*HEADER    TOXIN                                   11-NOV-08   2KAM              
*TITLE     NMR STRUCTURE OF DELTA-TOXIN FROM STAPHYLOCOCCUS AUREUS IN            
*TITLE    2 CD3OH                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DELTA-HEMOLYSIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DELTA-LYSIN, DELTA-TOXIN                                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
*SOURCE   3 ORGANISM_TAXID: 1280;                                                
*SOURCE   4 STRAIN: NCTC 10345                                                   
*KEYWDS    PEPTIDE, CYTOLYTIC, CYTOLYSIS, FORMYLATION, HEMOLYSIS,                
*KEYWDS   2 MEMBRANE, SECRETED, TOXIN, TRANSMEMBRANE                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.LOUREIRO-FERREIRA, J.RODRIGUES, R.M.M.BRITO                         
*REVDAT   1   12-MAY-09 2KAM    0                                                


! noe restraints for dtoxin in MetOH 100% pD aprox. 3

!
! restraints intra-residue: fMET-1 (FMT) 
!
assign (resid   1 and name   HA) (resid   1 and name   HN) 2.5 0.7 0.3 !. 2.6 !; 2.6
assign (resid   1 and name   HF) (resid   1 and name   HN) 2.3 0.5 0.5 !. 6.0   
assign (resid   1 and name   HN) (resid   1 and name  HB#) 2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.5 !. 6.0 !; 2.6 !e
assign (resid   1 and name   HA) (resid   1 and name  HB#) 2.7 0.9 0.1 !3.0 1.2 0.8 !n !; 2.7 !e
assign (resid   1 and name  HG1) (resid   1 and name  HB#) 4.8 3.0 0.2 !n !; 4.8
assign (resid   1 and name  HG2) (resid   1 and name  HB#) 3.7 1.9 0.1 !n !; 3.7
!
! restraints intra-residue: ALA-2 
!
assign (resid   2 and name   HN) (resid   2 and name   HA) 2.6 0.8 0.2 !< !. 2.5 !; 2.4
assign (resid   2 and name   HN) (resid   2 and name  HB#) 3.0 1.2 0.8 !< !. 3.0 !; 3.0
assign (resid   2 and name  HB#) (resid   2 and name   HA) 2.5 0.7 0.3 !n !. 2.9 !; 2.5
!
! restraints intra-residue: GLN-3 
!
assign (resid   3 and name   HA) (resid   3 and name   HN) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.3 !< !. 2.3 !; 2.3 !e
assign (resid   3 and name  HB1) (resid   3 and name   HA) 2.5 0.7 0.3 !< 2.4 !.2.5 !; 2.5
assign (resid   3 and name  HB2) (resid   3 and name   HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.4 !< !. 2.3 !; 2.3 !e
assign (resid   3 and name  HB1) (resid   3 and name  HG1) 2.7 0.9 0.1 !< 2.5 !. 2.4 !; 2.3
assign (resid   3 and name   HN) (resid   3 and name  HB2) 2.3 0.4 0.5 !6.0 4.2 0.0 !? 2.2 !< !. 2.3 !; 2.3 !e
assign (resid   3 and name  HG2) (resid   3 and name  HB1) 2.2 0.4 0.6 !< !; 2.3
assign (resid   3 and name   HN) (resid   3 and name  HG2) 2.8 1.0 1.0 !< !. 2.8 !; 2.8
assign (resid   3 and name   HA) (resid   3 and name  HG2) 3.1 1.3 0.7 !< !. 3.6 !; 3.6
assign (resid   3 and name   HN) (resid   3 and name  HG1) 3.7 1.9 0.1 !<
assign (resid   3 and name  HB2) (resid   3 and name  HG2) 2.3 0.5 0.5 !2.8 1.0 1.0 !< !. 2.4 !; 2.3 !e
assign (resid   3 and name  HG1) (resid   3 and name  HB2) 2.5 0.7 0.3 !n
assign (resid   3 and name  HG1) (resid   3 and name   HA) 6.0 4.2 0.0 !n !; 6.0
!
! restraints intra-residue: ASP-4 
!
assign (resid   4 and name   HA) (resid   4 and name  HB1) 2.2 0.4 0.6 !. 2.3 !; 2.3
assign (resid   4 and name   HN) (resid   4 and name  HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4
assign (resid   4 and name   HN) (resid   4 and name   HA) 2.4 0.6 0.4 !< 6.0 !. 3.3 !; 2.2
assign (resid   4 and name  HB2) (resid   4 and name  HB1) 1.8 0.0 1.0 !< !. 1.9 !; 1.9
assign (resid   4 and name  HB2) (resid   4 and name   HN) 2.6 0.8 0.2 !3.2 1.4 0.6 !< !. 2.6 !e
assign (resid   4 and name   HA) (resid   4 and name  HB2) 6.0 4.2 0.0 !n !; 6.0
!
! restraints intra-residue: ILE-5 
!
assign (resid   5 and name   HA) (resid   5 and name   HN) 2.7 0.9 0.1 !6.0 4.2 0.0 !? 2.3 !. 2.7 !e
!assign (resid   5 and name   HN) (resid   5 and name HG11) 2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.2 !< !. 2.4 !; 6.0 !e
!assign (resid   5 and name   HA) (resid   5 and name HG11) 2.3 0.5 0.5 !. 2.3 !; 2.3
!assign (resid   5 and name   HA) (resid   5 and name HG12) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.1 !; 2.1 !e
assign (resid   5 and name   HA) (resid   5 and name   HB) 2.2 0.4 0.6 !< !. 2.3 !; 2.3
assign (resid   5 and name   HB) (resid   5 and name   HN) 6.0 4.2 0.0 !1.9 0.1 0.9 !. 6.0 !; 6.0 !k
!assign (resid   5 and name   HA) (resid   5 and name HG2#) 6.0 4.2 0.0 !2.4 0.6 0.4 !. 6.0 !; 6.0 !k
!assign (resid   5 and name HD1#) (resid   5 and name   HN) 6.0 4.2 0.0
!assign (resid   5 and name HD1#) (resid   5 and name   HA) 4.3 2.5 0.7 !<
assign (resid   5 and name HD1#) (resid   5 and name   HB) 2.8 1.5 1.5 !1.8 0.0 1.0 !. 1.9 !k
!assign (resid   5 and name HG12) (resid   5 and name   HN) 2.8 1.0 1.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 3.4 !< !. 6.0 !; 2.6 !e !k
assign (resid   5 and name HG2#) (resid   5 and name HG12) 6.0 4.2 0.0 !! !. 6.0 !:
!assign (resid   5 and name   HN) (resid   5 and name HG2#) 6.0 4.2 0.0 !? 2.7 !< !. 6.0 !; 6.0
assign (resid   5 and name   HB) (resid   5 and name HG2#) 6.0 4.2 0.0 !2.0 0.2 0.8 !6.0 4.2 0.0 !! !. 2.0 !; 2.0 !e !k
assign (resid   5 and name HD1#) (resid   5 and name HG11) 6.0 4.2 0.0 !n
assign (resid   5 and name HD1#) (resid   5 and name HG12) 6.0 4.2 0.0 !n
!
! restraints intra-residue: ILE-6 
!
assign (resid   6 and name   HN) (resid   6 and name   HA) 6.0 4.2 0.0 !? 2.2 !< 6.0 !. 6.0 !; 6.0
!assign (resid   6 and name   HN) (resid   6 and name HG2#) 6.0 4.2 0.0 !? 3.0 !< !. 6.0 !; 6.0
assign (resid   6 and name HG12) (resid   6 and name HG11) 1.8 0.0 1.0 !6.0 4.2 0.0 !? 1.8 !< !. 1.8 !; 1.8 !e
!assign (resid   6 and name   HN) (resid   6 and name HG11) 6.0 4.2 0.0 !? 2.2 !. 6.0 !; 6.0
assign (resid   6 and name HD1#) (resid   6 and name HG11) 2.2 0.4 0.6 !< !. 2.3 !; 2.2
assign (resid   6 and name   HN) (resid   6 and name   HB) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0
!assign (resid   6 and name HG11) (resid   6 and name   HA) 3.6 1.8 0.2 !. 2.8 !; 6.0
!assign (resid   6 and name HG12) (resid   6 and name   HN) 2.8 1.0 1.0 !2.6 0.8 0.2 !3.1 1.3 0.7 !< !. 2.6 !; 2.6 !e !k
!assign (resid   6 and name   HA) (resid   6 and name HD1#) 2.8 1.0 1.0 !2.3 0.5 0.5 !. 2.8 !; 6.0 !k
!assign (resid   6 and name   HN) (resid   6 and name HD1#) 2.8 1.0 1.0 !2.6 0.8 0.2 !< !. 2.7 !; 2.7 !k
!assign (resid   6 and name   HA) (resid   6 and name HG12) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0
assign (resid   6 and name   HB) (resid   6 and name HG11) 6.0 4.2 0.0 !? 1.8
!assign (resid   6 and name HG2#) (resid   6 and name   HA) 6.0 4.2 0.0 !2.4 0.6 0.4 !< !. 6.0 !: !g
assign (resid   6 and name   HB) (resid   6 and name HG2#) 6.0 4.2 0.0 !!
assign (resid   6 and name HG11) (resid   6 and name HG2#) 2.9 1.1 0.9 !n !; 2.9
assign (resid   6 and name   HB) (resid   6 and name HD1#) 6.0 4.2 0.0 !n
assign (resid   6 and name HD1#) (resid   6 and name HG2#) 6.0 4.2 0.0 !:
!
! restraints intra-residue: SER-7 
!
assign (resid   7 and name   HN) (resid   7 and name   HA) 6.0 4.2 0.0 !? 2.6 !. 6.0 !; 6.0
!assign (resid   7 and name   HN) (resid   7 and name  HB#) 2.6 0.8 0.2 !< 2.5 !f redundancy
assign (resid   7 and name   HN) (resid   7 and name  HB2) 6.0 4.2 0.0 !? 2.2 !. 6.0 !; 6.0
assign (resid   7 and name   HN) (resid   7 and name  HB1) 2.3 0.5 0.5 !n !; 2.3
assign (resid   7 and name  HB2) (resid   7 and name  HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
assign (resid   7 and name   HA) (resid   7 and name  HB2) 2.2 0.4 0.6 !< !. 2.2
assign (resid   7 and name   HA) (resid   7 and name  HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
!
