -4.265   2.561
   19   2HB   TRP   4          HB1       TRP   4 -21.847  -3.785   1.531
   20    HD1  TRP   4           HD1      TRP   4 -21.187  -2.244  -0.653
   21    HE1  TRP   4           HE1      TRP   4 -19.069  -2.317  -2.122
   22    HE3  TRP   4           HE3      TRP   4 -18.005  -4.725   2.491
   23    HZ2  TRP   4           HZ2      TRP   4 -16.388  -3.296  -1.986
   24    HZ3  TRP   4           HZ3      TRP   4 -15.682  -5.213   1.791
   25    HH2  TRP   4           HH2      TRP   4 -14.870  -4.501  -0.439
   26    H    LEU   5           HN       LEU   5 -18.893  -3.244   3.604
   27    HA   LEU   5           HA       LEU   5 -17.441  -0.817   4.310
   28   1HB   LEU   5          HB2       LEU   5 -17.065  -3.777   4.344
   29   2HB   LEU   5          HB1       LEU   5 -15.612  -2.785   4.423
   30    HG   LEU   5           HG       LEU   5 -17.498  -1.602   6.184
   31   1HD1  LEU   5          HD11      LEU   5 -17.237  -4.605   6.523
   32   2HD1  LEU   5          HD12      LEU   5 -18.726  -3.712   6.213
   33   3HD1  LEU   5          HD13      LEU   5 -17.880  -3.509   7.747
   34   1HD2  LEU   5          HD21      LEU   5 -15.051  -3.318   6.724
   35   2HD2  LEU   5          HD22      LEU   5 -15.801  -2.216   7.880
   36   3HD2  LEU   5          HD23      LEU   5 -15.042  -1.580   6.420
   37    H    ARG   6           HN       ARG   6 -17.954  -0.208   1.768
   38    HA   ARG   6           HA       ARG   6 -16.116  -1.255  -0.210
   39   1HB   ARG   6          HB2       ARG   6 -18.345   0.181  -0.338
   40   2HB   ARG   6          HB1       ARG   6 -17.220   1.539  -0.284
   41   1HG   ARG   6          HG2       ARG   6 -15.991  -0.038  -2.130
   42   2HG   ARG   6          HG1       ARG   6 -17.679  -0.448  -2.434
   43   1HD   ARG   6          HD2       ARG   6 -17.980   2.206  -2.309
   44   2HD   ARG   6          HD1       ARG   6 -16.274   2.170  -2.800
   45    HE   ARG   6           HE       ARG   6 -17.001   0.664  -4.697
   46   1HH1  ARG   6          HH11      ARG   6 -19.795   0.148  -3.785
   47   2HH1  ARG   6          HH12      ARG   6 -20.713   1.262  -4.743
   48   1HH2  ARG   6          HH21      ARG   6 -17.955   3.188  -5.618
   49   2HH2  ARG   6          HH22      ARG   6 -19.668   2.989  -5.783
   50    H    ASP   7           HN       ASP   7 -15.961   1.410   2.133
   51    HA   ASP   7           HA       ASP   7 -13.494   2.563   1.117
   52   1HB   ASP   7          HB2       ASP   7 -15.096   3.834   2.458
   53   2HB   ASP   7          HB1       ASP   7 -14.925   2.695   3.794
   54    H    ILE   8           HN       ILE   8 -14.265  -0.189   3.129
   55    HA   ILE   8           HA       ILE   8 -12.034  -0.482   4.794
   56    HB   ILE   8           HB       ILE   8 -14.211  -1.913   4.199
   57   1HG1  ILE   8          HG12      ILE   8 -12.880  -2.247   6.212
   58   2HG1  ILE   8          HG11      ILE   8 -13.229  -3.806   5.470
   59   1HG2  ILE   8          HG21      ILE   8 -12.001  -3.467   2.814
   60   2HG2  ILE   8          HG22      ILE   8 -13.323  -2.642   1.988
   61   3HG2  ILE   8          HG23      ILE   8 -13.665  -4.002   3.057
   62   1HD1  ILE   8          HD11      ILE   8 -10.938  -3.963   5.973
   63   2HD1  ILE   8          HD12      ILE   8 -10.629  -2.289   5.513
   64   3HD1  ILE   8          HD13      ILE   8 -10.942  -3.502   4.271
   65    H    TRP   9           HN       TRP   9 -12.243  -1.092   1.289
   66    HA   TRP   9           HA       TRP   9  -9.552  -2.222   1.113
   67   1HB   TRP   9          HB2       TRP   9 -11.645  -1.230  -0.837
   68   2HB   TRP   9          HB1       TRP   9 -10.067  -1.785  -1.389
   69    HD1  TRP   9           HD1      TRP   9 -10.111  -4.070   1.117
   70    HE1  TRP   9           HE1      TRP   9 -11.385  -6.251   0.603
   71    HE3  TRP   9           HE3      TRP   9 -12.995  -2.509  -2.800
   72    HZ2  TRP   9           HZ2      TRP   9 -13.363  -7.209  -1.229
   73    HZ3  TRP   9           HZ3      TRP   9 -14.562  -4.074  -3.910
   74    HH2  TRP   9           HH2      TRP   9 -14.750  -6.420  -3.130
   75    H    ASP  10           HN       ASP  10 -11.081   0.930   0.424
   76    HA   ASP  10           HA       ASP  10  -8.749   2.260  -0.605
   77   1HB   ASP  10          HB2       ASP  10 -11.035   3.057  -0.941
   78   2HB   ASP  10          HB1       ASP  10 -11.258   3.243   0.799
   79    H    TRP  11           HN       TRP  11 -10.200   2.205   2.677
   80    HA   TRP  11           HA       TRP  11  -8.370   3.908   3.993
   81   1HB   TRP  11          HB2       TRP  11  -9.786   3.342   5.668
   82   2HB   TRP  11          HB1       TRP  11 -10.521   2.165   4.593
   83    HD1  TRP  11           HD1      TRP  11 -10.407  -0.246   5.350
   84    HE1  TRP  11           HE1      TRP  11  -9.054  -1.578   7.089
   85    HE3  TRP  11           HE3      TRP  11  -7.181   3.384   6.920
   86    HZ2  TRP  11           HZ2      TRP  11  -6.889  -1.160   8.908
   87    HZ3  TRP  11           HZ3      TRP  11  -5.486   2.889   8.657
   88    HH2  TRP  11           HH2      TRP  11  -5.336   0.625   9.653
   89    H    ILE  12           HN       ILE  12  -8.060   0.448   3.189
   90    HA   ILE  12           HA       ILE  12  -5.531   0.109   4.611
   91    HB   ILE  12           HB       ILE  12  -7.228  -1.448   2.667
   92   1HG1  ILE  12          HG12      ILE  12  -7.820  -1.538   5.027
   93   2HG1  ILE  12          HG11      ILE  12  -7.144  -3.096   4.553
   94   1HG2  ILE  12          HG21      ILE  12  -5.469  -3.311   2.974
   95   2HG2  ILE  12          HG22      ILE  12  -4.359  -2.018   3.424
   96   3HG2  ILE  12          HG23      ILE  12  -5.091  -2.033   1.819
   97   1HD1  ILE  12          HD11      ILE  12  -4.878  -2.135   5.362
   98   2HD1  ILE  12          HD12      ILE  12  -6.052  -2.601   6.593
   99   3HD1  ILE  12          HD13      ILE  12  -5.845  -0.902   6.170
  100    H    CYS  13           HN       CYS  13  -6.502   0.914   1.291
  101    HA   CYS  13           HA       CYS  13  -4.004   0.582  -0.025
  102   1HB   CYS  13          HB2       CYS  13  -6.496   1.242  -0.759
  103   2HB   CYS  13          HB1       CYS  13  -5.808   2.865  -0.721
  104    HG   CYS  13           HG       CYS  13  -5.433   1.102  -2.997
  105    H    GLU  14           HN       GLU  14  -5.334   3.461   1.661
  106    HA   GLU  14           HA       GLU  14  -3.172   5.249   1.123
  107   1HB   GLU  14          HB2       GLU  14  -5.396   5.863   2.040
  108   2HB   GLU  14          HB1       GLU  14  -5.001   5.028   3.542
  109   1HG   GLU  14          HG2       GLU  14  -4.092   6.953   4.285
  110   2HG   GLU  14          HG1       GLU  14  -2.829   6.754   3.071
  111    H    VAL  15           HN       VAL  15  -3.720   3.029   3.882
  112    HA   VAL  15           HA       VAL  15  -1.237   3.639   5.237
  113    HB   VAL  15           HB       VAL  15  -3.097   1.233   5.307
  114   1HG1  VAL  15          HG11      VAL  15  -0.680   1.999   6.896
  115   2HG1  VAL  15          HG12      VAL  15  -1.252   0.399   6.424
  116   3HG1  VAL  15          HG13      VAL  15  -2.030   1.257   7.753
  117   1HG2  VAL  15          HG21      VAL  15  -4.500   2.744   6.245
  118   2HG2  VAL  15          HG22      VAL  15  -3.231   3.963   6.364
  119   3HG2  VAL  15          HG23      VAL  15  -3.404   2.742   7.626
  120    H    LEU  16           HN       LEU  16  -2.156   1.338   2.704
  121    HA   LEU  16           HA       LEU  16   0.164  -0.354   2.821
  122   1HB   LEU  16          HB2       LEU  16  -2.206   0.013   1.256
  123   2HB   LEU  16          HB1       LEU  16  -0.843  -0.068   0.144
  124    HG   LEU  16           HG       LEU  16  -1.750  -2.315   0.572
  125   1HD1  LEU  16          HD11      LEU  16   0.855  -1.652   0.504
  126   2HD1  LEU  16          HD12      LEU  16   0.311  -3.318   0.704
  127   3HD1  LEU  16          HD13      LEU  16   0.799  -2.375   2.112
  128   1HD2  LEU  16          HD21      LEU  16  -0.807  -2.225   3.411
  129   2HD2  LEU  16          HD22      LEU  16  -2.079  -3.205   2.682
  130   3HD2  LEU  16          HD23      LEU  16  -2.372  -1.503   3.038
  131    H    SER  17           HN       SER  17  -0.499   2.700   1.098
  132    HA   SER  17           HA       SER  17   1.854   2.769  -0.531
  133   1HB   SER  17          HB2       SER  17  -0.190   4.656   0.529
  134   2HB   SER  17          HB1       SER  17   1.316   5.385  -0.022
  135    HG   SER  17           HG       SER  17  -0.513   4.941  -1.591
  136    H    ASP  18           HN       ASP  18   1.248   3.950   2.791
  137    HA   ASP  18           HA       ASP  18   3.808   5.150   3.254
  138   1HB   ASP  18          HB2       ASP  18   1.856   5.494   4.688
  139   2HB   ASP  18          HB1       ASP  18   1.803   3.775   5.081
  140    H    PHE  19           HN       PHE  19   2.616   1.815   3.671
  141    HA   PHE  19           HA       PHE  19   5.021   0.741   4.850
  142   1HB   PHE  19          HB2       PHE  19   2.560  -0.147   4.677
  143   2HB   PHE  19          HB1       PHE  19   3.090  -0.807   3.129
  144    HD1  PHE  19           HD1      PHE  19   3.786  -0.797   6.787
  145    HD2  PHE  19           HD2      PHE  19   4.499  -2.727   3.017
  146    HE1  PHE  19           HE1      PHE  19   4.870  -2.692   7.963
  147    HE2  PHE  19           HE2      PHE  19   5.582  -4.623   4.191
  148    HZ   PHE  19           HZ       PHE  19   5.768  -4.605   6.664
  149    H    LYS  20           HN       LYS  20   3.921   1.177   1.486
  150    HA   LYS  20           HA       LYS  20   5.963  -0.392   0.207
  151   1HB   LYS  20          HB2       LYS  20   3.813   0.530  -0.772
  152   2HB   LYS  20          HB1       LYS  20   4.581   2.118  -0.802
  153   1HG   LYS  20          HG2       LYS  20   5.788   1.610  -2.645
  154   2HG   LYS  20          HG1       LYS  20   6.278   0.050  -1.986
  155   1HD   LYS  20          HD2       LYS  20   4.896  -0.902  -3.495
  156   2HD   LYS  20          HD1       LYS  20   3.557  -0.269  -2.538
  157   1HE   LYS  20          HE2       LYS  20   3.072   0.667  -4.627
  158   2HE   LYS  20          HE1       LYS  20   4.069   1.956  -3.924
  159   1HZ   LYS  20          HZ1       LYS  20   6.023   0.987  -4.935
  160   2HZ   LYS  20          HZ2       LYS  20   4.860   1.285  -6.138
  161   3HZ   LYS  20          HZ3       LYS  20   5.109  -0.296  -5.568
  162    H    THR  21           HN       THR  21   5.800   3.067   1.120
  163    HA   THR  21           HA       THR  21   8.305   3.907   0.039
  164    HB   THR  21           HB       THR  21   6.897   4.814   2.580
  165    HG1  THR  21           HG1      THR  21   5.437   5.599   1.313
  166   1HG2  THR  21          HG21      THR  21   8.875   6.128   0.705
  167   2HG2  THR  21          HG22      THR  21   9.055   5.840   2.436
  168   3HG2  THR  21          HG23      THR  21   7.899   7.039   1.857
  169    H    TRP  22           HN       TRP  22   7.474   2.495   3.214
  170    HA   TRP  22           HA       TRP  22  10.118   2.605   4.351
  171   1HB   TRP  22          HB2       TRP  22   8.248   2.321   5.798
  172   2HB   TRP  22          HB1       TRP  22   7.587   1.012   4.821
  173    HD1  TRP  22           HD1      TRP  22  10.332   1.761   7.377
  174    HE1  TRP  22           HE1      TRP  22  11.184  -0.468   8.355
  175    HE3  TRP  22           HE3      TRP  22   7.826  -1.528   4.383
  176    HZ2  TRP  22           HZ2      TRP  22  10.845  -3.278   7.919
  177    HZ3  TRP  22           HZ3      TRP  22   8.107  -3.970   4.686
  178    HH2  TRP  22           HH2      TRP  22   9.610  -4.849   6.444
  179    H    LEU  23           HN       LEU  23   8.345   0.062   2.560
  180    HA   LEU  23           HA       LEU  23  10.402  -1.946   2.679
  181   1HB   LEU  23          HB2       LEU  23   7.800  -1.524   1.539
  182   2HB   LEU  23          HB1       LEU  23   8.860  -2.171   0.287
  183    HG   LEU  23           HG       LEU  23   8.939  -3.409   3.012
  184   1HD1  LEU  23          HD11      LEU  23   6.904  -4.173   0.906
  185   2HD1  LEU  23          HD12      LEU  23   6.517  -3.181   2.312
  186   3HD1  LEU  23          HD13      LEU  23   7.070  -4.842   2.530
  187   1HD2  LEU  23          HD21      LEU  23  10.489  -3.992   1.077
  188   2HD2  LEU  23          HD22      LEU  23   9.075  -4.649   0.255
  189   3HD2  LEU  23          HD23      LEU  23   9.614  -5.351   1.781
  190    H    LYS  24           HN       LYS  24   9.809   0.764   0.466
  191    HA   LYS  24           HA       LYS  24  11.666  -0.024  -1.596
  192   1HB   LYS  24          HB2       LYS  24   9.788   1.687  -1.685
  193   2HB   LYS  24          HB1       LYS  24  10.825   2.768  -0.754
  194   1HG   LYS  24          HG2       LYS  24  12.595   2.387  -2.574
  195   2HG   LYS  24          HG1       LYS  24  11.297   1.673  -3.532
  196   1HD   LYS  24          HD2       LYS  24  10.044   3.713  -3.525
  197   2HD   LYS  24          HD1       LYS  24  11.089   4.428  -2.298
  198   1HE   LYS  24          HE2       LYS  24  12.561   3.522  -4.686
  199   2HE   LYS  24          HE1       LYS  24  11.391   4.815  -5.015
  200   1HZ   LYS  24          HZ1       LYS  24  12.280   6.051  -3.130
  201   2HZ   LYS  24          HZ2       LYS  24  13.503   5.736  -4.267
  202   3HZ   LYS  24          HZ3       LYS  24  13.416   4.826  -2.834
  203    H    ALA  25           HN       ALA  25  12.032   1.723   1.469
  204    HA   ALA  25           HA       ALA  25  14.689   2.754   0.998
  205   1HB   ALA  25          HB1       ALA  25  12.957   3.430   2.748
  206   2HB   ALA  25          HB2       ALA  25  14.601   3.241   3.356
  207   3HB   ALA  25          HB3       ALA  25  13.408   1.973   3.634
  208    H    LYS  26           HN       LYS  26  13.467  -0.214   2.575
  209    HA   LYS  26           HA       LYS  26  16.186  -1.249   3.045
  210   1HB   LYS  26          HB2       LYS  26  14.193  -1.577   4.555
  211   2HB   LYS  26          HB1       LYS  26  13.461  -2.572   3.297
  212   1HG   LYS  26          HG2       LYS  26  16.239  -3.303   4.025
  213   2HG   LYS  26          HG1       LYS  26  15.036  -3.570   5.286
  214   1HD   LYS  26          HD2       LYS  26  14.029  -5.261   4.144
  215   2HD   LYS  26          HD1       LYS  26  14.193  -4.439   2.592
  216   1HE   LYS  26          HE2       LYS  26  16.631  -5.044   2.579
  217   2HE   LYS  26          HE1       LYS  26  16.361  -5.988   4.057
  218   1HZ   LYS  26          HZ1       LYS  26  14.649  -7.247   2.910
  219   2HZ   LYS  26          HZ2       LYS  26  16.122  -7.366   2.066
  220   3HZ   LYS  26          HZ3       LYS  26  14.891  -6.343   1.494
  221    H    LEU  27           HN       LEU  27  13.680  -1.490   0.610
  222    HA   LEU  27           HA       LEU  27  13.639  -2.538  -1.485
  223   1HB   LEU  27          HB2       LEU  27  16.335  -1.955  -0.862
  224   2HB   LEU  27          HB1       LEU  27  16.335  -3.602  -1.491
  225    HG   LEU  27           HG       LEU  27  14.609  -2.339  -3.221
  226   1HD1  LEU  27          HD11      LEU  27  16.901  -0.420  -3.018
  227   2HD1  LEU  27          HD12      LEU  27  15.520  -0.199  -1.945
  228   3HD1  LEU  27          HD13      LEU  27  15.291  -0.172  -3.693
  229   1HD2  LEU  27          HD21      LEU  27  16.588  -3.876  -3.662
  230   2HD2  LEU  27          HD22      LEU  27  17.613  -2.443  -3.592
  231   3HD2  LEU  27          HD23      LEU  27  16.372  -2.578  -4.836
  232    H    MET  28           HN       MET  28  12.266  -4.265  -1.086
  233    HA   MET  28           HA       MET  28  12.709  -6.528   0.534
  234   1HB   MET  28          HB2       MET  28  10.704  -5.575  -1.016
  235   2HB   MET  28          HB1       MET  28  11.254  -6.903  -2.037
  236   1HG   MET  28          HG2       MET  28  10.946  -8.497  -0.244
  237   2HG   MET  28          HG1       MET  28  10.597  -7.205   0.905
  238   1HE   MET  28          HE1       MET  28   7.936  -9.017  -2.320
  239   2HE   MET  28          HE2       MET  28   9.192  -9.806  -1.369
  240   3HE   MET  28          HE3       MET  28   9.636  -8.594  -2.568
  241    HA   PRO  29           HA       PRO  29  14.607  -8.818  -3.220
  242   1HB   PRO  29          HB2       PRO  29  15.324  -7.366  -5.427
  243   2HB   PRO  29          HB1       PRO  29  13.714  -8.083  -5.226
  244   1HG   PRO  29          HG2       PRO  29  14.590  -5.272  -4.863
  245   2HG   PRO  29          HG1       PRO  29  13.062  -5.910  -5.489
  246   1HD   PRO  29          HD2       PRO  29  13.417  -4.915  -2.950
  247   2HD   PRO  29          HD1       PRO  29  12.135  -6.050  -3.419
  248    H    GLN  30           HN       GLN  30  15.978  -7.892  -1.136
  249    HA   GLN  30           HA       GLN  30  18.718  -7.537  -2.106
  250   1HB   GLN  30          HB2       GLN  30  17.401  -5.259  -2.063
  251   2HB   GLN  30          HB1       GLN  30  17.624  -5.371  -0.318
  252   1HG   GLN  30          HG2       GLN  30  19.945  -5.191  -0.465
  253   2HG   GLN  30          HG1       GLN  30  19.985  -5.777  -2.129
  254   1HE2  GLN  30          HE21      GLN  30  18.699  -2.967  -0.244
  255   2HE2  GLN  30          HE22      GLN  30  18.977  -1.834  -1.476
  256    H    LEU  31           HN       LEU  31  20.160  -8.271  -0.526
  257    HA   LEU  31           HA       LEU  31  20.949  -9.102   1.534
  258   1HB   LEU  31          HB2       LEU  31  19.149  -7.028   2.137
  259   2HB   LEU  31          HB1       LEU  31  18.649  -8.364   3.171
  260    HG   LEU  31           HG       LEU  31  20.332  -7.006   4.320
  261   1HD1  LEU  31          HD11      LEU  31  21.835  -9.464   3.468
  262   2HD1  LEU  31          HD12      LEU  31  20.310  -9.635   4.335
  263   3HD1  LEU  31          HD13      LEU  31  21.655  -8.772   5.080
  264   1HD2  LEU  31          HD21      LEU  31  22.348  -7.776   2.216
  265   2HD2  LEU  31          HD22      LEU  31  22.441  -6.489   3.418
  266   3HD2  LEU  31          HD23      LEU  31  21.373  -6.319   2.025
  Start of MODEL   41
    1   1H    SER   1           HT1      SER   1 -14.227   5.385   6.902
    2   2H    SER   1           HT2      SER   1 -15.542   5.561   7.964
    3   3H    SER   1           HT3      SER   1 -14.027   6.213   8.368
    4    HA   SER   1           HA       SER   1 -15.330   8.044   7.656
    5   1HB   SER   1          HB2       SER   1 -13.504   6.990   5.470
    6   2HB   SER   1          HB1       SER   1 -14.007   8.670   5.639
    7    HG   SER   1           HG       SER   1 -12.438   8.863   7.014
    8    H    GLY   2           HN       GLY   2 -15.343   5.480   5.144
    9   1HA   GLY   2          HA2       GLY   2 -17.598   6.718   3.742
   10   2HA   GLY   2          HA1       GLY   2 -16.828   5.188   3.324
   11    H    SER   3           HN       SER   3 -17.643   3.251   4.235
   12    HA   SER   3           HA       SER   3 -19.677   3.329   6.353
   13   1HB   SER   3          HB2       SER   3 -20.802   4.097   4.218