! restraints intra-residue: THR-8 
!
assign (resid   8 and name   HN) (resid   8 and name HG2#) 3.2 1.4 0.6 !< !. 3.1 !; 3.1
assign (resid   8 and name   HA) (resid   8 and name   HB) 2.7 0.9 0.1 !< 2.2 !. 2.5 !; 2.2
assign (resid   8 and name HG2#) (resid   8 and name   HB) 2.4 0.6 0.4 !2.9 1.1 0.9 !< 2.5 !. 2.8 !; 2.4 !e
assign (resid   8 and name HG2#) (resid   8 and name   HA) 2.5 0.7 0.3 !2.9 1.1 0.9 !< 2.6 !. 2.8 !; 2.5 !e
assign (resid   8 and name   HB) (resid   8 and name   HN) 2.3 0.5 0.5 !< !. 4.1 !; 2.3
assign (resid   8 and name   HN) (resid   8 and name   HA) 6.0 4.2 0.0 !2.0 0.2 0.8 
! continuation from HnHa asg 6.0 4.2 0.0 !? 2.2 !! !< 2.1 !. 2.4 !: !; 2.0 !e !g
!
! restraints intra-residue: ILE-9 
!
!assign (resid   9 and name   HN) (resid   9 and name HG2#) 6.0 4.2 0.0 !3.0 1.2 0.8 !< !. 6.0 !; 6.0 !k
!assign (resid   9 and name HG11) (resid   9 and name   HN) 2.3 0.5 0.5 !< !. 2.5 !; 2.3
assign (resid   9 and name   HA) (resid   9 and name   HN) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.1 !< !. 2.2 !e
assign (resid   9 and name   HB) (resid   9 and name   HN) 6.0 4.2 0.0 !1.9 0.1 0.9 !< !. 2.1 !; 2.0 !j overlapped
!assign (resid   9 and name HG12) (resid   9 and name   HA) 6.0 4.2 0.0 !2.2 0.4 0.6 !< 6.0 !. 6.0 !; 6.0 !h
assign (resid   9 and name   HA) (resid   9 and name   HB) 6.0 4.2 0.0 !? 2.1 !< 
assign (resid   9 and name   HB) (resid   9 and name HG12) 2.2 0.4 0.6 !< !. 2.3 !; 2.3
!assign (resid   9 and name HG12) (resid   9 and name   HN) 2.6 0.8 0.2 !3.0 1.2 0.8 !< !. 2.6 !; 2.6 !e !g
!assign (resid   9 and name HG11) (resid   9 and name   HA) 6.0 4.2 0.0 !? 2.3 !. 6.0 !; 6.0
!assign (resid   9 and name HD1#) (resid   9 and name   HA) 6.0 4.2 0.0 !3.0 1.2 0.8 !. 6.0 !k
assign (resid   9 and name HG12) (resid   9 and name HG11) 6.0 4.2 0.0 !1.8 0.0 1.0 !! !< !. 1.8 !: !; 1.8 !g
assign (resid   9 and name HD1#) (resid   9 and name HG11) 6.0 4.2 0.0 !2.0 0.2 0.8 !! !< 1.9 !. 1.8 !: !; 1.8 !g
assign (resid   9 and name HG12) (resid   9 and name HD1#) 6.0 4.2 0.0 !1.8 0.0 1.0 !! !< !g
assign (resid   9 and name HG12) (resid   9 and name HG2#) 6.0 4.2 0.0 !? 2.1
assign (resid   9 and name   HB) (resid   9 and name HD1#) 6.0 4.2 0.0 !2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.0 !. 2.1 !e !k
!assign (resid   9 and name HD1#) (resid   9 and name   HN) 2.9 1.1 0.9 !4.7 2.9 0.3 !< !. 2.9 !; 2.9 !e
assign (resid   9 and name HG2#) (resid   9 and name HG12) 6.0 4.2 0.0 !! !:
assign (resid   9 and name   HB) (resid   9 and name HG2#) 6.0 4.2 0.0 !!
!assign (resid   9 and name   HA) (resid   9 and name HG2#) 6.0 4.2 0.0 !n !; 6.0
assign (resid   9 and name   HB) (resid   9 and name HG11) 2.8 1.0 1.0 !1.9 0.1 0.9 !n !; 1.9 !k
assign (resid   9 and name HD1#) (resid   9 and name HG2#) 6.0 4.2 0.0 !:
!
! restraints intra-residue: GLY-10 
!
assign (resid  10 and name   HN) (resid  10 and name  HA1) 2.2 0.4 0.6 !< 6.0 !. 2.1 !; 2.1
assign (resid  10 and name   HN) (resid  10 and name  HA2) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.2 !. 2.2 !; 2.2 !e
assign (resid  10 and name  HA1) (resid  10 and name  HA2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
!
! restraints intra-residue: ASP-11
!
assign (resid  11 and name   HN) (resid  11 and name   HA) 2.4 0.6 0.4 !< 2.2 !. 6.0 !; 6.0
assign (resid  11 and name   HN) (resid  11 and name  HB1) 2.3 0.5 0.5 !< 2.2 !. 2.3 !; 2.3
assign (resid  11 and name   HA) (resid  11 and name  HB1) 2.1 0.3 0.7 !< !. 2.7 !; 2.4
assign (resid  11 and name   HA) (resid  11 and name  HB2) 1.9 0.1 0.9 !< !. 2.4 !; 2.2
assign (resid  11 and name   HN) (resid  11 and name  HB2) 6.0 4.2 0.0 !2.7 0.9 0.1 !6.0 4.2 0.0 !! !? 2.4 !< !. 2.7 !; 2.7 !e !g
assign (resid  11 and name  HB1) (resid  11 and name  HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
!
! restraints intra-residue: LEU-12
!
assign (resid  12 and name   HN) (resid  12 and name   HA) 2.3 0.5 0.5 !< 6.0 !. 2.7 !; 2.2
!assign (resid  12 and name  HB#) (resid  12 and name   HN) 6.0 4.2 0.0 !? 2.4, redundancy
assign (resid  12 and name   HN) (resid  12 and name  HB2) 2.0 0.2 0.8 !. 2.0 !; 2.0
assign (resid  12 and name  HB1) (resid  12 and name   HN) 6.0 4.2 0.0 !? 2.0 !. 6.0 !; 6.0
assign (resid  12 and name  HB1) (resid  12 and name   HA) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0
assign (resid  12 and name  HB2) (resid  12 and name   HA) 6.0 4.2 0.0 !! !:
!
! restraints intra-residue: VAL-13
! HG* are stereoassigned: HG1* (pro-R); HG2* (pro-S)
!
assign (resid  13 and name   HN) (resid  13 and name   HB) 2.1 0.3 0.7 !< !. 2.2 !; 2.0
assign (resid  13 and name   HN) (resid  13 and name HG2#) 2.7 0.9 0.1 !. 2.6 !; 2.6 !j
assign (resid  13 and name HG1#) (resid  13 and name   HN) 2.8 1.0 1.0 !3.8 2.0 1.2 !< !. 2.8 !; 2.8 !e !j
assign (resid  13 and name HG2#) (resid  13 and name   HA) 2.7 0.9 0.1 !. 2.4 !; 2.4 !j
assign (resid  13 and name HG1#) (resid  13 and name   HA) 2.6 0.8 0.2 !< 6.0 !. 6.0 !; 6.0 !j
assign (resid  13 and name HG2#) (resid  13 and name   HB) 2.6 0.8 0.2 !< 2.4 !. 2.5 !; 2.5 !j
assign (resid  13 and name HG1#) (resid  13 and name   HB) 2.7 0.9 0.1 !< 2.5 !. 2.7 !; 2.4 !j
assign (resid  13 and name HG2#) (resid  13 and name HG1#) 2.5 0.8 0.3 !4.6 2.8 0.4 !< 2.7 !. 3.0 !; 2.5 !e !j
assign (resid  13 and name   HB) (resid  13 and name   HA) 2.6 0.8 0.2 !< !. 2.5 !; 2.5
assign (resid  13 and name   HA) (resid  13 and name   HN) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.2 !< !. 2.2 !; 2.1 !e
!
! restraints intra-residue: LYS-14
!
assign (resid  14 and name   HN) (resid  14 and name   HA) 2.4 0.6 0.4 !< 2.2 !. 2.2 !; 2.2
assign (resid  14 and name  HD#) (resid  14 and name   HA) 2.7 0.9 0.1 !3.2 1.4 0.6 !< 2.7 !. 3.0 !; 2.7 !e
assign (resid  14 and name   HA) (resid  14 and name  HG#) 2.7 0.9 0.1 !2.8 1.0 1.0 !< !. 2.7 !; 2.7 !e
assign (resid  14 and name  HB#) (resid  14 and name  HG#) 2.8 1.0 1.0 !6.0 4.2 0.0 !? 2.7 !< !. 2.8 !; 2.8 !e
assign (resid  14 and name   HN) (resid  14 and name  HB#) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0
assign (resid  14 and name  HD#) (resid  14 and name   HN) 2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.7 !< 2.6 !. 2.6 !; 2.6 !e
assign (resid  14 and name  HB2) (resid  14 and name   HA) 6.0 4.2 0.0 !? 2.0 !< !. 6.0
assign (resid  14 and name  HB1) (resid  14 and name   HA) 6.0 4.2 0.0 !? 2.0 !< !. 6.0
assign (resid  14 and name  HB#) (resid  14 and name  HD#) 2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.3 !< !. 2.4 !e
assign (resid  14 and name  HD#) (resid  14 and name  HG#) 6.0 4.2 0.0 !2.2 0.4 0.6 !! !< !. 2.2 !: !; 2.2 !g
assign (resid  14 and name  HD#) (resid  14 and name  HE#) 3.0 1.2 0.8 !n
assign (resid  14 and name  HE2) (resid  14 and name  HE1) 1.9 0.1 0.9 !n !; 1.9
assign (resid  14 and name  HB2) (resid  14 and name  HD#) 6.0 4.2 0.0 !n
assign (resid  14 and name  HB1) (resid  14 and name  HD#) 6.0 4.2 0.0 !n
!