   14   2HB   SER   3          HB1       SER   3 -20.470   2.503   3.544
   15    HG   SER   3           HG       SER   3 -22.178   3.257   5.651
   16    H    TRP   4           HN       TRP   4 -18.652   1.242   3.583
   17    HA   TRP   4           HA       TRP   4 -18.082  -0.933   5.555
   18   1HB   TRP   4          HB2       TRP   4 -20.388  -0.726   4.026
   19   2HB   TRP   4          HB1       TRP   4 -19.383  -1.808   3.068
   20    HD1  TRP   4           HD1      TRP   4 -22.038  -2.561   4.869
   21    HE1  TRP   4           HE1      TRP   4 -21.811  -4.507   6.540
   22    HE3  TRP   4           HE3      TRP   4 -16.951  -2.731   5.361
   23    HZ2  TRP   4           HZ2      TRP   4 -19.755  -5.946   7.906
   24    HZ3  TRP   4           HZ3      TRP   4 -15.891  -4.397   6.852
   25    HH2  TRP   4           HH2      TRP   4 -17.284  -6.005   8.124
   26    H    LEU   5           HN       LEU   5 -17.772  -2.801   3.205
   27    HA   LEU   5           HA       LEU   5 -15.019  -2.712   2.757
   28   1HB   LEU   5          HB2       LEU   5 -15.597  -4.119   0.734
   29   2HB   LEU   5          HB1       LEU   5 -16.371  -4.637   2.229
   30    HG   LEU   5           HG       LEU   5 -18.099  -2.714   1.053
   31   1HD1  LEU   5          HD11      LEU   5 -18.534  -3.668  -1.150
   32   2HD1  LEU   5          HD12      LEU   5 -17.255  -4.859  -0.916
   33   3HD1  LEU   5          HD13      LEU   5 -16.851  -3.148  -1.063
   34   1HD2  LEU   5          HD21      LEU   5 -18.632  -4.750   2.455
   35   2HD2  LEU   5          HD22      LEU   5 -18.344  -5.736   1.021
   36   3HD2  LEU   5          HD23      LEU   5 -19.658  -4.561   1.034
   37    H    ARG   6           HN       ARG   6 -17.475  -0.756   1.165
   38    HA   ARG   6           HA       ARG   6 -16.147  -0.029  -1.230
   39   1HB   ARG   6          HB2       ARG   6 -18.044   1.374   0.659
   40   2HB   ARG   6          HB1       ARG   6 -17.515   2.133  -0.842
   41   1HG   ARG   6          HG2       ARG   6 -18.580   0.545  -2.181
   42   2HG   ARG   6          HG1       ARG   6 -18.585  -0.674  -0.907
   43   1HD   ARG   6          HD2       ARG   6 -20.656  -0.025  -0.267
   44   2HD   ARG   6          HD1       ARG   6 -20.080   1.636  -0.019
   45    HE   ARG   6           HE       ARG   6 -20.966   0.574  -2.682
   46   1HH1  ARG   6          HH11      ARG   6 -19.322   3.051  -2.787
   47   2HH1  ARG   6          HH12      ARG   6 -20.517   4.303  -2.714
   48   1HH2  ARG   6          HH21      ARG   6 -23.025   2.197  -1.547
   49   2HH2  ARG   6          HH22      ARG   6 -22.624   3.816  -2.011
   50    H    ASP   7           HN       ASP   7 -15.859   1.419   2.043
   51    HA   ASP   7           HA       ASP   7 -13.574   3.071   1.041
   52   1HB   ASP   7          HB2       ASP   7 -14.163   4.611   2.698
   53   2HB   ASP   7          HB1       ASP   7 -15.732   3.930   2.279
   54    H    ILE   8           HN       ILE   8 -14.334   0.361   3.125
   55    HA   ILE   8           HA       ILE   8 -12.087   0.524   4.908
   56    HB   ILE   8           HB       ILE   8 -14.329  -1.049   4.574
   57   1HG1  ILE   8          HG12      ILE   8 -12.776  -2.491   6.371
   58   2HG1  ILE   8          HG11      ILE   8 -12.041  -0.888   6.395
   59   1HG2  ILE   8          HG21      ILE   8 -13.598  -3.359   4.302
   60   2HG2  ILE   8          HG22      ILE   8 -11.927  -2.837   4.093
   61   3HG2  ILE   8          HG23      ILE   8 -13.136  -2.433   2.874
   62   1HD1  ILE   8          HD11      ILE   8 -13.970   0.138   7.183
   63   2HD1  ILE   8          HD12      ILE   8 -14.100  -1.438   7.965
   64   3HD1  ILE   8          HD13      ILE   8 -15.028  -1.098   6.505
   65    H    TRP   9           HN       TRP   9 -12.424  -0.756   1.611
   66    HA   TRP   9           HA       TRP   9  -9.808  -2.054   1.587
   67   1HB   TRP   9          HB2       TRP   9 -11.915  -1.284  -0.431
   68   2HB   TRP   9          HB1       TRP   9 -10.351  -1.887  -0.975
   69    HD1  TRP   9           HD1      TRP   9 -10.026  -3.953   1.548
   70    HE1  TRP   9           HE1      TRP   9 -11.367  -6.154   1.469
   71    HE3  TRP   9           HE3      TRP   9 -13.638  -2.665  -1.828
   72    HZ2  TRP   9           HZ2      TRP   9 -13.665  -7.227   0.147
   73    HZ3  TRP   9           HZ3      TRP   9 -15.386  -4.296  -2.479
   74    HH2  TRP   9           HH2      TRP   9 -15.404  -6.572  -1.497
   75    H    ASP  10           HN       ASP  10 -11.079   1.150   0.774
   76    HA   ASP  10           HA       ASP  10  -8.732   2.137  -0.595
   77   1HB   ASP  10          HB2       ASP  10 -10.909   3.190  -0.839
   78   2HB   ASP  10          HB1       ASP  10 -11.017   3.466   0.901
   79    H    TRP  11           HN       TRP  11  -9.890   2.449   2.793
   80    HA   TRP  11           HA       TRP  11  -7.714   3.992   3.789
   81   1HB   TRP  11          HB2       TRP  11  -8.962   3.784   5.680
   82   2HB   TRP  11          HB1       TRP  11 -10.069   2.812   4.726
   83    HD1  TRP  11           HD1      TRP  11 -10.471   0.458   5.561
   84    HE1  TRP  11           HE1      TRP  11  -9.313  -1.149   7.202
   85    HE3  TRP  11           HE3      TRP  11  -6.303   3.188   6.670
   86    HZ2  TRP  11           HZ2      TRP  11  -6.933  -1.264   8.782
   87    HZ3  TRP  11           HZ3      TRP  11  -4.607   2.303   8.245
   88    HH2  TRP  11           HH2      TRP  11  -4.918   0.084   9.302
   89    H    ILE  12           HN       ILE  12  -8.050   0.486   3.296
   90    HA   ILE  12           HA       ILE  12  -5.586  -0.275   4.607
   91    HB   ILE  12           HB       ILE  12  -7.513  -1.474   2.616
   92   1HG1  ILE  12          HG12      ILE  12  -8.110  -1.424   5.008
   93   2HG1  ILE  12          HG11      ILE  12  -7.855  -3.082   4.465
   94   1HG2  ILE  12          HG21      ILE  12  -5.456  -2.398   1.831
   95   2HG2  ILE  12          HG22      ILE  12  -6.153  -3.623   2.890
   96   3HG2  ILE  12          HG23      ILE  12  -4.837  -2.600   3.470
   97   1HD1  ILE  12          HD11      ILE  12  -5.441  -2.821   5.292
   98   2HD1  ILE  12          HD12      ILE  12  -6.687  -2.913   6.536
   99   3HD1  ILE  12          HD13      ILE  12  -5.990  -1.353   6.101
  100    H    CYS  13           HN       CYS  13  -6.429   0.630   1.263
  101    HA   CYS  13           HA       CYS  13  -3.893   0.005   0.067
  102   1HB   CYS  13          HB2       CYS  13  -6.228   0.556  -0.942
  103   2HB   CYS  13          HB1       CYS  13  -5.737   2.242  -0.783
  104    HG   CYS  13           HG       CYS  13  -3.819   1.840  -2.458
  105    H    GLU  14           HN       GLU  14  -5.103   2.865   1.783
  106    HA   GLU  14           HA       GLU  14  -2.918   4.635   1.096
  107   1HB   GLU  14          HB2       GLU  14  -5.268   5.169   1.957
  108   2HB   GLU  14          HB1       GLU  14  -4.695   4.683   3.553
  109   1HG   GLU  14          HG2       GLU  14  -4.219   6.935   3.674
  110   2HG   GLU  14          HG1       GLU  14  -2.716   6.380   2.936
  111    H    VAL  15           HN       VAL  15  -3.626   2.691   4.033
  112    HA   VAL  15           HA       VAL  15  -1.164   3.358   5.383
  113    HB   VAL  15           HB       VAL  15  -3.323   2.540   6.391
  114   1HG1  VAL  15          HG11      VAL  15  -2.380  -0.112   5.258
  115   2HG1  VAL  15          HG12      VAL  15  -3.848   0.755   4.812
  116   3HG1  VAL  15          HG13      VAL  15  -3.684   0.075   6.429
  117   1HG2  VAL  15          HG21      VAL  15  -2.242   1.156   8.107
  118   2HG2  VAL  15          HG22      VAL  15  -1.185   2.490   7.646
  119   3HG2  VAL  15          HG23      VAL  15  -0.875   0.867   7.033
  120    H    LEU  16           HN       LEU  16  -2.005   0.823   3.047
  121    HA   LEU  16           HA       LEU  16   0.403  -0.766   3.551
  122   1HB   LEU  16          HB2       LEU  16  -2.053  -1.124   2.316
  123   2HB   LEU  16          HB1       LEU  16  -0.950  -1.036   0.947
  124    HG   LEU  16           HG       LEU  16  -1.158  -3.357   1.655
  125   1HD1  LEU  16          HD11      LEU  16   1.508  -2.409   2.713
  126   2HD1  LEU  16          HD12      LEU  16   1.118  -2.359   0.994
  127   3HD1  LEU  16          HD13      LEU  16   1.142  -3.902   1.847
  128   1HD2  LEU  16          HD21      LEU  16  -0.063  -2.538   4.356
  129   2HD2  LEU  16          HD22      LEU  16  -0.719  -4.104   3.882
  130   3HD2  LEU  16          HD23      LEU  16  -1.791  -2.713   4.049
  131    H    SER  17           HN       SER  17  -0.579   1.705   1.161
  132    HA   SER  17           HA       SER  17   1.737   1.478  -0.532
  133   1HB   SER  17          HB2       SER  17  -0.424   3.475   0.024
  134   2HB   SER  17          HB1       SER  17   0.969   4.008  -0.914
  135    HG   SER  17           HG       SER  17  -1.076   2.736  -1.830
  136    H    ASP  18           HN       ASP  18   1.039   3.604   2.271
  137    HA   ASP  18           HA       ASP  18   3.492   5.081   2.223
  138   1HB   ASP  18          HB2       ASP  18   1.242   4.522   4.048
  139   2HB   ASP  18          HB1       ASP  18   2.755   4.880   4.885
  140    H    PHE  19           HN       PHE  19   2.616   1.950   3.653
  141    HA   PHE  19           HA       PHE  19   5.138   1.538   5.044
  142   1HB   PHE  19          HB2       PHE  19   2.625   0.448   5.074
  143   2HB   PHE  19          HB1       PHE  19   3.508  -0.784   4.174
  144    HD1  PHE  19           HD1      PHE  19   2.665   0.378   7.405
  145    HD2  PHE  19           HD2      PHE  19   5.872  -1.435   5.197
  146    HE1  PHE  19           HE1      PHE  19   3.651  -0.456   9.522
  147    HE2  PHE  19           HE2      PHE  19   6.858  -2.270   7.314
  148    HZ   PHE  19           HZ       PHE  19   5.748  -1.780   9.476
  149    H    LYS  20           HN       LYS  20   3.820   0.605   1.860
  150    HA   LYS  20           HA       LYS  20   5.898  -1.166   1.025
  151   1HB   LYS  20          HB2       LYS  20   3.566  -0.503   0.023
  152   2HB   LYS  20          HB1       LYS  20   4.476   0.753  -0.815
  153   1HG   LYS  20          HG2       LYS  20   4.831  -0.853  -2.384
  154   2HG   LYS  20          HG1       LYS  20   6.055  -1.443  -1.259
  155   1HD   LYS  20          HD2       LYS  20   3.871  -2.626  -0.195
  156   2HD   LYS  20          HD1       LYS  20   3.366  -2.547  -1.883
  157   1HE   LYS  20          HE2       LYS  20   5.672  -3.552  -2.454
  158   2HE   LYS  20          HE1       LYS  20   5.793  -3.939  -0.726
  159   1HZ   LYS  20          HZ1       LYS  20   3.599  -4.735  -2.571
  160   2HZ   LYS  20          HZ2       LYS  20   3.581  -4.991  -0.890
  161   3HZ   LYS  20          HZ3       LYS  20   4.741  -5.766  -1.860
  162    H    THR  21           HN       THR  21   5.552   2.375   0.589
  163    HA   THR  21           HA       THR  21   7.991   2.807  -0.853
  164    HB   THR  21           HB       THR  21   6.357   4.553   1.027
  165    HG1  THR  21           HG1      THR  21   5.081   4.625  -0.616
  166   1HG2  THR  21          HG21      THR  21   7.501   6.303  -0.673
  167   2HG2  THR  21          HG22      THR  21   8.784   5.094  -0.610
  168   3HG2  THR  21          HG23      THR  21   8.230   5.870   0.874
  169    H    TRP  22           HN       TRP  22   7.259   2.830   2.645
  170    HA   TRP  22           HA       TRP  22   9.814   3.660   3.609
  171   1HB   TRP  22          HB2       TRP  22   7.717   3.536   4.921
  172   2HB   TRP  22          HB1       TRP  22   7.739   1.778   4.792
  173    HD1  TRP  22           HD1      TRP  22   9.248   4.655   6.703
  174    HE1  TRP  22           HE1      TRP  22  10.777   3.741   8.567
  175    HE3  TRP  22           HE3      TRP  22   9.386  -0.270   5.388
  176    HZ2  TRP  22           HZ2      TRP  22  11.911   1.241   9.389
  177    HZ3  TRP  22           HZ3      TRP  22  10.692  -1.898   6.721
  178    HH2  TRP  22           HH2      TRP  22  11.953  -1.151   8.717
  179    H    LEU  23           HN       LEU  23   8.536   0.406   2.841
  180    HA   LEU  23           HA       LEU  23  10.787  -1.123   3.733
  181   1HB   LEU  23          HB2       LEU  23   8.347  -1.443   2.159
  182   2HB   LEU  23          HB1       LEU  23   9.660  -2.420   1.508
  183    HG   LEU  23           HG       LEU  23   8.496  -3.760   3.140
  184   1HD1  LEU  23          HD11      LEU  23  10.940  -2.725   4.589
  185   2HD1  LEU  23          HD12      LEU  23  11.057  -3.715   3.134
  186   3HD1  LEU  23          HD13      LEU  23  10.290  -4.364   4.583
  187   1HD2  LEU  23          HD21      LEU  23   8.131  -1.254   4.443
  188   2HD2  LEU  23          HD22      LEU  23   8.990  -2.308   5.566
  189   3HD2  LEU  23          HD23      LEU  23   7.444  -2.815   4.888
  190    H    LYS  24           HN       LYS  24  10.001   0.192   0.491
  191    HA   LYS  24           HA       LYS  24  12.382  -0.737  -0.828
  192   1HB   LYS  24          HB2       LYS  24  10.195   0.104  -1.821
  193   2HB   LYS  24          HB1       LYS  24  10.727   1.737  -1.422
  194   1HG   LYS  24          HG2       LYS  24  12.879   0.407  -2.762
  195   2HG   LYS  24          HG1       LYS  24  11.413   0.177  -3.715
  196   1HD   LYS  24          HD2       LYS  24  12.127   2.893  -2.617
  197   2HD   LYS  24          HD1       LYS  24  12.819   2.323  -4.135
  198   1HE   LYS  24          HE2       LYS  24   9.868   2.003  -3.843
  199   2HE   LYS  24          HE1       LYS  24  10.471   3.658  -4.050
  200   1HZ   LYS  24          HZ1       LYS  24  11.592   3.072  -6.017
  201   2HZ   LYS  24          HZ2       LYS  24  10.063   2.349  -6.163
  202   3HZ   LYS  24          HZ3       LYS  24  11.411   1.408  -5.739
  203    H    ALA  25           HN       ALA  25  11.561   2.416   0.661
  204    HA   ALA  25           HA       ALA  25  14.059   3.723   0.157
  205   1HB   ALA  25          HB1       ALA  25  12.064   4.064   2.422
  206   2HB   ALA  25          HB2       ALA  25  11.918   4.797   0.824
  207   3HB   ALA  25          HB3       ALA  25  13.238   5.269   1.894
  208    H    LYS  26           HN       LYS  26  13.021   1.513   2.725
  209    HA   LYS  26           HA       LYS  26  15.266   1.986   4.498
  210   1HB   LYS  26          HB2       LYS  26  12.943   0.950   4.944
  211   2HB   LYS  26          HB1       LYS  26  13.607  -0.535   4.262
  212   1HG   LYS  26          HG2       LYS  26  13.961  -0.715   6.610
  213   2HG   LYS  26          HG1       LYS  26  15.529  -0.262   5.940
  214   1HD   LYS  26          HD2       LYS  26  15.097   2.098   6.491
  215   2HD   LYS  26          HD1       LYS  26  13.516   1.663   7.141
  216   1HE   LYS  26          HE2       LYS  26  14.428   0.598   9.016
  217   2HE   LYS  26          HE1       LYS  26  15.982   0.300   8.210
  218   1HZ   LYS  26          HZ1       LYS  26  16.431   2.653   8.201
  219   2HZ   LYS  26          HZ2       LYS  26  16.091   2.168   9.793
  220   3HZ   LYS  26          HZ3       LYS  26  14.917   2.993   8.887
  221    H    LEU  27           HN       LEU  27  14.647  -0.272   1.821
  222    HA   LEU  27           HA       LEU  27  17.022  -1.890   2.256
  223   1HB   LEU  27          HB2       LEU  27  14.747  -1.681   0.432
  224   2HB   LEU  27          HB1       LEU  27  16.231  -2.091  -0.425
  225    HG   LEU  27           HG       LEU  27  16.562  -3.805   1.544
  226   1HD1  LEU  27          HD11      LEU  27  14.563  -2.880   2.783
  227   2HD1  LEU  27          HD12      LEU  27  14.505  -4.621   2.508
  228   3HD1  LEU  27          HD13      LEU  27  13.543  -3.538   1.503
  229   1HD2  LEU  27          HD21      LEU  27  15.405  -5.502   0.215
  230   2HD2  LEU  27          HD22      LEU  27  16.188  -4.349  -0.865
  231   3HD2  LEU  27          HD23      LEU  27  14.449  -4.257  -0.589
  232    H    MET  28           HN       MET  28  16.236   0.349  -0.442
  233    HA   MET  28           HA       MET  28  17.616   1.727  -1.760
  234   1HB   MET  28          HB2       MET  28  18.067   2.226   0.913
  235   2HB   MET  28          HB1       MET  28  19.701   1.927   0.318
  236   1HG   MET  28          HG2       MET  28  19.327   4.266   0.017
  237   2HG   MET  28          HG1       MET  28  19.153   3.548  -1.584
  238   1HE   MET  28          HE1       MET  28  17.991   6.457  -0.732
  239   2HE   MET  28          HE2       MET  28  16.549   6.361  -1.740
  240   3HE   MET  28          HE3       MET  28  18.070   5.689  -2.324
  241    HA   PRO  29           HA       PRO  29  20.400  -1.769  -2.832
  242   1HB   PRO  29          HB2       PRO  29  19.875  -1.676  -5.519
  243   2HB   PRO  29          HB1       PRO  29  18.861  -2.566  -4.365
  244   1HG   PRO  29          HG2       PRO  29  18.418   0.096  -5.613
  245   2HG   PRO  29          HG1       PRO  29  17.254  -1.187  -5.243
  246   1HD   PRO  29          HD2       PRO  29  17.576   1.060  -3.719
  247   2HD   PRO  29          HD1       PRO  29  16.973  -0.487  -3.087
  248    H    GLN  30           HN       GLN  30  21.990  -1.644  -5.001
  249    HA   GLN  30           HA       GLN  30  23.828   0.492  -4.501
  250   1HB   GLN  30          HB2       GLN  30  23.929  -1.896  -5.727
  251   2HB   GLN  30          HB1       GLN  30  23.747  -0.880  -7.157
  252   1HG   GLN  30          HG2       GLN  30  25.648   0.553  -6.121
  253   2HG   GLN  30          HG1       GLN  30  25.957  -0.856  -5.106
  254   1HE2  GLN  30          HE21      GLN  30  25.844   0.225  -8.516
  255   2HE2  GLN  30          HE22      GLN  30  26.808  -1.038  -9.113
  256    H    LEU  31           HN       LEU  31  23.586   2.616  -5.062
  257    HA   LEU  31           HA       LEU  31  22.354   3.304  -7.690
  258   1HB   LEU  31          HB2       LEU  31  20.671   3.257  -5.764
  259   2HB   LEU  31          HB1       LEU  31  21.557   4.618  -5.077
  260    HG   LEU  31           HG       LEU  31  20.999   5.052  -7.899
  261   1HD1  LEU  31          HD11      LEU  31  19.036   3.576  -7.247
  262   2HD1  LEU  31          HD12      LEU  31  18.601   5.186  -7.822
  263   3HD1  LEU  31          HD13      LEU  31  18.576   4.830  -6.095
  264   1HD2  LEU  31          HD21      LEU  31  20.132   7.172  -7.025
  265   2HD2  LEU  31          HD22      LEU  31  21.647   6.772  -6.216
  266   3HD2  LEU  31          HD23      LEU  31  20.111   6.512  -5.389
  Start of MODEL   42
    1   1H    SER   1           HT1      SER   1 -25.817  -3.965   4.795
    2   2H    SER   1           HT2      SER   1 -26.892  -3.680   3.512
    3   3H    SER   1           HT3      SER   1 -27.402  -4.560   4.873
    4    HA   SER   1           HA       SER   1 -28.284  -2.301   4.948
    5   1HB   SER   1          HB2       SER   1 -26.095  -2.944   6.953
    6   2HB   SER   1          HB1       SER   1 -27.471  -1.882   7.242
    7    HG   SER   1           HG       SER   1 -28.085  -3.842   8.003
    8    H    GLY   2           HN       GLY   2 -24.734  -2.166   5.557
    9   1HA   GLY   2          HA2       GLY   2 -24.729   0.624   4.537