! restraints intra-residue: TRP-15
!
assign (resid  15 and name   HN) (resid  15 and name   HA) 2.4 0.6 0.4 !< 2.3 !. 2.2 !; 2.2
assign (resid  15 and name  HD1) (resid  15 and name  HB1) 3.6 1.8 0.2 !< !. 3.0 !; 2.9
assign (resid  15 and name   HN) (resid  15 and name  HB2) 2.4 0.6 0.4 !< !. 2.2 !; 2.2
assign (resid  15 and name  HB1) (resid  15 and name   HA) 2.5 0.7 0.3 !< !. 2.3 !; 2.3
assign (resid  15 and name  HB2) (resid  15 and name  HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
assign (resid  15 and name  HZ2) (resid  15 and name  HE1) 3.1 1.3 0.7 !< !. 3.3 !; 3.2
assign (resid  15 and name  HZ3) (resid  15 and name  HE3) 2.5 0.7 0.3 !< 2.4 !. 2.7 !; 2.3
assign (resid  15 and name  HH2) (resid  15 and name  HZ2) 2.6 0.8 0.2 !< 2.2
assign (resid  15 and name  HE1) (resid  15 and name  HD1) 2.6 0.8 0.2 !< !. 2.5 !; 2.3
assign (resid  15 and name  HD1) (resid  15 and name  HB2) 2.8 1.0 1.0 !4.3 2.5 0.7 !< !. 2.8 !; 2.8 !e
assign (resid  15 and name   HA) (resid  15 and name  HB2) 2.1 0.3 0.7 !< !. 6.0 !; 6.0
assign (resid  15 and name  HD1) (resid  15 and name   HA) 2.7 0.9 0.1 !3.8 2.0 1.2 !< !. 2.9 !; 2.7 !e
assign (resid  15 and name   HN) (resid  15 and name  HD1) 2.6 0.8 0.2 !< !. 4.6 !; 4.6
assign (resid  15 and name  HE3) (resid  15 and name  HB1) 2.6 0.8 0.2 !3.2 1.4 0.6 !< 2.6 !. 3.0 !; 2.6 !e
assign (resid  15 and name  HB1) (resid  15 and name   HN) 2.3 0.5 0.5 !6.0 4.2 0.0 !< 2.3 !. 2.4 !; 2.3 !e
assign (resid  15 and name  HE3) (resid  15 and name  HB2) 3.0 1.2 0.8 !< !. 3.0 !; 2.9
assign (resid  15 and name  HE3) (resid  15 and name   HA) 3.3 1.5 0.5 !< !. 2.9 !; 2.9
assign (resid  15 and name  HE3) (resid  15 and name  HH2) 4.3 2.5 0.7 !n !; 4.3
!
! restraints intra-residue: ILE-16
!
assign (resid  16 and name   HN) (resid  16 and name   HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.4 !. 6.0 !; 2.3 !e
!assign (resid  16 and name   HN) (resid  16 and name HG1#) 3.5 1.7 0.3 !< !. 3.1 !; 2.8
!assign (resid  16 and name   HN) (resid  16 and name HG2#) 3.2 1.4 0.6 !< !. 3.1 !; 3.1
assign (resid  16 and name   HB) (resid  16 and name   HN) 2.0 0.2 0.8 !< !. 2.0 !; 1.9
assign (resid  16 and name   HB) (resid  16 and name HG1#) 6.0 4.2 0.0 !2.0 0.2 0.8 !! !< !. 2.0 !; 2.0 !g
!assign (resid  16 and name   HA) (resid  16 and name HG1#) 6.0 4.2 0.0 !2.5 0.7 0.3 !6.0 4.2 0.0 !? 2.5 !. 2.5 !; 2.5 !e !k
assign (resid  16 and name   HA) (resid  16 and name   HB) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.3 !< !. 2.1 !e
!assign (resid  16 and name   HA) (resid  16 and name HG2#) 6.0 4.2 0.0 !2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.5 !< !. 2.4 !e !k
assign (resid  16 and name HG2#) (resid  16 and name   HB) 6.0 4.2 0.0 !2.2 0.4 0.6 !< !. 6.0 !; 6.0 !k
assign (resid  16 and name HG2#) (resid  16 and name HG1#) 6.0 4.2 0.0 !! !:
!
! restraints intra-residue: ILE-17
!
assign (resid  17 and name   HA) (resid  17 and name   HN) 6.0 4.2 0.0 !? 2.2 !< !. 6.0 !; 6.0
assign (resid  17 and name   HB) (resid  17 and name   HN) 2.0 0.2 0.8 !6.0 4.2 0.0 !? 2.0 !. 2.1 !; 2.0 !e
!assign (resid  17 and name HG11) (resid  17 and name   HN) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.2 !. 2.3 !; 2.1 !e
assign (resid  17 and name   HB) (resid  17 and name   HA) 2.7 0.9 0.1 !< 2.6 !. 2.5 !; 2.5
!assign (resid  17 and name HG11) (resid  17 and name   HA) 2.6 0.8 0.2 !< 2.5 !. 2.3 !; 2.3 !g !k
!assign (resid  17 and name HG12) (resid  17 and name   HA) 2.0 0.2 0.8
!assign (resid  17 and name   HA) (resid  17 and name HG2#) 6.0 4.2 0.0 !? 2.4 !< !. 6.0 !; 6.0
!assign (resid  17 and name HG12) (resid  17 and name   HN) 2.8 1.0 1.0 !2.4 0.6 0.4 !. 2.5 !; 2.5 !k
!assign (resid  17 and name HG2#) (resid  17 and name   HN) 3.6 1.8 0.2 !< !. 2.8 !; 2.8
!assign (resid  17 and name   HA) (resid  17 and name HD1#) 2.5 0.8 0.3 !2.9 1.1 0.9 !< !. 2.5 !; 2.5 !e !k
assign (resid  17 and name   HB) (resid  17 and name HG2#) 6.0 4.2 0.0 !? 2.0 !! !<
assign (resid  17 and name   HB) (resid  17 and name HD1#) 6.0 4.2 0.0 !2.1 0.3 0.7 !< !k
assign (resid  17 and name HG2#) (resid  17 and name HG12) 6.0 4.2 0.0 !! !:
assign (resid  17 and name HG12) (resid  17 and name HG11) 6.0 4.2 0.0 !! !:
assign (resid  17 and name HD1#) (resid  17 and name HG11) 6.0 4.2 0.0 !! !:
assign (resid  17 and name HG12) (resid  17 and name HD1#) 6.0 4.2 0.0 !!
!assign (resid  17 and name   HN) (resid  17 and name HD1#) 3.1 1.3 0.7 !n !; 3.1
!
! restraints intra-residue: THR-18
!
assign (resid  18 and name   HN) (resid  18 and name   HA) 2.4 0.6 0.4 !< 6.0 !. 2.2 !; 2.2
assign (resid  18 and name   HN) (resid  18 and name  HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4
assign (resid  18 and name   HN) (resid  18 and name  HB2) 2.7 0.9 0.1 !2.8 1.0 1.0 !< !. 2.9 !; 2.7 !e
assign (resid  18 and name  HB1) (resid  18 and name  HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
assign (resid  18 and name   HA) (resid  18 and name  HB1) 6.0 4.2 0.0 !? 2.2 !<
assign (resid  18 and name  HB2) (resid  18 and name   HA) 2.3 0.5 0.5 !. 6.0 !; 2.3
!
! restraints intra-residue: THR-19
!
assign (resid  19 and name   HN) (resid  19 and name   HB) 2.3 0.5 0.5 !. 3.0 !; 2.3
assign (resid  19 and name   HN) (resid  19 and name   HA) 2.5 0.7 0.3 !< 6.0 !. 2.7 !; 2.3
assign (resid  19 and name HG2#) (resid  19 and name   HB) 2.4 0.6 0.4 !3.3 1.5 0.5 !< 2.5 !. 3.6 !; 2.4 !e
assign (resid  19 and name   HA) (resid  19 and name   HB) 2.4 0.6 0.4 !2.9 1.1 0.9 !< 2.5 !. 2.6 !; 2.4 !e
assign (resid  19 and name HG2#) (resid  19 and name   HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.6 !. 2.3 !e
assign (resid  19 and name HG2#) (resid  19 and name   HN) 3.1 1.3 0.7 !6.0 4.2 0.0 !. 3.1 !; 3.1 !e
!
! restraints intra-residue: VAL-20
! HG* are stereoassigned: HG1* (pro-R); HG2* (pro-S)
!
assign (resid  20 and name   HN) (resid  20 and name   HA) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.2 !< !. 2.2 !e
assign (resid  20 and name   HN) (resid  20 and name HG2#) 2.7 0.9 0.1 !2.8 1.0 1.0 !< !. 2.7 !; 2.7 !e !j
assign (resid  20 and name   HN) (resid  20 and name HG1#) 3.0 1.2 0.8 !< !. 3.1 !; 3.1 !j
assign (resid  20 and name   HB) (resid  20 and name   HN) 2.0 0.2 0.8 !6.0 4.2 0.0 !? 2.0 !< !. 2.1 !; 2.0 !e
assign (resid  20 and name HG2#) (resid  20 and name   HA) 2.7 0.9 0.1 !< 2.3 !. 2.3 !; 2.3 !j
assign (resid  20 and name   HB) (resid  20 and name HG2#) 2.3 0.5 0.5 !< !. 2.4 !; 2.4 !j
assign (resid  20 and name HG2#) (resid  20 and name HG1#) 1.9 0.1 0.9 !< !. 3.0 !; 2.3
assign (resid  20 and name   HA) (resid  20 and name   HB) 2.5 0.7 0.3 !< !. 2.5
assign (resid  20 and name HG1#) (resid  20 and name   HB) 6.0 4.2 0.0 !n !; 6.0 !j
assign (resid  20 and name   HA) (resid  20 and name HG1#) 6.0 4.2 0.0 !: only on noe250_set1_m !j
!
! restraints intra-residue: ASN-21
!
assign (resid  21 and name   HN) (resid  21 and name   HA) 2.4 0.6 0.4 !< 2.2 !. 6.0 !; 6.0
assign (resid  21 and name   HN) (resid  21 and name  HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4
assign (resid  21 and name HD21) (resid  21 and name  HB1) 2.8 1.0 1.0 !3.2 1.4 0.6 !< 2.8 !. 3.7 !; 3.0 !e
assign (resid  21 and name  HB2) (resid  21 and name   HA) 2.6 0.8 0.2 !< 2.3 !. 2.6 !; 2.6
assign (resid  21 and name  HB2) (resid  21 and name  HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
assign (resid  21 and name HD22) (resid  21 and name HD21) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
assign (resid  21 and name   HA) (resid  21 and name  HB1) 1.9 0.1 0.9 !< !. 2.2 !; 2.2
assign (resid  21 and name   HN) (resid  21 and name  HB2) 6.0 4.2 0.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.5 !! !< !. 2.6 !; 2.6 !e !g
assign (resid  21 and name HD21) (resid  21 and name  HB2) 3.5 1.7 0.3 !< !. 4.4 !; 3.1
assign (resid  21 and name HD22) (resid  21 and name  HB1) 3.4 1.6 0.4 !<
assign (resid  21 and name  HB2) (resid  21 and name HD22) 3.1 1.3 0.7 !< !. 4.3 !; 4.3
assign (resid  21 and name HD21) (resid  21 and name   HA) 2.9 1.1 0.9 !n !; 2.9
!