   10   2HA   GLY   2          HA1       GLY   2 -23.421  -0.143   5.438
   11    H    SER   3           HN       SER   3 -21.821   0.351   3.864
   12    HA   SER   3           HA       SER   3 -22.189  -0.850   1.149
   13   1HB   SER   3          HB2       SER   3 -20.090   0.608   0.746
   14   2HB   SER   3          HB1       SER   3 -21.605   1.451   1.048
   15    HG   SER   3           HG       SER   3 -19.306   1.456   2.479
   16    H    TRP   4           HN       TRP   4 -19.529  -0.433   3.523
   17    HA   TRP   4           HA       TRP   4 -17.834  -1.897   4.232
   18   1HB   TRP   4          HB2       TRP   4 -20.178  -3.493   3.625
   19   2HB   TRP   4          HB1       TRP   4 -18.711  -4.402   3.267
   20    HD1  TRP   4           HD1      TRP   4 -20.890  -3.379   6.067
   21    HE1  TRP   4           HE1      TRP   4 -19.798  -3.960   8.329
   22    HE3  TRP   4           HE3      TRP   4 -16.145  -4.460   4.508
   23    HZ2  TRP   4           HZ2      TRP   4 -17.251  -4.775   9.342
   24    HZ3  TRP   4           HZ3      TRP   4 -14.411  -5.135   6.141
   25    HH2  TRP   4           HH2      TRP   4 -14.955  -5.294   8.553
   26    H    LEU   5           HN       LEU   5 -15.960  -2.911   3.385
   27    HA   LEU   5           HA       LEU   5 -14.348  -3.508   1.789
   28   1HB   LEU   5          HB2       LEU   5 -16.787  -3.800   0.003
   29   2HB   LEU   5          HB1       LEU   5 -15.186  -4.451  -0.331
   30    HG   LEU   5           HG       LEU   5 -16.672  -5.145   2.206
   31   1HD1  LEU   5          HD11      LEU   5 -17.557  -7.109   1.129
   32   2HD1  LEU   5          HD12      LEU   5 -16.679  -6.756  -0.359
   33   3HD1  LEU   5          HD13      LEU   5 -18.019  -5.724   0.140
   34   1HD2  LEU   5          HD21      LEU   5 -14.243  -5.603   2.106
   35   2HD2  LEU   5          HD22      LEU   5 -14.478  -6.520   0.618
   36   3HD2  LEU   5          HD23      LEU   5 -15.168  -7.105   2.132
   37    H    ARG   6           HN       ARG   6 -16.818  -1.591  -0.021
   38    HA   ARG   6           HA       ARG   6 -14.937  -0.191  -1.655
   39   1HB   ARG   6          HB2       ARG   6 -17.777   0.104  -0.778
   40   2HB   ARG   6          HB1       ARG   6 -17.021   1.510  -1.528
   41   1HG   ARG   6          HG2       ARG   6 -16.656   0.402  -3.556
   42   2HG   ARG   6          HG1       ARG   6 -16.750  -1.195  -2.812
   43   1HD   ARG   6          HD2       ARG   6 -19.206  -0.707  -2.330
   44   2HD   ARG   6          HD1       ARG   6 -19.039   0.709  -3.387
   45    HE   ARG   6           HE       ARG   6 -18.863  -2.119  -4.247
   46   1HH1  ARG   6          HH11      ARG   6 -20.553  -0.044  -5.616
   47   2HH1  ARG   6          HH12      ARG   6 -19.611   0.319  -7.023
   48   1HH2  ARG   6          HH21      ARG   6 -16.702  -1.111  -5.766
   49   2HH2  ARG   6          HH22      ARG   6 -17.423  -0.289  -7.109
   50    H    ASP   7           HN       ASP   7 -15.857   0.288   1.688
   51    HA   ASP   7           HA       ASP   7 -14.440   2.925   1.744
   52   1HB   ASP   7          HB2       ASP   7 -15.629   3.138   3.954
   53   2HB   ASP   7          HB1       ASP   7 -16.724   2.959   2.585
   54    H    ILE   8           HN       ILE   8 -14.047  -0.392   2.535
   55    HA   ILE   8           HA       ILE   8 -12.074   0.168   4.691
   56    HB   ILE   8           HB       ILE   8 -14.055  -1.697   4.398
   57   1HG1  ILE   8          HG12      ILE   8 -11.992  -2.945   5.929
   58   2HG1  ILE   8          HG11      ILE   8 -11.845  -1.203   6.148
   59   1HG2  ILE   8          HG21      ILE   8 -13.102  -3.855   3.874
   60   2HG2  ILE   8          HG22      ILE   8 -11.497  -3.153   3.681
   61   3HG2  ILE   8          HG23      ILE   8 -12.769  -2.774   2.520
   62   1HD1  ILE   8          HD11      ILE   8 -13.510  -2.636   7.649
   63   2HD1  ILE   8          HD12      ILE   8 -14.581  -2.402   6.267
   64   3HD1  ILE   8          HD13      ILE   8 -13.930  -1.005   7.126
   65    H    TRP   9           HN       TRP   9 -12.275  -0.821   1.318
   66    HA   TRP   9           HA       TRP   9  -9.585  -1.926   1.169
   67   1HB   TRP   9          HB2       TRP   9 -10.125  -2.278  -1.085
   68   2HB   TRP   9          HB1       TRP   9 -11.700  -2.307  -0.306
   69    HD1  TRP   9           HD1      TRP   9 -12.478   0.638  -0.065
   70    HE1  TRP   9           HE1      TRP   9 -12.819   2.139  -2.129
   71    HE3  TRP   9           HE3      TRP   9  -9.803  -1.997  -3.516
   72    HZ2  TRP   9           HZ2      TRP   9 -12.059   2.210  -4.888
   73    HZ3  TRP   9           HZ3      TRP   9  -9.627  -1.195  -5.854
   74    HH2  TRP   9           HH2      TRP   9 -10.753   0.904  -6.544
   75    H    ASP  10           HN       ASP  10 -10.891   1.306   1.068
   76    HA   ASP  10           HA       ASP  10  -8.570   2.467  -0.324
   77   1HB   ASP  10          HB2       ASP  10 -11.192   3.173   0.027
   78   2HB   ASP  10          HB1       ASP  10 -10.417   4.163   1.264
   79    H    TRP  11           HN       TRP  11  -9.883   2.352   2.999
   80    HA   TRP  11           HA       TRP  11  -7.858   3.920   4.260
   81   1HB   TRP  11          HB2       TRP  11  -9.193   3.468   6.047
   82   2HB   TRP  11          HB1       TRP  11 -10.207   2.569   4.930
   83    HD1  TRP  11           HD1      TRP  11 -10.494   0.089   5.387
   84    HE1  TRP  11           HE1      TRP  11  -9.401  -1.631   6.956
   85    HE3  TRP  11           HE3      TRP  11  -6.681   2.914   7.265
   86    HZ2  TRP  11           HZ2      TRP  11  -7.201  -1.792   8.773
   87    HZ3  TRP  11           HZ3      TRP  11  -5.102   1.951   8.915
   88    HH2  TRP  11           HH2      TRP  11  -5.357  -0.395   9.671
   89    H    ILE  12           HN       ILE  12  -7.947   0.498   3.308
   90    HA   ILE  12           HA       ILE  12  -5.500  -0.231   4.731
   91    HB   ILE  12           HB       ILE  12  -7.324  -1.437   2.653
   92   1HG1  ILE  12          HG12      ILE  12  -7.934  -1.524   5.051
   93   2HG1  ILE  12          HG11      ILE  12  -7.627  -3.135   4.409
   94   1HG2  ILE  12          HG21      ILE  12  -4.589  -2.432   3.475
   95   2HG2  ILE  12          HG22      ILE  12  -5.230  -2.224   1.845
   96   3HG2  ILE  12          HG23      ILE  12  -5.838  -3.523   2.872
   97   1HD1  ILE  12          HD11      ILE  12  -5.780  -1.453   6.121
   98   2HD1  ILE  12          HD12      ILE  12  -5.246  -2.905   5.276
   99   3HD1  ILE  12          HD13      ILE  12  -6.490  -3.017   6.520
  100    H    CYS  13           HN       CYS  13  -6.323   0.580   1.344
  101    HA   CYS  13           HA       CYS  13  -3.737   0.205   0.208
  102   1HB   CYS  13          HB2       CYS  13  -6.057   0.593  -0.860
  103   2HB   CYS  13          HB1       CYS  13  -5.740   2.313  -0.622
  104    HG   CYS  13           HG       CYS  13  -3.991   0.461  -2.441
  105    H    GLU  14           HN       GLU  14  -5.186   3.054   1.809
  106    HA   GLU  14           HA       GLU  14  -3.138   4.954   1.202
  107   1HB   GLU  14          HB2       GLU  14  -5.407   5.406   2.151
  108   2HB   GLU  14          HB1       GLU  14  -4.887   4.687   3.674
  109   1HG   GLU  14          HG2       GLU  14  -4.464   6.925   4.116
  110   2HG   GLU  14          HG1       GLU  14  -2.906   6.443   3.445
  111    H    VAL  15           HN       VAL  15  -3.574   3.007   4.190
  112    HA   VAL  15           HA       VAL  15  -1.035   3.716   5.350
  113    HB   VAL  15           HB       VAL  15  -2.897   1.342   5.734
  114   1HG1  VAL  15          HG11      VAL  15  -1.735   1.501   8.098
  115   2HG1  VAL  15          HG12      VAL  15  -0.428   2.250   7.181
  116   3HG1  VAL  15          HG13      VAL  15  -0.952   0.613   6.791
  117   1HG2  VAL  15          HG21      VAL  15  -3.389   4.004   6.211
  118   2HG2  VAL  15          HG22      VAL  15  -2.725   3.485   7.761
  119   3HG2  VAL  15          HG23      VAL  15  -4.145   2.679   7.096
  120    H    LEU  16           HN       LEU  16  -2.051   1.131   3.141
  121    HA   LEU  16           HA       LEU  16   0.295  -0.517   3.322
  122   1HB   LEU  16          HB2       LEU  16  -1.960  -1.067   2.315
  123   2HB   LEU  16          HB1       LEU  16  -1.528  -0.052   0.939
  124    HG   LEU  16           HG       LEU  16   0.597  -1.944   1.585
  125   1HD1  LEU  16          HD11      LEU  16  -1.197  -3.393   2.347
  126   2HD1  LEU  16          HD12      LEU  16  -0.667  -3.951   0.759
  127   3HD1  LEU  16          HD13      LEU  16  -2.158  -3.022   0.915
  128   1HD2  LEU  16          HD21      LEU  16   0.275  -0.623  -0.538
  129   2HD2  LEU  16          HD22      LEU  16  -1.123  -1.635  -0.897
  130   3HD2  LEU  16          HD23      LEU  16   0.486  -2.353  -0.805
  131    H    SER  17           HN       SER  17  -0.528   2.247   1.189
  132    HA   SER  17           HA       SER  17   1.823   2.134  -0.457
  133   1HB   SER  17          HB2       SER  17  -0.301   3.441  -0.849
  134   2HB   SER  17          HB1       SER  17   0.209   4.557   0.414
  135    HG   SER  17           HG       SER  17   1.769   5.306  -0.857
  136    H    ASP  18           HN       ASP  18   1.133   3.856   2.605
  137    HA   ASP  18           HA       ASP  18   3.603   5.271   2.851
  138   1HB   ASP  18          HB2       ASP  18   1.450   4.224   4.663
  139   2HB   ASP  18          HB1       ASP  18   2.938   4.812   5.406
  140    H    PHE  19           HN       PHE  19   2.655   1.978   3.845
  141    HA   PHE  19           HA       PHE  19   5.208   1.276   5.036
  142   1HB   PHE  19          HB2       PHE  19   2.727   0.278   5.151
  143   2HB   PHE  19          HB1       PHE  19   3.329  -0.733   3.838
  144    HD1  PHE  19           HD1      PHE  19   4.739   0.601   7.063
  145    HD2  PHE  19           HD2      PHE  19   4.080  -2.815   4.543
  146    HE1  PHE  19           HE1      PHE  19   5.912  -0.838   8.706
  147    HE2  PHE  19           HE2      PHE  19   5.254  -4.253   6.186
  148    HZ   PHE  19           HZ       PHE  19   6.171  -3.264   8.268
  149    H    LYS  20           HN       LYS  20   3.741   0.890   1.811
  150    HA   LYS  20           HA       LYS  20   5.723  -0.775   0.609
  151   1HB   LYS  20          HB2       LYS  20   3.420   0.796  -0.109
  152   2HB   LYS  20          HB1       LYS  20   4.701   1.112  -1.278
  153   1HG   LYS  20          HG2       LYS  20   4.401  -1.731  -0.546
  154   2HG   LYS  20          HG1       LYS  20   3.008  -1.044  -1.380
  155   1HD   LYS  20          HD2       LYS  20   5.730  -0.441  -2.462
  156   2HD   LYS  20          HD1       LYS  20   5.063  -2.049  -2.742
  157   1HE   LYS  20          HE2       LYS  20   3.382  -1.262  -4.122
  158   2HE   LYS  20          HE1       LYS  20   3.269   0.291  -3.271
  159   1HZ   LYS  20          HZ1       LYS  20   5.686  -0.498  -4.795
  160   2HZ   LYS  20          HZ2       LYS  20   5.247   1.049  -4.245
  161   3HZ   LYS  20          HZ3       LYS  20   4.399   0.327  -5.528
  162    H    THR  21           HN       THR  21   5.502   2.794   0.847
  163    HA   THR  21           HA       THR  21   7.867   3.417  -0.652
  164    HB   THR  21           HB       THR  21   6.552   4.858   1.686
  165    HG1  THR  21           HG1      THR  21   6.065   4.833  -1.102
  166   1HG2  THR  21          HG21      THR  21   7.482   6.890   0.509
  167   2HG2  THR  21          HG22      THR  21   8.410   5.795  -0.516
  168   3HG2  THR  21          HG23      THR  21   8.706   5.839   1.223
  169    H    TRP  22           HN       TRP  22   7.354   2.909   2.859
  170    HA   TRP  22           HA       TRP  22  10.080   3.332   3.665
  171   1HB   TRP  22          HB2       TRP  22   8.411   3.417   5.340
  172   2HB   TRP  22          HB1       TRP  22   7.644   1.933   4.777
  173    HD1  TRP  22           HD1      TRP  22  10.678   3.179   6.755
  174    HE1  TRP  22           HE1      TRP  22  11.624   1.217   8.137
  175    HE3  TRP  22           HE3      TRP  22   7.800  -0.636   4.958
  176    HZ2  TRP  22           HZ2      TRP  22  11.211  -1.599   8.439
  177    HZ3  TRP  22           HZ3      TRP  22   8.095  -2.943   5.807
  178    HH2  TRP  22           HH2      TRP  22   9.794  -3.431   7.541
  179    H    LEU  23           HN       LEU  23   8.263   0.372   2.786
  180    HA   LEU  23           HA       LEU  23  10.300  -1.547   3.296
  181   1HB   LEU  23          HB2       LEU  23   7.737  -1.341   1.957
  182   2HB   LEU  23          HB1       LEU  23   8.829  -2.361   1.021
  183    HG   LEU  23           HG       LEU  23   8.896  -2.844   3.933
  184   1HD1  LEU  23          HD11      LEU  23   6.529  -2.488   3.809
  185   2HD1  LEU  23          HD12      LEU  23   6.773  -4.234   3.766
  186   3HD1  LEU  23          HD13      LEU  23   6.415  -3.356   2.279
  187   1HD2  LEU  23          HD21      LEU  23   8.976  -5.159   3.184
  188   2HD2  LEU  23          HD22      LEU  23  10.072  -4.202   2.188
  189   3HD2  LEU  23          HD23      LEU  23   8.498  -4.684   1.554
  190    H    LYS  24           HN       LYS  24   9.670   0.439   0.396
  191    HA   LYS  24           HA       LYS  24  11.657  -0.768  -1.306
  192   1HB   LYS  24          HB2       LYS  24   9.669   0.813  -1.814
  193   2HB   LYS  24          HB1       LYS  24  10.756   2.122  -1.350
  194   1HG   LYS  24          HG2       LYS  24  11.930   0.178  -3.237
  195   2HG   LYS  24          HG1       LYS  24  10.568   1.092  -3.886
  196   1HD   LYS  24          HD2       LYS  24  12.080   3.000  -2.510
  197   2HD   LYS  24          HD1       LYS  24  13.282   1.988  -3.313
  198   1HE   LYS  24          HE2       LYS  24  12.284   2.371  -5.477
  199   2HE   LYS  24          HE1       LYS  24  10.870   3.155  -4.746
  200   1HZ   LYS  24          HZ1       LYS  24  12.387   4.811  -3.768
  201   2HZ   LYS  24          HZ2       LYS  24  12.422   4.835  -5.467
  202   3HZ   LYS  24          HZ3       LYS  24  13.686   4.104  -4.598
  203    H    ALA  25           HN       ALA  25  11.774   2.039   0.908
  204    HA   ALA  25           HA       ALA  25  14.457   2.862   0.320
  205   1HB   ALA  25          HB1       ALA  25  12.509   3.155   2.595
  206   2HB   ALA  25          HB2       ALA  25  13.119   4.389   1.495
  207   3HB   ALA  25          HB3       ALA  25  14.154   3.762   2.777
  208    H    LYS  26           HN       LYS  26  13.144   0.457   2.596
  209    HA   LYS  26           HA       LYS  26  15.681  -0.069   3.924
  210   1HB   LYS  26          HB2       LYS  26  13.066  -0.528   4.461
  211   2HB   LYS  26          HB1       LYS  26  13.517  -2.114   3.832
  212   1HG   LYS  26          HG2       LYS  26  15.616  -1.742   5.443
  213   2HG   LYS  26          HG1       LYS  26  14.466  -0.708   6.291
  214   1HD   LYS  26          HD2       LYS  26  12.924  -2.518   6.594
  215   2HD   LYS  26          HD1       LYS  26  13.825  -3.554   5.486
  216   1HE   LYS  26          HE2       LYS  26  15.724  -3.630   7.032
  217   2HE   LYS  26          HE1       LYS  26  14.902  -2.504   8.129
  218   1HZ   LYS  26          HZ1       LYS  26  13.927  -5.192   7.303
  219   2HZ   LYS  26          HZ2       LYS  26  13.039  -4.089   8.246
  220   3HZ   LYS  26          HZ3       LYS  26  14.483  -4.755   8.844
  221    H    LEU  27           HN       LEU  27  13.917  -1.543   1.199
  222    HA   LEU  27           HA       LEU  27  15.499  -3.895   0.871
  223   1HB   LEU  27          HB2       LEU  27  13.434  -2.424  -0.485
  224   2HB   LEU  27          HB1       LEU  27  14.660  -2.888  -1.665
  225    HG   LEU  27           HG       LEU  27  14.474  -5.204  -0.275
  226   1HD1  LEU  27          HD11      LEU  27  11.683  -4.012  -0.254
  227   2HD1  LEU  27          HD12      LEU  27  12.682  -4.267   1.178
  228   3HD1  LEU  27          HD13      LEU  27  12.121  -5.649   0.236
  229   1HD2  LEU  27          HD21      LEU  27  12.625  -4.321  -2.517
  230   2HD2  LEU  27          HD22      LEU  27  13.009  -5.992  -2.103
  231   3HD2  LEU  27          HD23      LEU  27  14.269  -4.925  -2.723
  232    H    MET  28           HN       MET  28  16.002  -0.567  -0.291
  233    HA   MET  28           HA       MET  28  18.450  -1.365  -1.767
  234   1HB   MET  28          HB2       MET  28  16.630   0.987  -1.545
  235   2HB   MET  28          HB1       MET  28  18.303   1.322  -1.989
  236   1HG   MET  28          HG2       MET  28  17.661   0.823  -4.103
  237   2HG   MET  28          HG1       MET  28  17.699  -0.858  -3.572
  238   1HE   MET  28          HE1       MET  28  14.355  -2.120  -3.949
  239   2HE   MET  28          HE2       MET  28  15.935  -2.312  -3.196
  240   3HE   MET  28          HE3       MET  28  15.823  -2.014  -4.929
  241    HA   PRO  29           HA       PRO  29  20.645  -0.411   2.069
  242   1HB   PRO  29          HB2       PRO  29  23.032  -1.488   1.272
  243   2HB   PRO  29          HB1       PRO  29  21.687  -2.468   1.890
  244   1HG   PRO  29          HG2       PRO  29  22.568  -2.015  -0.913
  245   2HG   PRO  29          HG1       PRO  29  21.938  -3.483  -0.149
  246   1HD   PRO  29          HD2       PRO  29  20.455  -1.843  -1.762
  247   2HD   PRO  29          HD1       PRO  29  19.765  -2.886  -0.501
  248    H    GLN  30           HN       GLN  30  22.967   0.664   2.355
  249    HA   GLN  30           HA       GLN  30  22.978   3.123   0.782
  250   1HB   GLN  30          HB2       GLN  30  24.838   3.703   2.315
  251   2HB   GLN  30          HB1       GLN  30  23.468   3.040   3.201
  252   1HG   GLN  30          HG2       GLN  30  24.872   0.758   2.674
  253   2HG   GLN  30          HG1       GLN  30  26.186   1.925   2.814
  254   1HE2  GLN  30          HE21      GLN  30  24.608  -0.247   4.685
  255   2HE2  GLN  30          HE22      GLN  30  24.651   0.550   6.182
  256    H    LEU  31           HN       LEU  31  23.339   1.786  -1.312
  257    HA   LEU  31           HA       LEU  31  26.287   1.426  -1.771
  258   1HB   LEU  31          HB2       LEU  31  24.037  -0.354  -2.062
  259   2HB   LEU  31          HB1       LEU  31  24.743  -0.061  -3.649
  260    HG   LEU  31           HG       LEU  31  25.830  -1.985  -2.585
  261   1HD1  LEU  31          HD11      LEU  31  27.816   0.273  -2.387
  262   2HD1  LEU  31          HD12      LEU  31  27.117  -0.171  -3.944
  263   3HD1  LEU  31          HD13      LEU  31  28.050  -1.354  -3.027
  264   1HD2  LEU  31          HD21      LEU  31  25.360  -1.007  -0.224
  265   2HD2  LEU  31          HD22      LEU  31  26.874  -0.130  -0.444
  266   3HD2  LEU  31          HD23      LEU  31  26.866  -1.893  -0.464
  Start of MODEL   43
    1   1H    SER   1           HT1      SER   1 -23.625   6.378  -3.684
    2   2H    SER   1           HT2      SER   1 -23.861   5.136  -4.819
    3   3H    SER   1           HT3      SER   1 -23.198   6.623  -5.307
    4    HA   SER   1           HA       SER   1 -21.488   4.868  -5.111