! restraints intra-residue: LYS-22
!
assign (resid  22 and name  HB2) (resid  22 and name   HA) 2.4 0.6 0.4 !< !. 2.4 !; 2.4
assign (resid  22 and name  HG#) (resid  22 and name  HB1) 2.9 1.1 0.9 !<
assign (resid  22 and name  HE2) (resid  22 and name  HD#) 3.3 1.5 0.5 !< !. 3.0 !; 3.0
assign (resid  22 and name   HA) (resid  22 and name  HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4
assign (resid  22 and name  HG#) (resid  22 and name   HN) 2.9 1.1 0.9 !4.0 2.2 1.0 !< 3.2 !. 2.9 !; 2.9 !e
!assign (resid  22 and name  HB1) (resid  22 and name   HN) 2.3 0.5 0.5 !< !. 2.2 !; 2.2 !k
assign (resid  22 and name  HB2) (resid  22 and name   HN) 2.6 0.8 0.2 !< 2.4 !. 2.2 !; 2.2
assign (resid  22 and name  HB1) (resid  22 and name  HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
assign (resid  22 and name   HN) (resid  22 and name   HA) 6.0 4.2 0.0 !! !:
assign (resid  22 and name  HB2) (resid  22 and name  HG#) 6.0 4.2 0.0 !! !:
!assign (resid  22 and name  HD#) (resid  22 and name  HB1) 2.6 0.8 0.2 !n !; 2.5 !k
assign (resid  22 and name  HE1) (resid  22 and name  HB2) 2.7 0.9 0.1 !n
assign (resid  22 and name  HE1) (resid  22 and name   HN) 6.0 4.2 0.0 !n
!assign (resid  22 and name   HN) (resid  22 and name  HD#) 3.3 1.5 0.5 !n !; 3.3 !l
!
! restraints intra-residue: PHE-23
!
assign (resid  23 and name   HN) (resid  23 and name  HB2) 2.3 0.5 0.5 !< !. 2.4 !; 2.3
assign (resid  23 and name  HB1) (resid  23 and name   HN) 2.7 0.9 0.2 !2.9 1.1 0.9 !< 2.7 !. 2.7 !; 2.7 !e
assign (resid  23 and name  HB1) (resid  23 and name   HA) 2.6 0.8 0.2 !< 2.1 !. 2.6 !; 2.6
assign (resid  23 and name  HB1) (resid  23 and name  HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8
assign (resid  23 and name  HD#) (resid  23 and name  HB2) 3.5 1.7 0.3 !< !. 4.4 !; 4.4
assign (resid  23 and name   HA) (resid  23 and name   HN) 2.3 0.5 0.5 !< !. 3.2 !; 2.1
assign (resid  23 and name  HB2) (resid  23 and name   HA) 2.3 0.5 0.5
assign (resid  23 and name  HD#) (resid  23 and name   HA) 2.9 1.1 0.9 !n !; 2.9
assign (resid  23 and name  HD#) (resid  23 and name  HB1) 4.3 2.5 0.7 !n !; 4.3
!
! restraints intra-residue: THR-24
!
assign (resid  24 and name   HN) (resid  24 and name   HA) 6.0 4.2 0.0 !2.6 0.8 0.2 !< 2.2 !. 6.0 !: !; 6.0 !g
assign (resid  24 and name   HN) (resid  24 and name HG2#) 3.4 1.6 0.4 !< !. 3.2 !; 3.1
assign (resid  24 and name   HA) (resid  24 and name HG2#) 6.0 4.2 0.0 !? 2.4 !< !: 
assign (resid  24 and name   HB) (resid  24 and name HG2#) 6.0 4.2 0.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.5 !< !. 2.6 !: !; 2.6 !e !g
assign (resid  24 and name   HB) (resid  24 and name   HN) 6.0 4.2 0.0 !n !: !; 6.0
!
! restraints intra-residue: LYS-25
!
assign (resid  25 and name   HN) (resid  25 and name  HD2) 6.0 4.2 0.0 !? 2.5 !< !:
assign (resid  25 and name  HD2) (resid  25 and name  HB#) 2.4 0.6 0.4 !< 2.3 !. 2.3 !; 2.3
assign (resid  25 and name   HA) (resid  25 and name  HD2) 2.5 0.7 0.3 !< !. 3.1 !; 3.1
assign (resid  25 and name  HG2) (resid  25 and name   HA) 6.0 4.2 0.0 !2.5 0.7 0.3 !4.4 2.6 0.6 !< 2.6 !. 2.5 !; 2.5 !e
! continuation of last line !j low, overlapped
assign (resid  25 and name   HN) (resid  25 and name  HB#) 2.2 0.4 0.6 !<  !. 2.3 !; 2.3
assign (resid  25 and name  HG1) (resid  25 and name  HB#) 2.4 0.6 0.4 !<
assign (resid  25 and name  HB#) (resid  25 and name   HA) 6.0 4.2 0.0 !2.3 0.5 0.5 !! !< !: !g
assign (resid  25 and name   HA) (resid  25 and name  HD1) 2.6 0.8 0.2 !<
assign (resid  25 and name  HG1) (resid  25 and name   HA) 3.1 1.3 0.7 !4.2 2.4 0.8 !. 3.1 !e
assign (resid  25 and name   HA) (resid  25 and name   HN) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.0 !. 2.2 !; 6.0 !e
assign (resid  25 and name  HG2) (resid  25 and name  HB#) 2.2 0.4 0.6 !<
assign (resid  25 and name  HD2) (resid  25 and name  HD1) 6.0 4.2 0.0 !: only on noe250_set1_m
assign (resid  25 and name  HD2) (resid  25 and name  HE#) 6.0 4.2 0.0 !: only on noe250_set1_m
!
! restraints intra-residue: LYS-26
!
assign (resid  26 and name   HN) (resid  26 and name   HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.6 !. 2.3 !; 2.3 !e
assign (resid  26 and name  HB2) (resid  26 and name  HG#) 2.4 0.6 0.4 !< !. 2.6 !; 2.3
assign (resid  26 and name   HA) (resid  26 and name  HB1) 2.4 0.6 0.4 !< !. 2.5 !; 2.5
assign (resid  26 and name  HE#) (resid  26 and name  HG#) 6.0 4.2 0.0 !3.5 1.7 0.3 !6.0 4.2 0.0 !< !. 3.5 !: !; 3.5 !e !g
assign (resid  26 and name   HN) (resid  26 and name  HB2) 6.0 4.2 0.0 !? 2.3 !< !. 6.0
assign (resid  26 and name   HN) (resid  26 and name  HG#) 6.0 4.2 0.0 !2.6 0.8 0.2 !n !: !; 2.6 !g
assign (resid  26 and name  HB2) (resid  26 and name  HB1) 1.8 0.0 1.0 !n !; 1.8
assign (resid  26 and name  HB1) (resid  26 and name  HG#) 2.7 0.9 0.1 !n
assign (resid  26 and name   HN) (resid  26 and name  HD#) 3.4 1.6 0.4 !n !; 3.4
assign (resid  26 and name  HB2) (resid  26 and name  HE#) 3.1 1.3 0.7 !n !; 3.1
assign (resid  26 and name  HE#) (resid  26 and name  HB1) 4.3 2.5 0.7 !n !; 4.3
assign (resid  26 and name   HA) (resid  26 and name  HG#) 2.9 1.1 0.9 !n !; 2.9
assign (resid  26 and name  HG#) (resid  26 and name  HD#) 6.0 4.2 0.0 !: only on noe250_set1_m
!
! restraints inter-residue (i, i+1)
!
! 1 vs 2
!
assign (resid   2 and name   HN) (resid   1 and name   HA) 2.6 0.6 0.2 !2.9 1.1 0.9 !< !. 2.9 !; 2.6 !e
!assign (resid   1 and name  HB#) (resid   2 and name  HB#) 3.8 2.0 1.2 !n !; 3.8 !f
!assign (resid   2 and name   HA) (resid   1 and name   HA) 3.1 1.3 0.7 !n !; 2.7 !f
assign (resid   2 and name   HN) (resid   1 and name  HB#) 2.9 1.1 0.9 !n !; 2.9
!
! 2 vs 3
!
assign (resid   3 and name   HN) (resid   2 and name  HB#) 3.7 1.9 0.1 !< !. 3.5 !; 3.5
assign (resid   3 and name   HN) (resid   2 and name   HA) 6.0 4.2 0.0 !2.4 0.6 0.4 !! !: !< 2.2 !. 2.4 !; 2.3 !g
!assign (resid   2 and name   HA) (resid   3 and name  HB2) 2.3 0.5 0.5 !n !f
!assign (resid   3 and name  HB2) (resid   2 and name   HN) 6.0 4.2 0.0 !n !f
assign (resid   3 and name   HN) (resid   2 and name   HN) 2.1 0.3 0.7 !n !; 2.1
!
! 3 vs 4
!
assign (resid   3 and name  HB1) (resid   4 and name   HN) 2.6 0.8 0.2 !< !. 2.7 !; 2.7
assign (resid   3 and name   HN) (resid   4 and name   HN) 1.9 0.1 0.9 !< !. 1.9
assign (resid   3 and name   HA) (resid   4 and name   HN) 3.9 2.1 1.1 !6.0 4.2 0.0 !? 2.4 !. 3.9 !; 6.0 !e
assign (resid   3 and name  HG2) (resid   4 and name   HN) 6.0 4.2 0.0 !n
!
! 4 vs 5
!
assign (resid   4 and name  HB2) (resid   5 and name   HN) 3.2 1.4 0.6 !n
!
! 5 vs 6
!
assign (resid   6 and name   HN) (resid   5 and name   HA) 3.4 1.6 0.4 !2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.5 !. 2.3 !; 2.3 !e !g
assign (resid   6 and name   HN) (resid   5 and name   HB) 6.0 4.2 0.0 !? 1.9
!
! 6 vs 7
!
assign (resid   6 and name   HA) (resid   7 and name   HN) 6.0 4.2 0.0 !? 2.3 !. 6.0
!assign (resid   6 and name   HN) (resid   7 and name  HB2) 2.9 1.1 0.9 !f
assign (resid   7 and name   HN) (resid   6 and name   HB) 2.2 0.4 0.6 !n !; 2.2
!assign (resid   7 and name  HB2) (resid   6 and name HG2#) 2.6 0.8 0.2 !n !; 2.6 !f
!
! 7 vs 8
!
assign (resid   7 and name  HB2) (resid   8 and name   HN) 2.8 1.0 1.0 !2.4 0.6 0.4 !< !g
assign (resid   7 and name   HA) (resid   8 and name   HN) 3.3 1.5 0.5 !2.6 0.8 0.2 !< !g
assign (resid   7 and name   HN) (resid   8 and name   HN) 6.0 4.2 0.0 !2.1 0.3 0.7 !! !< !. 6.0 !g
assign (resid   8 and name   HN) (resid   7 and name  HB1) 2.5 0.7 0.3 !< 2.4 !. 2.5 !; 2.5
!