    5   1HB   SER   1          HB2       SER   1 -21.211   7.388  -4.743
    6   2HB   SER   1          HB1       SER   1 -21.254   7.045  -3.016
    7    HG   SER   1           HG       SER   1 -19.233   6.533  -3.208
    8    H    GLY   2           HN       GLY   2 -20.287   3.488  -3.644
    9   1HA   GLY   2          HA2       GLY   2 -21.858   2.686  -1.237
   10   2HA   GLY   2          HA1       GLY   2 -20.727   1.643  -2.100
   11    H    SER   3           HN       SER   3 -21.077   3.652   0.583
   12    HA   SER   3           HA       SER   3 -18.148   4.194   0.816
   13   1HB   SER   3          HB2       SER   3 -18.994   5.626   2.734
   14   2HB   SER   3          HB1       SER   3 -19.604   6.080   1.146
   15    HG   SER   3           HG       SER   3 -20.916   5.032   3.334
   16    H    TRP   4           HN       TRP   4 -19.899   1.580   1.422
   17    HA   TRP   4           HA       TRP   4 -19.240   1.150   4.269
   18   1HB   TRP   4          HB2       TRP   4 -21.224   0.344   2.496
   19   2HB   TRP   4          HB1       TRP   4 -20.241  -1.105   2.667
   20    HD1  TRP   4           HD1      TRP   4 -23.231  -0.261   3.979
   21    HE1  TRP   4           HE1      TRP   4 -23.537  -0.756   6.489
   22    HE3  TRP   4           HE3      TRP   4 -18.340  -0.687   5.408
   23    HZ2  TRP   4           HZ2      TRP   4 -21.928  -1.264   8.796
   24    HZ3  TRP   4           HZ3      TRP   4 -17.761  -1.175   7.765
   25    HH2  TRP   4           HH2      TRP   4 -19.546  -1.465   9.459
   26    H    LEU   5           HN       LEU   5 -18.821  -1.842   3.394
   27    HA   LEU   5           HA       LEU   5 -16.030  -2.007   3.701
   28   1HB   LEU   5          HB2       LEU   5 -16.332  -4.311   2.904
   29   2HB   LEU   5          HB1       LEU   5 -17.683  -3.848   3.935
   30    HG   LEU   5           HG       LEU   5 -18.478  -3.058   1.370
   31   1HD1  LEU   5          HD11      LEU   5 -17.657  -5.919   1.083
   32   2HD1  LEU   5          HD12      LEU   5 -16.438  -4.677   0.795
   33   3HD1  LEU   5          HD13      LEU   5 -17.919  -4.697  -0.160
   34   1HD2  LEU   5          HD21      LEU   5 -19.834  -4.094   3.208
   35   2HD2  LEU   5          HD22      LEU   5 -19.122  -5.655   2.801
   36   3HD2  LEU   5          HD23      LEU   5 -20.141  -4.818   1.630
   37    H    ARG   6           HN       ARG   6 -17.847  -1.232   0.798
   38    HA   ARG   6           HA       ARG   6 -15.796  -1.902  -1.135
   39   1HB   ARG   6          HB2       ARG   6 -18.450  -1.090  -1.121
   40   2HB   ARG   6          HB1       ARG   6 -17.614   0.316  -1.781
   41   1HG   ARG   6          HG2       ARG   6 -16.535  -1.086  -3.476
   42   2HG   ARG   6          HG1       ARG   6 -17.292  -2.525  -2.793
   43   1HD   ARG   6          HD2       ARG   6 -19.546  -1.323  -3.207
   44   2HD   ARG   6          HD1       ARG   6 -18.616  -0.230  -4.252
   45    HE   ARG   6           HE       ARG   6 -17.901  -2.237  -5.551
   46   1HH1  ARG   6          HH11      ARG   6 -20.966  -1.969  -5.581
   47   2HH1  ARG   6          HH12      ARG   6 -21.436  -3.618  -5.338
   48   1HH2  ARG   6          HH21      ARG   6 -18.292  -4.628  -4.250
   49   2HH2  ARG   6          HH22      ARG   6 -19.916  -5.130  -4.582
   50    H    ASP   7           HN       ASP   7 -16.422   0.904   0.910
   51    HA   ASP   7           HA       ASP   7 -14.285   2.474  -0.459
   52   1HB   ASP   7          HB2       ASP   7 -16.454   3.533  -0.105
   53   2HB   ASP   7          HB1       ASP   7 -16.407   3.128   1.610
   54    H    ILE   8           HN       ILE   8 -14.885   0.636   2.465
   55    HA   ILE   8           HA       ILE   8 -13.063   1.911   4.255
   56    HB   ILE   8           HB       ILE   8 -14.859   0.068   4.602
   57   1HG1  ILE   8          HG12      ILE   8 -12.236  -0.440   6.013
   58   2HG1  ILE   8          HG11      ILE   8 -13.148   1.046   6.274
   59   1HG2  ILE   8          HG21      ILE   8 -13.601  -1.465   2.931
   60   2HG2  ILE   8          HG22      ILE   8 -14.201  -2.194   4.419
   61   3HG2  ILE   8          HG23      ILE   8 -12.494  -1.778   4.267
   62   1HD1  ILE   8          HD11      ILE   8 -13.727  -0.669   7.962
   63   2HD1  ILE   8          HD12      ILE   8 -14.233  -1.758   6.670
   64   3HD1  ILE   8          HD13      ILE   8 -15.118  -0.260   6.958
   65    H    TRP   9           HN       TRP   9 -12.472  -0.303   1.571
   66    HA   TRP   9           HA       TRP   9  -9.911  -1.306   2.234
   67   1HB   TRP   9          HB2       TRP   9 -11.611  -1.017  -0.085
   68   2HB   TRP   9          HB1       TRP   9  -9.938  -0.691  -0.537
   69    HD1  TRP   9           HD1      TRP   9  -8.396  -2.703  -0.837
   70    HE1  TRP   9           HE1      TRP   9  -8.580  -5.234  -0.380
   71    HE3  TRP   9           HE3      TRP   9 -12.823  -2.820   1.702
   72    HZ2  TRP   9           HZ2      TRP   9 -10.369  -7.065   0.897
   73    HZ3  TRP   9           HZ3      TRP   9 -13.744  -4.966   2.528
   74    HH2  TRP   9           HH2      TRP   9 -12.523  -7.088   2.128
   75    H    ASP  10           HN       ASP  10 -10.819   1.882   0.951
   76    HA   ASP  10           HA       ASP  10  -8.302   2.893   0.163
   77   1HB   ASP  10          HB2       ASP  10 -10.288   4.134  -0.266
   78   2HB   ASP  10          HB1       ASP  10 -10.776   4.091   1.429
   79    H    TRP  11           HN       TRP  11  -9.711   2.623   3.426
   80    HA   TRP  11           HA       TRP  11  -7.753   4.127   4.868
   81   1HB   TRP  11          HB2       TRP  11  -9.602   3.646   6.154
   82   2HB   TRP  11          HB1       TRP  11  -9.872   2.100   5.364
   83    HD1  TRP  11           HD1      TRP  11  -6.625   3.063   7.189
   84    HE1  TRP  11           HE1      TRP  11  -6.292   1.455   9.173
   85    HE3  TRP  11           HE3      TRP  11 -11.010   0.476   6.957
   86    HZ2  TRP  11           HZ2      TRP  11  -7.703  -0.656  10.488
   87    HZ3  TRP  11           HZ3      TRP  11 -11.493  -1.330   8.583
   88    HH2  TRP  11           HH2      TRP  11  -9.848  -1.899  10.348
   89    H    ILE  12           HN       ILE  12  -7.917   0.612   4.150
   90    HA   ILE  12           HA       ILE  12  -5.288   0.101   5.349
   91    HB   ILE  12           HB       ILE  12  -7.048  -1.581   3.537
   92   1HG1  ILE  12          HG12      ILE  12  -7.237  -2.468   6.203
   93   2HG1  ILE  12          HG11      ILE  12  -7.387  -0.712   6.286
   94   1HG2  ILE  12          HG21      ILE  12  -5.791  -3.354   5.116
   95   2HG2  ILE  12          HG22      ILE  12  -4.566  -2.085   5.113
   96   3HG2  ILE  12          HG23      ILE  12  -5.095  -2.803   3.592
   97   1HD1  ILE  12          HD11      ILE  12  -9.428  -0.745   5.320
   98   2HD1  ILE  12          HD12      ILE  12  -9.418  -2.485   5.604
   99   3HD1  ILE  12          HD13      ILE  12  -8.889  -1.843   4.049
  100    H    CYS  13           HN       CYS  13  -6.570   0.662   2.089
  101    HA   CYS  13           HA       CYS  13  -4.305  -0.195   0.578
  102   1HB   CYS  13          HB2       CYS  13  -6.654   0.411  -0.193
  103   2HB   CYS  13          HB1       CYS  13  -6.184   2.105  -0.037
  104    HG   CYS  13           HG       CYS  13  -4.427   1.768  -1.919
  105    H    GLU  14           HN       GLU  14  -5.080   2.952   2.081
  106    HA   GLU  14           HA       GLU  14  -2.851   4.427   1.023
  107   1HB   GLU  14          HB2       GLU  14  -5.019   5.200   2.180
  108   2HB   GLU  14          HB1       GLU  14  -4.199   4.843   3.701
  109   1HG   GLU  14          HG2       GLU  14  -2.543   6.490   3.333
  110   2HG   GLU  14          HG1       GLU  14  -2.914   6.603   1.612
  111    H    VAL  15           HN       VAL  15  -3.273   2.847   4.235
  112    HA   VAL  15           HA       VAL  15  -0.584   3.367   5.121
  113    HB   VAL  15           HB       VAL  15  -2.596   2.818   6.529
  114   1HG1  VAL  15          HG11      VAL  15  -3.537   0.995   5.220
  115   2HG1  VAL  15          HG12      VAL  15  -3.129   0.394   6.827
  116   3HG1  VAL  15          HG13      VAL  15  -2.082   0.028   5.456
  117   1HG2  VAL  15          HG21      VAL  15  -0.288   0.899   6.953
  118   2HG2  VAL  15          HG22      VAL  15  -1.359   1.565   8.186
  119   3HG2  VAL  15          HG23      VAL  15  -0.221   2.617   7.347
  120    H    LEU  16           HN       LEU  16  -1.987   0.793   3.143
  121    HA   LEU  16           HA       LEU  16   0.198  -1.092   3.378
  122   1HB   LEU  16          HB2       LEU  16  -2.195  -1.464   2.569
  123   2HB   LEU  16          HB1       LEU  16  -1.715  -0.695   1.057
  124    HG   LEU  16           HG       LEU  16   0.185  -2.753   1.893
  125   1HD1  LEU  16          HD11      LEU  16  -2.692  -3.548   1.348
  126   2HD1  LEU  16          HD12      LEU  16  -1.801  -3.820   2.846
  127   3HD1  LEU  16          HD13      LEU  16  -1.327  -4.664   1.372
  128   1HD2  LEU  16          HD21      LEU  16  -1.550  -2.568  -0.584
  129   2HD2  LEU  16          HD22      LEU  16   0.004  -3.385  -0.421
  130   3HD2  LEU  16          HD23      LEU  16  -0.077  -1.623  -0.370
  131    H    SER  17           HN       SER  17  -0.580   1.458   0.967
  132    HA   SER  17           HA       SER  17   1.703   0.985  -0.722
  133   1HB   SER  17          HB2       SER  17   1.071   3.112  -1.698
  134   2HB   SER  17          HB1       SER  17  -0.413   2.287  -1.236
  135    HG   SER  17           HG       SER  17   0.913   4.442   0.024
  136    H    ASP  18           HN       ASP  18   1.200   2.988   2.167
  137    HA   ASP  18           HA       ASP  18   3.680   4.433   2.111
  138   1HB   ASP  18          HB2       ASP  18   1.488   4.629   3.558
  139   2HB   ASP  18          HB1       ASP  18   2.309   3.489   4.626
  140    H    PHE  19           HN       PHE  19   2.749   1.257   3.418
  141    HA   PHE  19           HA       PHE  19   5.230   0.637   4.734
  142   1HB   PHE  19          HB2       PHE  19   2.867  -0.438   4.860
  143   2HB   PHE  19          HB1       PHE  19   3.354  -1.344   3.426
  144    HD1  PHE  19           HD1      PHE  19   4.816  -3.211   3.588
  145    HD2  PHE  19           HD2      PHE  19   4.293  -0.597   6.958
  146    HE1  PHE  19           HE1      PHE  19   6.071  -4.802   5.019
  147    HE2  PHE  19           HE2      PHE  19   5.548  -2.188   8.387
  148    HZ   PHE  19           HZ       PHE  19   6.437  -4.291   7.417
  149    H    LYS  20           HN       LYS  20   4.074   0.225   1.391
  150    HA   LYS  20           HA       LYS  20   6.265  -1.409   0.458
  151   1HB   LYS  20          HB2       LYS  20   3.951  -0.930  -0.577
  152   2HB   LYS  20          HB1       LYS  20   4.648   0.586  -1.150
  153   1HG   LYS  20          HG2       LYS  20   6.066  -0.465  -2.641
  154   2HG   LYS  20          HG1       LYS  20   6.172  -1.934  -1.670
  155   1HD   LYS  20          HD2       LYS  20   3.961  -2.628  -2.344
  156   2HD   LYS  20          HD1       LYS  20   3.662  -1.081  -3.139
  157   1HE   LYS  20          HE2       LYS  20   6.096  -2.503  -4.066
  158   2HE   LYS  20          HE1       LYS  20   4.557  -3.289  -4.470
  159   1HZ   LYS  20          HZ1       LYS  20   3.743  -1.291  -5.432
  160   2HZ   LYS  20          HZ2       LYS  20   5.287  -1.549  -6.091
  161   3HZ   LYS  20          HZ3       LYS  20   5.066  -0.389  -4.869
  162    H    THR  21           HN       THR  21   5.639   2.121   0.289
  163    HA   THR  21           HA       THR  21   8.153   2.828  -0.933
  164    HB   THR  21           HB       THR  21   6.396   4.487   0.908
  165    HG1  THR  21           HG1      THR  21   4.930   4.374  -0.568
  166   1HG2  THR  21          HG21      THR  21   7.520   6.293   0.129
  167   2HG2  THR  21          HG22      THR  21   7.556   5.671  -1.520
  168   3HG2  THR  21          HG23      THR  21   8.759   5.132  -0.349
  169    H    TRP  22           HN       TRP  22   7.071   2.614   2.462
  170    HA   TRP  22           HA       TRP  22   9.379   3.689   3.740
  171   1HB   TRP  22          HB2       TRP  22   7.410   3.348   5.014
  172   2HB   TRP  22          HB1       TRP  22   7.224   1.692   4.445
  173    HD1  TRP  22           HD1      TRP  22   9.288   3.811   6.880
  174    HE1  TRP  22           HE1      TRP  22  10.363   2.243   8.624
  175    HE3  TRP  22           HE3      TRP  22   8.005  -0.718   4.903
  176    HZ2  TRP  22           HZ2      TRP  22  10.642  -0.565   9.112
  177    HZ3  TRP  22           HZ3      TRP  22   8.684  -2.819   6.025
  178    HH2  TRP  22           HH2      TRP  22  10.000  -2.749   8.122
  179    H    LEU  23           HN       LEU  23   8.646   0.352   2.675
  180    HA   LEU  23           HA       LEU  23  11.018  -0.881   3.735
  181   1HB   LEU  23          HB2       LEU  23   8.718  -1.526   2.106
  182   2HB   LEU  23          HB1       LEU  23  10.166  -2.231   1.389
  183    HG   LEU  23           HG       LEU  23   9.854  -2.486   4.341
  184   1HD1  LEU  23          HD11      LEU  23   7.590  -3.000   3.461
  185   2HD1  LEU  23          HD12      LEU  23   8.387  -4.433   4.111
  186   3HD1  LEU  23          HD13      LEU  23   8.303  -4.185   2.367
  187   1HD2  LEU  23          HD21      LEU  23  10.894  -4.670   3.875
  188   2HD2  LEU  23          HD22      LEU  23  11.822  -3.372   3.122
  189   3HD2  LEU  23          HD23      LEU  23  10.751  -4.376   2.142
  190    H    LYS  24           HN       LYS  24  10.265   0.439   0.487
  191    HA   LYS  24           HA       LYS  24  12.860  -0.163  -0.649
  192   1HB   LYS  24          HB2       LYS  24  10.804   0.179  -1.962
  193   2HB   LYS  24          HB1       LYS  24  10.702   1.845  -1.393
  194   1HG   LYS  24          HG2       LYS  24  12.287   2.568  -2.850
  195   2HG   LYS  24          HG1       LYS  24  13.306   1.153  -2.585
  196   1HD   LYS  24          HD2       LYS  24  11.372  -0.075  -3.927
  197   2HD   LYS  24          HD1       LYS  24  11.087   1.549  -4.556
  198   1HE   LYS  24          HE2       LYS  24  13.580   1.655  -5.100
  199   2HE   LYS  24          HE1       LYS  24  13.637  -0.083  -4.746
  200   1HZ   LYS  24          HZ1       LYS  24  11.818   1.237  -6.698
  201   2HZ   LYS  24          HZ2       LYS  24  11.825  -0.422  -6.327
  202   3HZ   LYS  24          HZ3       LYS  24  13.168   0.286  -7.088
  203    H    ALA  25           HN       ALA  25  11.477   2.698   0.967
  204    HA   ALA  25           HA       ALA  25  13.566   4.564   0.436
  205   1HB   ALA  25          HB1       ALA  25  11.384   5.150   1.378
  206   2HB   ALA  25          HB2       ALA  25  12.649   5.661   2.496
  207   3HB   ALA  25          HB3       ALA  25  11.724   4.195   2.822
  208    H    LYS  26           HN       LYS  26  13.280   2.022   2.911
  209    HA   LYS  26           HA       LYS  26  15.862   2.821   4.145
  210   1HB   LYS  26          HB2       LYS  26  13.489   1.809   5.097
  211   2HB   LYS  26          HB1       LYS  26  14.481   0.354   5.005
  212   1HG   LYS  26          HG2       LYS  26  15.159   1.059   7.080
  213   2HG   LYS  26          HG1       LYS  26  16.279   2.026   6.120
  214   1HD   LYS  26          HD2       LYS  26  13.552   3.130   6.714
  215   2HD   LYS  26          HD1       LYS  26  14.787   3.177   7.972
  216   1HE   LYS  26          HE2       LYS  26  16.276   4.132   5.952
  217   2HE   LYS  26          HE1       LYS  26  14.682   4.650   5.372
  218   1HZ   LYS  26          HZ1       LYS  26  15.868   5.187   8.047
  219   2HZ   LYS  26          HZ2       LYS  26  14.254   5.531   7.634
  220   3HZ   LYS  26          HZ3       LYS  26  15.527   6.329   6.840
  221    H    LEU  27           HN       LEU  27  14.656   0.608   1.761
  222    HA   LEU  27           HA       LEU  27  15.681  -1.116   0.532
  223   1HB   LEU  27          HB2       LEU  27  17.869   0.699   1.478
  224   2HB   LEU  27          HB1       LEU  27  18.336  -0.825   0.724
  225    HG   LEU  27           HG       LEU  27  16.282   0.219  -0.900
  226   1HD1  LEU  27          HD11      LEU  27  16.883   2.381   0.398
  227   2HD1  LEU  27          HD12      LEU  27  16.854   2.463  -1.363
  228   3HD1  LEU  27          HD13      LEU  27  18.393   2.340  -0.512
  229   1HD2  LEU  27          HD21      LEU  27  18.137   0.440  -2.543
  230   2HD2  LEU  27          HD22      LEU  27  18.221  -1.085  -1.662
  231   3HD2  LEU  27          HD23      LEU  27  19.301   0.241  -1.233
  232    H    MET  28           HN       MET  28  14.735  -1.971   2.944
  233    HA   MET  28           HA       MET  28  15.141  -3.355   4.864
  234   1HB   MET  28          HB2       MET  28  15.552  -5.631   3.929
  235   2HB   MET  28          HB1       MET  28  14.368  -4.716   3.002
  236   1HG   MET  28          HG2       MET  28  17.122  -4.325   2.057
  237   2HG   MET  28          HG1       MET  28  16.580  -5.996   1.947
  238   1HE   MET  28          HE1       MET  28  15.167  -6.033  -1.328
  239   2HE   MET  28          HE2       MET  28  15.935  -6.802   0.058
  240   3HE   MET  28          HE3       MET  28  16.837  -5.632  -0.902
  241    HA   PRO  29           HA       PRO  29  19.713  -2.748   5.244
  242   1HB   PRO  29          HB2       PRO  29  19.640  -1.203   7.500
  243   2HB   PRO  29          HB1       PRO  29  19.513  -0.532   5.862
  244   1HG   PRO  29          HG2       PRO  29  17.399  -0.993   7.884
  245   2HG   PRO  29          HG1       PRO  29  17.539   0.276   6.661
  246   1HD   PRO  29          HD2       PRO  29  15.909  -1.960   6.477
  247   2HD   PRO  29          HD1       PRO  29  16.419  -0.943   5.114
  248    H    GLN  30           HN       GLN  30  18.785  -5.163   5.850
  249    HA   GLN  30           HA       GLN  30  19.901  -5.744   8.517
  250   1HB   GLN  30          HB2       GLN  30  17.830  -6.785   9.324
  251   2HB   GLN  30          HB1       GLN  30  17.523  -5.105   8.892
  252   1HG   GLN  30          HG2       GLN  30  17.018  -6.336   6.509
  253   2HG   GLN  30          HG1       GLN  30  16.508  -7.588   7.641
  254   1HE2  GLN  30          HE21      GLN  30  16.209  -3.980   7.447
  255   2HE2  GLN  30          HE22      GLN  30  14.566  -3.958   7.872
  256    H    LEU  31           HN       LEU  31  20.616  -6.464   5.755
  257    HA   LEU  31           HA       LEU  31  20.812  -9.378   6.098
  258   1HB   LEU  31          HB2       LEU  31  18.552  -8.483   4.914
  259   2HB   LEU  31          HB1       LEU  31  19.607  -8.541   3.501
  260    HG   LEU  31           HG       LEU  31  19.587 -10.890   5.360
  261   1HD1  LEU  31          HD11      LEU  31  17.670 -11.859   4.187
  262   2HD1  LEU  31          HD12      LEU  31  17.495 -10.394   3.220
  263   3HD1  LEU  31          HD13      LEU  31  17.193 -10.346   4.957
  264   1HD2  LEU  31          HD21      LEU  31  21.165 -10.876   3.510
  265   2HD2  LEU  31          HD22      LEU  31  19.881 -10.485   2.367
  266   3HD2  LEU  31          HD23      LEU  31  19.907 -12.060   3.157