! 8 vs 9
!
assign (resid   8 and name HG2#) (resid   9 and name   HN) 6.0 4.2 0.0 !? 3.7 !<
assign (resid   9 and name   HN) (resid   8 and name   HB) 2.4 0.6 0.4 !< 2.2 !. 6.0 !; 2.2
assign (resid   9 and name   HN) (resid   8 and name   HN) 2.2 0.4 0.6 !< !. 6.0 !; 6.0
assign (resid   8 and name   HA) (resid   9 and name   HN) 2.9 1.1 0.9 !n !; 6.0
!
! 9 vs 10
!
assign (resid   9 and name   HN) (resid  10 and name   HN) 2.3 0.5 0.5 !< 2.2 !. 2.3 !; 2.0
assign (resid  10 and name   HN) (resid   9 and name   HB) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.0 !. 2.2 !; 6.0 !e
assign (resid  10 and name   HN) (resid   9 and name HG12) 2.7 0.9 0.1 !<
assign (resid  10 and name   HN) (resid   9 and name HG2#) 3.2 1.4 0.6 !. 3.3 !; 3.3
!
! 10 vs 11
!
assign (resid  10 and name  HA1) (resid  11 and name   HN) 6.0 4.2 0.0 !? 2.3 !. 6.0
assign (resid  10 and name  HA2) (resid  11 and name   HN) 2.9 1.1 0.9 !6.0 4.2 0.0 !? 2.3 !< !. 2.9 !e
assign (resid  10 and name   HN) (resid  11 and name   HN) 1.8 0.0 1.0 !n !; 1.8
!
! 11 vs 12
!
assign (resid  12 and name   HN) (resid  11 and name   HA) 6.0 4.2 0.0 !? 2.3 !. 6.0
assign (resid  12 and name   HN) (resid  11 and name  HB2) 3.2 1.4 0.6 !< !. 3.7 !; 3.7
assign (resid  12 and name   HN) (resid  11 and name  HB1) 2.6 0.8 0.2 !< !. 2.8 !; 2.8
assign (resid  12 and name   HN) (resid  11 and name   HN) 1.8 0.0 1.0 !n !; 1.8
!
! 12 vs 13
!
assign (resid  12 and name  HB2) (resid  13 and name   HN) 6.0 4.2 0.0 !? 2.2
assign (resid  12 and name   HA) (resid  13 and name   HN) 2.8 1.0 1.0 !2.7 0.9 0.1 !< !. 2.5 !; 2.5 !g
assign (resid  13 and name   HN) (resid  12 and name   HN) 6.0 4.2 0.0 !! !. 6.0 !:
!
! 13 vs 14
!
assign (resid  13 and name HG2#) (resid  14 and name   HN) 3.2 1.4 0.6 !4.3 2.5 0.7 !< !. 3.3 !; 3.2 !e !j
assign (resid  13 and name HG1#) (resid  14 and name   HN) 3.6 1.8 0.2 !. 6.0 !j
assign (resid  13 and name   HA) (resid  14 and name   HN) 2.8 1.0 1.0 !2.7 0.9 0.1 !< !. 2.9 !; 2.9 !g
assign (resid  14 and name   HN) (resid  13 and name   HN) 6.0 4.2 0.0 !2.4 0.6 0.4 !! !< 6.0 !. 6.0 !: !g
assign (resid  14 and name   HN) (resid  13 and name   HB) 2.6 0.8 0.2 !< 2.5 !. 2.6
!assign (resid  13 and name   HB) (resid  14 and name   HA) 3.2 1.4 0.6 !n !f
!
! 14 vs 15
!
!assign (resid  14 and name  HB1) (resid  15 and name   HN) 2.2 0.4 0.6 !redundancy !f
assign (resid  15 and name   HN) (resid  14 and name  HB#) 2.5 0.7 0.3 !6.0 4.2 0.0 !? 2.3 !. 2.5 !e
assign (resid  15 and name   HN) (resid  14 and name   HA) 6.0 4.2 0.0 !? 2.3 !. 6.0
assign (resid  14 and name   HN) (resid  15 and name   HN) 6.0 4.2 0.0 !n
!
! 15 vs 16
!
assign (resid  15 and name   HN) (resid  16 and name   HN) 2.1 0.3 0.7 !< 1.9 !. 2.1
assign (resid  15 and name  HB1) (resid  16 and name   HN) 6.0 4.2 0.0 !2.4 0.6 0.4 !< 6.0 !. 2.3 !: !; 2.3 !g
assign (resid  15 and name  HB2) (resid  16 and name   HN) 3.2 1.4 0.6 !< 2.9 !. 2.9 !; 2.9
!assign (resid  16 and name   HB) (resid  15 and name  HB1) 2.1 0.3 0.7 !. 6.0 !f
!assign (resid  15 and name  HE3) (resid  16 and name   HA) 3.0 1.2 0.8 !n !; 2.9 !f
!assign (resid  15 and name  HD1) (resid  16 and name   HA) 2.9 1.1 0.9 !n !; 2.9 !f
!assign (resid  15 and name   HN) (resid  16 and name   HA) 4.1 2.3 0.9 !n !; 4.1 !f
assign (resid  16 and name   HN) (resid  15 and name   HA) 6.0 4.2 0.0 !n
!
! 16 vs 17
!
assign (resid  16 and name   HB) (resid  17 and name   HN) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.1 !< !. 2.3 !; 2.1 !e
assign (resid  16 and name   HA) (resid  17 and name   HN) 6.0 4.2 0.0 !n
!assign (resid  16 and name   HB) (resid  17 and name   HA) 6.0 4.2 0.0 !n !f
assign (resid  17 and name   HN) (resid  16 and name   HN) 6.0 4.2 0.0 !n
!
! 17 vs 18
!
assign (resid  18 and name   HN) (resid  17 and name   HB) 2.4 0.6 0.4 !< !. 2.4 !; 2.3
assign (resid  18 and name   HN) (resid  17 and name   HA) 6.0 4.2 0.0 !? 2.5 !< !. 6.0 !; 6.0
assign (resid  17 and name HG11) (resid  18 and name   HN) 4.4 2.6 0.6 !n !; 4.4
assign (resid  17 and name   HN) (resid  18 and name   HN) 6.0 4.2 0.0 !n
assign (resid  18 and name   HN) (resid  17 and name HG2#) 6.0 4.2 0.0 !n !; 6.0
!
! 18 vs 19
!
assign (resid  18 and name   HA) (resid  19 and name   HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !g crowded  
assign (resid  19 and name   HN) (resid  18 and name  HB1) 2.6 0.8 0.2 !< !. 3.4 !; 2.9
assign (resid  19 and name   HN) (resid  18 and name  HB2) 3.1 1.3 0.7 !< !. 4.6 !; 4.6
assign (resid  19 and name   HN) (resid  18 and name   HN) 2.8 1.0 1.0 !< 2.5 !. 2.9 !; 2.8
!assign (resid  18 and name   HN) (resid  19 and name   HA) 3.2 1.4 0.6 !n !; 3.2 !f
!
! 19 vs 20
!
!assign (resid  19 and name   HN) (resid  20 and name HG1#) 3.0 1.2 0.8 !< !f !j
assign (resid  19 and name   HN) (resid  20 and name   HN) 2.5 0.8 0.3 !2.8 1.0 1.0 !< 2.2 !. 2.8 !; 2.5 !e
assign (resid  19 and name   HB) (resid  20 and name   HN) 6.0 4.2 0.0 !! !:
assign (resid  19 and name HG2#) (resid  20 and name   HN) 6.0 4.2 0.0 !n !j
assign (resid  19 and name   HA) (resid  20 and name   HN) 6.0 4.2 0.0 !n
!
! 20 vs 21
!
assign (resid  20 and name   HB) (resid  21 and name   HN) 2.3 0.5 0.5 !< 2.2 !. 2.4 !; 2.4
assign (resid  21 and name   HN) (resid  20 and name HG1#) 2.9 1.1 0.9 !< !. 2.9 !; 2.9 !j
assign (resid  21 and name   HN) (resid  20 and name HG2#) 3.5 1.7 0.3 !< !. 3.3 !; 3.3 !j
assign (resid  20 and name   HN) (resid  21 and name   HN) 1.8 0.0 1.0 !n !; 1.8
assign (resid  21 and name   HN) (resid  20 and name   HA) 6.0 4.2 0.0 !n
!
! 21 vs 22
!
assign (resid  22 and name   HN) (resid  21 and name  HB1) 2.9 1.1 0.9 !< 2.7 !. 3.3 !; 6.0
assign (resid  22 and name   HN) (resid  21 and name  HB2) 3.0 1.2 0.8 !< 2.8 !. 6.0
assign (resid  22 and name   HN) (resid  21 and name   HN) 6.0 4.2 0.0 !2.4 0.6 0.4 !6.0 4.2 0.0 !! !. 2.4 !; 6.0 !e !g
!
! 23 vs 24
!
assign (resid  23 and name  HB1) (resid  24 and name   HN) 3.2 1.4 0.6 !< !. 3.4 !; 3.4
assign (resid  24 and name   HN) (resid  23 and name  HB2) 3.8 3.0 1.2 !3.1 1.3 0.7 !< !i
assign (resid  24 and name   HN) (resid  23 and name   HA) 3.1 1.3 0.7 !< 2.3 !. 4.3 !; 2.5
assign (resid  24 and name   HN) (resid  23 and name   HN) 1.8 0.0 1.0 !n !; 1.8
!
! 24 vs 25
!
assign (resid  24 and name   HA) (resid  25 and name   HN) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.0 !. 2.3 !e
assign (resid  25 and name   HN) (resid  24 and name   HN) 2.2 0.4 0.6 !< !. 2.2 !; 2.2
!
! 25 vs 26
!
assign (resid  26 and name   HN) (resid  25 and name   HA) 6.0 4.2 0.0 !? 2.1
!
! restraints inter-residue (i, i+2)
!
! 1 vs 3
!
assign (resid   3 and name   HN) (resid   1 and name   HA) 6.0 4.2 0.0 !2.8 1.0 1.0 !n !; 2.8 !g in the diagonal
!
! 2 vs 4
!
!assign (resid   2 and name   HN) (resid   4 and name   HN) 2.7 0.9 0.1 !n !; 2.7 !g does not exist in my asg
!
! 3 vs 5 e 4 vs 6
!
!
! 5 vs 7
!
assign (resid   5 and name   HA) (resid   7 and name   HN) 6.0 4.2 0.0 !? 2.3 !< !g in a crowded region
!
! 6 vs 8
!
!assign (resid   8 and name   HN) (resid   6 and name   HA) 6.0 4.2 0.0 !2.7 0.9 0.1 !! !< 6.0 !g not well defined
!
! 7 vs 9
!
assign (resid   9 and name   HN) (resid   7 and name   HA) 6.0 4.2 0.0 !? 2.5 !. 6.0
!assign (resid   9 and name   HA) (resid   7 and name   HN) 6.0 4.2 0.0 !: only on noe250_set1_m !f
!
! 9 vs 11
!
assign (resid   9 and name   HA) (resid  11 and name   HN) 6.0 4.2 0.0 !? 2.3 !. 6.0
!
! 10 vs 12
!
assign (resid  12 and name   HN) (resid  10 and name  HA2) 6.0 4.2 0.0 !? 2.3
assign (resid  10 and name   HN) (resid  12 and name   HN) 6.0 4.2 0.0 !2.1 0.3 0.7 !n !g crowded region
!
! 11 vs 13
!
assign (resid  13 and name   HN) (resid  11 and name   HA) 6.0 4.2 0.0 !? 2.6 !g very low peak
!
! 14 vs 16
!
assign (resid  16 and name   HN) (resid  14 and name   HA) 2.8 1.0 1.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.7 !. 2.6 !e !g
assign (resid  16 and name   HN) (resid  14 and name   HN) 6.0 4.2 0.0 !2.6 0.8 0.2 !< !g low and crowded region
! 
! 17 vs 19
!
assign (resid  17 and name   HA) (resid  19 and name   HN) 3.1 1.3 0.7
!
! 18 vs 20
!
assign (resid  18 and name   HA) (resid  20 and name   HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !< !g low and crowded
assign (resid  18 and name   HN) (resid  20 and name   HN) 6.0 4.2 0.0 !2.0 0.2 0.8 !n !; 2.0 !g crowded & in the diagonal
!
! 19 vs 21
!
assign (resid  19 and name   HA) (resid  21 and name   HN) 6.0 4.2 0.0 !? 2.2 !:
!assign (resid  19 and name   HN) (resid  21 and name   HA) 6.0 4.2 0.0 !: only in noe250_set1_m !f
!
! 22 vs 24
!
assign (resid  24 and name   HN) (resid  22 and name   HA) 6.0 4.2 0.0 !3.3 1.5 0.5 !3.8 2.0 1.2 !< !. 3.3 !; 3.3 !e !g very low
!
! 23 vs 25
!
assign (resid  23 and name   HA) (resid  25 and name   HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !< !. 2.3 !: !; 2.3 !g
!
! restraints inter-residue (i, i+3)
!
!
! 1 vs 4
!
assign (resid   1 and name   HA) (resid   4 and name  HB2) 6.0 4.2 0.0 !? 2.1  !. 6.0 !; 6.0
assign (resid   1 and name   HA) (resid   4 and name  HB1) 2.1 0.3 0.7 !< !. 2.4
assign (resid   1 and name   HA) (resid   4 and name   HN) 6.0 4.2 0.0 !? 2.4 !!
!
! 2 vs 5
!
assign (resid   5 and name   HN) (resid   2 and name   HA) 6.0 4.2 0.0 !2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.5 !. 2.4 !; 2.4 !e
!continuation from last line : !h low & crowded
assign (resid   5 and name   HB) (resid   2 and name   HA) 2.4 0.6 0.4 !< !. 2.3
!assign (resid   5 and name HG12) (resid   2 and name  HB#) 2.8 1.0 1.0 !< !f
!assign (resid   5 and name HD1#) (resid   2 and name   HA) 2.5 0.7 0.3 !n !; 2.5 !f
!
! 3 vs 6
!
!assign (resid   3 and name   HA) (resid   6 and name HD1#) 2.5 0.7 0.3 !< !. 3.3 !; 3.3 !f
assign (resid   3 and name   HA) (resid   6 and name   HB) 2.4 0.6 0.4 !< !. 2.4 !; 2.4
assign (resid   6 and name   HN) (resid   3 and name   HA) 6.0 4.2 0.0 !? 2.4 !. 6.0 !; 6.0
!assign (resid   3 and name   HA) (resid   6 and name   HA) 3.0 1.2 0.8 !n !; 3.0 !f
!assign (resid   6 and name   HA) (resid   3 and name  HG2) 3.0 1.2 0.8 !n !; 3.0 !f
!
! 4 vs 7
!
assign (resid   4 and name   HA) (resid   7 and name   HN) 6.0 4.2 0.0 !? 2.6
assign (resid   7 and name  HB1) (resid   4 and name   HA) 2.5 0.7 0.3 !< 2.5 !. 2.5
!assign (resid   4 and name   HA) (resid   7 and name  HB#) 2.6 0.8 0.2 !n !f redundancy
assign (resid   4 and name   HA) (resid   7 and name  HB2) 2.3 0.5 0.5 !n !; 2.3
!
! 5 vs 8
!
assign (resid   5 and name   HA) (resid   8 and name   HB) 2.4 0.6 0.4 !< 2.3 !. 2.2 !; 2.2
assign (resid   8 and name   HN) (resid   5 and name   HA) 2.8 1.0 1.0 !2.7 0.9 0.1 !n !; 2.7 !g low and super-positioned
!
! 7 vs 10
!
!assign (resid   7 and name  HB1) (resid  10 and name  HA2) 2.8 1.0 1.0 !f
assign (resid  10 and name   HN) (resid   7 and name   HA) 2.9 1.1 0.9 !< !; 2.8
!assign (resid  10 and name  HA1) (resid   7 and name   HA) 6.0 4.2 0.0 !n !f
!
! 8 vs 11
!
assign (resid   8 and name   HA) (resid  11 and name   HN) 2.8 1.0 1.0 !2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.3 !< !. 2.3 !; 2.5 !e !h
assign (resid   8 and name   HA) (resid  11 and name  HB2) 2.2 0.4 0.6 !< !. 4.6 !; 3.4
assign (resid  11 and name  HB1) (resid   8 and name   HA) 2.6 0.8 0.2 !< 2.3 !. 2.7 !; 2.5
!assign (resid   8 and name   HN) (resid  11 and name  HB2) 4.0 2.2 1.0 !n !f
!assign (resid  11 and name   HN) (resid   8 and name   HN) 3.4 1.6 0.4 !n !; 3.4 !f
!
! 9 vs 12
!
assign (resid   9 and name   HA) (resid  12 and name   HN) 6.0 4.2 0.0 !? 2.2 !. 6.0
assign (resid  12 and name  HB1) (resid   9 and name   HA) 2.6 0.8 0.2 !<
!assign (resid   9 and name   HN) (resid  12 and name   HA) 2.6 0.8 0.2 !n !; 2.6 !f
!
! 10 vs 13
!
assign (resid  10 and name  HA1) (resid  13 and name   HB) 3.0 1.2 0.8 !< !. 3.3
assign (resid  10 and name  HA1) (resid  13 and name   HN) 6.0 4.2 0.0 !? 2.2 !. 6.0
assign (resid  13 and name   HN) (resid  10 and name  HA2) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.2 !. 2.2 !e
!assign (resid  13 and name HG2#) (resid  10 and name  HA2) 2.8 1.0 1.0 !f !j
assign (resid  13 and name   HB) (resid  10 and name  HA2) 2.4 0.6 0.4 !. 2.4 !; 2.4
!
! 11 vs 14
!
assign (resid  14 and name  HB#) (resid  11 and name   HA) 2.3 0.5 0.5 !< !. 2.6 !; 2.6
assign (resid  11 and name   HA) (resid  14 and name   HN) 6.0 4.2 0.0 !! !. 6.0
!assign (resid  14 and name  HD#) (resid  11 and name   HA) 3.4 1.6 0.4 !n !; 3.4 !f
!assign (resid  14 and name   HA) (resid  11 and name   HA) 2.8 1.0 1.0 !n !; 2.8 !f
!
! 12 vs 15
!
assign (resid  12 and name   HA) (resid  15 and name  HB2) 2.4 0.6 0.4 !. 2.2 !; 2.2
assign (resid  12 and name   HA) (resid  15 and name   HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !. 6.0 !; 6.0 !h
assign (resid  15 and name  HB1) (resid  12 and name   HA) 2.3 0.5 0.5 !< !. 2.2 !; 2.2
!assign (resid  15 and name  HD1) (resid  12 and name   HA) 3.0 1.2 0.8 !n !; 3.0 !f
!
! 13 vs 16
!
assign (resid  13 and name   HA) (resid  16 and name   HB) 6.0 4.2 0.0 !? 2.1 !. 6.0 !:
!
! 14 vs 17
!
!assign (resid  14 and name   HA) (resid  17 and name HD1#) 2.7 0.9 0.1 !< !f
assign (resid  17 and name   HN) (resid  14 and name   HA) 6.0 4.2 0.0 !2.6 0.8 0.2 !. 6.0 !h
assign (resid  14 and name   HA) (resid  17 and name   HB) 6.0 4.2 0.0 !n
!
! 15 vs 18
!
assign (resid  15 and name   HA) (resid  18 and name   HN) 2.8 1.0 1.0 !2.5 0.8 0.3 !6.0 4.2 0.0 !? 2.5 !. 2.5 !; 6.0 !h
assign (resid  15 and name   HA) (resid  18 and name  HB1) 2.1 0.3 0.7 !< !. 2.6 !; 2.3
!assign (resid  18 and name   HA) (resid  15 and name  HB2) 2.8 1.0 1.0 !n !; 2.8 !f
!
! 16 vs 19
!
assign (resid  16 and name   HA) (resid  19 and name   HB) 2.5 0.7 0.3 !< 2.4 !. 2.5 !; 2.5
assign (resid  19 and name   HN) (resid  16 and name   HA) 3.1 1.3 0.7 !. 3.2 !; 3.2
!
! 17 vs 20
!
assign (resid  17 and name   HA) (resid  20 and name   HN) 2.8 1.0 1.0 !2.7 0.9 0.1 !6.0 4.2 0.0 !? 2.7 !. 2.7 !; 6.0 !e !h
assign (resid  17 and name   HA) (resid  20 and name   HB) 6.0 4.2 0.0 !? 2.0 !. 6.0
!assign (resid  17 and name   HN) (resid  20 and name HG2#) 3.4 1.6 0.4 !n !; 3.4 !f !j
!assign (resid  17 and name   HA) (resid  20 and name HG2#) 2.8 1.0 1.0 !n !; 2.8 !f !j
!
! 18 vs 21
!
assign (resid  21 and name  HB1) (resid  18 and name   HA) 2.7 0.9 0.1 !< 2.2 !. 2.7 !; 2.5
assign (resid  18 and name   HA) (resid  21 and name  HB2) 6.0 4.2 0.0 !n !; 6.0
assign (resid  21 and name   HN) (resid  18 and name   HA) 6.0 4.2 0.0 !n
!
! 19 vs 22
!
assign (resid  19 and name   HA) (resid  22 and name  HB2) 2.5 0.7 0.3 !. 6.0
assign (resid  22 and name  HB1) (resid  19 and name   HA) 6.0 4.2 0.0 !? 2.4
!assign (resid  22 and name  HG#) (resid  19 and name   HB) 2.8 1.0 1.0 !< !f
assign (resid  22 and name   HN) (resid  19 and name   HA) 6.0 4.2 0.0 !!
!
! 20 vs 23
!
assign (resid  20 and name   HA) (resid  23 and name   HN) 6.0 4.2 0.0 !? 2.5
assign (resid  20 and name   HA) (resid  23 and name  HB2) 2.6 0.8 0.2 !< !. 3.4 !; 3.4
!assign (resid  20 and name   HA) (resid  23 and name  HD#) 3.0 1.2 0.8 !n !; 3.0 !f
!
! 22 vs 25
!
assign (resid  22 and name   HA) (resid  25 and name   HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !. 2.6 !; 2.6 !h very low
!
! restraints inter-residue (i, i+4)
!
!
! 2 vs 6
!
assign (resid   6 and name   HN) (resid   2 and name   HA) 6.0 4.2 0.0 !? 2.3 !crowded
!
! 6 vs 10
!
assign (resid   6 and name   HA) (resid  10 and name   HN) 6.0 4.2 0.0 !? 2.3
!
! 7 vs 11
!
assign (resid  11 and name   HN) (resid   7 and name   HA) 6.0 4.2 0.0 !2.8 1.0 1.0 !n !. 2.8 !h low
!
! 8 vs 12
!
assign (resid   8 and name   HA) (resid  12 and name   HN) 6.0 4.2 0.0 !? 2.3
!
! 9 vs 13
!
!assign (resid   9 and name   HA) (resid  13 and name   HB) 6.0 4.2 0.0 !? 2.7 !f
assign (resid   9 and name   HA) (resid  13 and name   HN) 6.0 4.2 0.0 !2.3 0.5 0.5 !n !h low and crowded
!
! 12 vs 16
!
assign (resid  12 and name   HA) (resid  16 and name   HN) 2.8 1.0 1.0 !2.6 0.8 0.2 !3.2 1.4 0.6 !< 3.1 !. 2.6 !; 2.6 !e
! !h spite is well defined, is low, going to open a little the boundaries 
!
! 14 vs 18
!
assign (resid  14 and name   HA) (resid  18 and name   HN) 6.0 4.2 0.0 !2.8 1.0 1.0 !. 6.0 !; 6.0 !h low, crowded
!
! 16 vs 20
!
assign (resid  16 and name   HA) (resid  20 and name   HN) 6.0 4.2 0.0 !? 2.7 !. 6.0
!
! 17 vs 21
!
assign (resid  21 and name   HN) (resid  17 and name   HA) 3.0 1.2 0.8 !< !; 3.4
! end of distance restraints
! 3-bond J-coupling data non-gly residues
! based on tabela 3-d tese Lic. Carla
! determinado by the method of Kim-Prestgard
! were converted to dihedrals
! if J3 Hn-Ha < 6 and in helical region:
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1  -60.0   30.0  2
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1  -60.0   30.0  2
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1  -60.0   30.0  2 
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1  -60.0   30.0  2
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1  -60.0   30.0  2
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1  -60.0   30.0  2
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1  -60.0   30.0  2
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1  -60.0   30.0  2
! Gly10
 assign (resid  10 and name c )   (resid   11 and name n ) 
        (resid  11 and name ca)   (resid   11 and name c )  1  -60.0   30.0  2
 assign (resid  11 and name c )   (resid   12 and name n ) 
        (resid  12 and name ca)   (resid   12 and name c )  1  -60.0   30.0  2
 assign (resid  12 and name c )   (resid   13 and name n ) 
        (resid  13 and name ca)   (resid   13 and name c )  1  -60.0   30.0  2
 assign (resid  13 and name c )   (resid   14 and name n ) 
        (resid  14 and name ca)   (resid   14 and name c )  1  -60.0   30.0  2
 assign (resid  14 and name c )   (resid   15 and name n ) 
        (resid  15 and name ca)   (resid   15 and name c )  1  -60.0   30.0  2
 assign (resid  15 and name c )   (resid   16 and name n ) 
        (resid  16 and name ca)   (resid   16 and name c )  1  -60.0   30.0  2
 assign (resid  16 and name c )   (resid   17 and name n ) 
        (resid  17 and name ca)   (resid   17 and name c )  1  -60.0   30.0  2
 assign (resid  17 and name c )   (resid   18 and name n ) 
        (resid  18 and name ca)   (resid   18 and name c )  1  -60.0   30.0  2
 assign (resid  18 and name c )   (resid   19 and name n ) 
        (resid  19 and name ca)   (resid   19 and name c )  1  -60.0   30.0  2
 assign (resid  19 and name c )   (resid   20 and name n ) 
        (resid  20 and name ca)   (resid   20 and name c )  1  -60.0   30.0  2
 assign (resid  20 and name c )   (resid   21 and name n ) 
        (resid  21 and name ca)   (resid   21 and name c )  1  -60.0   30.0  2
 assign (resid  21 and name c )   (resid   22 and name n ) 
        (resid  22 and name ca)   (resid   22 and name c )  1  -60.0   30.0  2
 
! Values < 7.5 but not helix.
! assign (resid  22 and name c )   (resid   23 and name n ) 
!        (resid  23 and name ca)   (resid   23 and name c )  1  60.0   150.0  2
! assign (resid  23 and name c )   (resid   24 and name n ) 
!        (resid  24 and name ca)   (resid   24 and name c )  1 60.0   150.0  2
! assign (resid  24 and name c )   (resid   25 and name n ) 
!        (resid  25 and name ca)   (resid   25 and name c )  1 60.0   150.0  2
! assign (resid  25 and name c )   (resid   26 and name n ) 
!        (resid  26 and name ca)   (resid   26 and name c )  1 60.0   150.0  2

!## chi1 dihedrals for Val residues

  !! Val 13
assign (resid 13 and name n)    (resid 13 and name ca)
       (resid 13 and name cb)   (resid 13 and name cg1) 1.0 180.0 30.0 2
  !! Val 20
assign (resid 20 and name n)    (resid 13 and name ca)
       (resid 20 and name cb)   (resid 13 and name cg1) 1.0 180.0 30.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   FME   1           HN       FME   1  11.339  13.945  10.994
    2    HCN  FME   1           HCN      FME   1  10.639  13.169  13.321
    3    HA   FME   1           HA       FME   1  13.351  11.933  11.592
    4    HB2  FME   1           HB2      FME   1  10.863  11.219  10.028
    5    HB3  FME   1           HB1      FME   1  12.218  10.152  10.393
    6    HG2  FME   1           HG2      FME   1  11.701  10.670  12.878
    7    HG3  FME   1           HG1      FME   1  10.153  11.272  12.285
    8    HE1  FME   1           HE1      FME   1   8.790   8.039  13.581
    9    HE2  FME   1           HE2      FME   1   8.826   9.801  13.598
   10    HE3  FME   1           HE3      FME   1  10.125   8.894  14.368
   11    H    ALA   2           HN       ALA   2  13.221  14.533  10.241
   12    HA   ALA   2           HA       ALA   2  13.219  14.283   7.442
   13    HB1  ALA   2           HB1      ALA   2  14.984  16.161   9.026
   14    HB2  ALA   2           HB2      ALA   2  13.261  16.437   8.773
   15    HB3  ALA   2           HB3      ALA   2  14.357  16.391   7.393
   16    H    GLN   3           HN       GLN   3  15.913  14.079   9.762
   17    HA   GLN   3           HA       GLN   3  17.919  13.513   7.852
   18    HB2  GLN   3           HB2      GLN   3  17.649  13.105  10.807
   19    HB3  GLN   3           HB1      GLN   3  19.050  12.487   9.960
   20    HG2  GLN   3           HG2      GLN   3  18.134  15.356   9.825
   21    HG3  GLN   3           HG1      GLN   3  19.375  14.782  10.930
   22   HE21  GLN   3          HE21      GLN   3  19.148  16.400   8.106
   23   HE22  GLN   3          HE22      GLN   3  20.540  15.836   7.314
   24    H    ASP   4           HN       ASP   4  16.183  11.395  10.082
   25    HA   ASP   4           HA       ASP   4  17.209   8.952   9.233
   26    HB2  ASP   4           HB2      ASP   4  15.921   9.185  11.273
   27    HB3  ASP   4           HB1      ASP   4  14.485   9.594  10.341
   28    H    ILE   5           HN       ILE   5  14.319  10.680   8.078
   29    HA   ILE   5           HA       ILE   5  13.491   8.695   6.251
   30    HB   ILE   5           HB       ILE   5  13.048  11.669   6.331
   31   HG12  ILE   5          HG12      ILE   5  12.055   9.948   8.066
   32   HG13  ILE   5          HG11      ILE   5  11.015  11.196   7.389
   33   HG21  ILE   5          HG21      ILE   5  11.135  11.087   4.696
   34   HG22  ILE   5          HG22      ILE   5  12.044   9.612   4.370
   35   HG23  ILE   5          HG23      ILE   5  12.768  11.184   4.037
   36   HD11  ILE   5          HD11      ILE   5   9.909   9.683   5.975
   37   HD12  ILE   5          HD12      ILE   5  10.154   8.734   7.439
   38   HD13  ILE   5          HD13      ILE   5  11.212   8.499   6.051
   39    H    ILE   6           HN       ILE   6  15.604  11.514   5.889
   40    HA   ILE   6           HA       ILE   6  16.118  11.090   3.111
   41    HB   ILE   6           HB       ILE   6  17.588  12.659   5.238
   42   HG12  ILE   6          HG12      ILE   6  15.969  13.621   2.869
   43   HG13  ILE   6          HG11      ILE   6  15.246  13.333   4.452
   44   HG21  ILE   6          HG21      ILE   6  18.657  13.757   3.185
   45   HG22  ILE   6          HG22      ILE   6  18.095  12.358   2.270
   46   HG23  ILE   6          HG23      ILE   6  19.243  12.143   3.592
   47   HD11  ILE   6          HD11      ILE   6  17.590  15.189   3.940
   48   HD12  ILE   6          HD12      ILE   6  16.758  14.955   5.477
   49   HD13  ILE   6          HD13      ILE   6  15.917  15.714   4.125
   50    H    SER   7           HN       SER   7  17.539   9.975   6.112
   51    HA   SER   7           HA       SER   7  19.897   8.841   4.961
   52    HB2  SER   7           HB2      SER   7  19.419   9.439   7.444
   53    HB3  SER   7           HB1      SER   7  18.647   7.861   7.506
   54    HG   SER   7           HG       SER   7  20.719   7.144   6.464
   55    H    THR   8           HN       THR   8  16.654   7.679   5.630
   56    HA   THR   8           HA       THR   8  17.074   4.926   5.296
   57    HB   THR   8           HB       THR   8  14.621   6.588   4.765
   58    HG1  THR   8           HG1      THR   8  14.320   5.258   6.918
   59   HG21  THR   8          HG21      THR   8  15.020   3.603   5.027
   60   HG22  THR   8          HG22      THR   8  14.323   4.475   3.663
   61   HG23  THR   8          HG23      THR   8  13.448   4.386   5.190
   62    H    ILE   9           HN       ILE   9  16.082   7.367   2.889
   63    HA   ILE   9           HA       ILE   9  15.775   5.582   0.733
   64    HB   ILE   9           HB       ILE   9  16.310   7.691  -0.661
   65   HG12  ILE   9          HG12      ILE   9  16.285   8.894   2.102
   66   HG13  ILE   9          HG11      ILE   9  17.643   8.891   0.983
   67   HG21  ILE   9          HG21      ILE   9  14.012   6.878   0.011
   68   HG22  ILE   9          HG22      ILE   9  14.120   8.618  -0.224
   69   HG23  ILE   9          HG23      ILE   9  14.118   7.950   1.407
   70   HD11  ILE   9          HD11      ILE   9  16.102  10.112  -0.650
   71   HD12  ILE   9          HD12      ILE   9  16.657  11.034   0.748
   72   HD13  ILE   9          HD13      ILE   9  15.025  10.365   0.723
   73    H    GLY  10           HN       GLY  10  18.560   7.563   1.633
   74    HA2  GLY  10           HA2      GLY  10  20.290   6.596  -0.373
   75    HA3  GLY  10           HA1      GLY  10  20.809   7.352   1.138
   76    H    ASP  11           HN       ASP  11  19.496   5.406   2.851
   77    HA   ASP  11           HA       ASP  11  21.550   3.511   3.118
   78    HB2  ASP  11           HB2      ASP  11  19.785   4.157   4.854
   79    HB3  ASP  11           HB1      ASP  11  18.699   3.075   3.989
   80    H    LEU  12           HN       LEU  12  18.365   3.338   1.613
   81    HA   LEU  12           HA       LEU  12  18.504   0.661   0.725
   82    HB2  LEU  12           HB2      LEU  12  16.388   1.858   0.828
   83    HB3  LEU  12           HB1      LEU  12  16.946   3.031  -0.364
   84    HG   LEU  12           HG       LEU  12  17.110   1.241  -2.060
   85   HD11  LEU  12          HD11      LEU  12  15.959  -1.001  -1.329
   86   HD12  LEU  12          HD12      LEU  12  16.390  -0.491   0.303
   87   HD13  LEU  12          HD13      LEU  12  17.648  -0.735  -0.907
   88   HD21  LEU  12          HD21      LEU  12  14.464   1.291  -0.576
   89   HD22  LEU  12          HD22      LEU  12  14.680   0.731  -2.233
   90   HD23  LEU  12          HD23      LEU  12  14.976   2.422  -1.829
   91    H    VAL  13           HN       VAL  13  19.570   3.729  -0.736
   92    HA   VAL  13           HA       VAL  13  20.158   2.718  -3.292
   93    HB   VAL  13           HB       VAL  13  21.454   4.933  -1.716
   94   HG11  VAL  13          HG11      VAL  13  22.174   5.701  -4.041
   95   HG12  VAL  13          HG12      VAL  13  21.789   4.069  -4.586
   96   HG13  VAL  13          HG13      VAL  13  23.047   4.320  -3.377
   97   HG21  VAL  13          HG21      VAL  13  19.491   5.070  -4.010
   98   HG22  VAL  13          HG22      VAL  13  20.015   6.392  -2.968
   99   HG23  VAL  13          HG23      VAL  13  19.000   5.105  -2.317
  100    H    LYS  14           HN       LYS  14  22.178   2.999  -0.378
  101    HA   LYS  14           HA       LYS  14  24.453   1.758  -1.541
  102    HB2  LYS  14           HB2      LYS  14  23.618   2.424   1.275
  103    HB3  LYS  14           HB1      LYS  14  25.037   1.410   1.000
  104    HG2  LYS  14           HG2      LYS  14  25.880   3.628   1.136
  105    HG3  LYS  14           HG1      LYS  14  25.863   3.270  -0.587
  106    HD2  LYS  14           HD2      LYS  14  23.699   4.442  -0.807
  107    HD3  LYS  14           HD1      LYS  14  23.718   4.792   0.921
  108    HE2  LYS  14           HE2      LYS  14  25.790   6.083   0.651
  109    HE3  LYS  14           HE1      LYS  14  25.805   5.711  -1.075
  110    HZ1  LYS  14           HZ1      LYS  14  24.849   7.880  -0.681
  111    HZ2  LYS  14           HZ2      LYS  14  23.690   7.217   0.369
  112    HZ3  LYS  14           HZ3      LYS  14  23.663   6.829  -1.285
  113    H    TRP  15           HN       TRP  15  21.807   0.534   0.487
  114    HA   TRP  15           HA       TRP  15  22.739  -2.057   0.824
  115    HB2  TRP  15           HB2      TRP  15  20.325  -0.554   1.236
  116    HB3  TRP  15           HB1      TRP  15  19.910  -2.126   0.632
  117    HD1  TRP  15           HD1      TRP  15  22.044  -0.479   3.334
  118    HE1  TRP  15           HE1      TRP  15  22.129  -2.047   5.396
  119    HE3  TRP  15           HE3      TRP  15  19.542  -4.437   1.456
  120    HZ2  TRP  15           HZ2      TRP  15  21.232  -4.687   6.121
  121    HZ3  TRP  15           HZ3      TRP  15  19.157  -6.487   2.813
  122    HH2  TRP  15           HH2      TRP  15  20.003  -6.615   5.145
  123    H    ILE  16           HN       ILE  16  21.131  -0.520  -1.900
  124    HA   ILE  16           HA       ILE  16  20.447  -2.895  -3.287
  125    HB   ILE  16           HB       ILE  16  20.890  -0.048  -4.122
  126   HG12  ILE  16          HG12      ILE  16  18.769  -1.021  -2.932
  127   HG13  ILE  16          HG11      ILE  16  18.557   0.054  -4.307
  128   HG21  ILE  16          HG21      ILE  16  19.941  -0.833  -6.397
  129   HG22  ILE  16          HG22      ILE  16  20.481  -2.441  -5.912
  130   HG23  ILE  16          HG23      ILE  16  21.651  -1.133  -6.081
  131   HD11  ILE  16          HD11      ILE  16  17.891  -1.668  -5.727
  132   HD12  ILE  16          HD12      ILE  16  17.217  -2.217  -4.194
  133   HD13  ILE  16          HD13      ILE  16  18.721  -2.911  -4.795
  134    H    ILE  17           HN       ILE  17  23.304  -0.808  -3.389
  135    HA   ILE  17           HA       ILE  17  24.690  -2.258  -5.375
  136    HB   ILE  17           HB       ILE  17  25.680  -0.493  -3.146
  137   HG12  ILE  17          HG12      ILE  17  25.490   0.060  -6.114
  138   HG13  ILE  17          HG11      ILE  17  24.200   0.474  -4.980
  139   HG21  ILE  17          HG21      ILE  17  27.536  -1.876  -3.759
  140   HG22  ILE  17          HG22      ILE  17  27.754  -0.354  -4.624
  141   HG23  ILE  17          HG23      ILE  17  27.130  -1.769  -5.471
  142   HD11  ILE  17          HD11      ILE  17  25.640   2.419  -5.300
  143   HD12  ILE  17          HD12      ILE  17  27.065   1.466  -4.886
  144   HD13  ILE  17          HD13      ILE  17  25.845   1.807  -3.659
  145    H    ASP  18           HN       ASP  18  24.643  -2.452  -1.870
  146    HA   ASP  18           HA       ASP  18  26.640  -4.392  -1.532
  147    HB2  ASP  18           HB2      ASP  18  25.472  -2.991   0.251
  148    HB3  ASP  18           HB1      ASP  18  24.142  -4.145   0.152
  149    H    THR  19           HN       THR  19  23.239  -4.623  -2.391
  150    HA   THR  19           HA       THR  19  23.024  -7.449  -2.050
  151    HB   THR  19           HB       THR  19  21.366  -5.556  -3.702
  152    HG1  THR  19           HG1      THR  19  20.162  -6.511  -1.551
  153   HG21  THR  19          HG21      THR  19  20.932  -7.726  -4.551
  154   HG22  THR  19          HG22      THR  19  19.656  -7.449  -3.366
  155   HG23  THR  19          HG23      THR  19  21.041  -8.458  -2.950
  156    H    VAL  20           HN       VAL  20  23.545  -5.377  -4.889
  157    HA   VAL  20           HA       VAL  20  23.669  -7.475  -6.778
  158    HB   VAL  20           HB       VAL  20  24.873  -4.716  -6.831
  159   HG11  VAL  20          HG11      VAL  20  24.640  -6.866  -8.942
  160   HG12  VAL  20          HG12      VAL  20  26.093  -6.009  -8.427
  161   HG13  VAL  20          HG13      VAL  20  24.850  -5.164  -9.350
  162   HG21  VAL  20          HG21      VAL  20  22.359  -4.951  -6.678
  163   HG22  VAL  20          HG22      VAL  20  22.416  -5.816  -8.214
  164   HG23  VAL  20          HG23      VAL  20  22.927  -4.130  -8.132
  165    H    ASN  21           HN       ASN  21  26.127  -5.801  -4.881
  166    HA   ASN  21           HA       ASN  21  28.399  -7.042  -5.972
  167    HB2  ASN  21           HB2      ASN  21  28.501  -5.074  -4.513
  168    HB3  ASN  21           HB1      ASN  21  27.950  -6.058  -3.165
  169   HD21  ASN  21          HD21      ASN  21  30.652  -4.654  -3.920
  170   HD22  ASN  21          HD22      ASN  21  31.800  -5.864  -3.587
  171    H    LYS  22           HN       LYS  22  26.263  -7.979  -3.308
  172    HA   LYS  22           HA       LYS  22  27.784 -10.382  -2.742
  173    HB2  LYS  22           HB2      LYS  22  25.183  -9.310  -1.688
  174    HB3  LYS  22           HB1      LYS  22  25.862 -10.855  -1.175
  175    HG2  LYS  22           HG2      LYS  22  27.978  -9.610  -0.554
  176    HG3  LYS  22           HG1      LYS  22  27.106  -8.108  -0.855
  177    HD2  LYS  22           HD2      LYS  22  26.164 -10.240   1.081
  178    HD3  LYS  22           HD1      LYS  22  27.111  -8.835   1.563
  179    HE2  LYS  22           HE2      LYS  22  25.282  -7.420   0.437
  180    HE3  LYS  22           HE1      LYS  22  24.315  -8.894   0.421
  181    HZ1  LYS  22           HZ1      LYS  22  23.924  -8.731   2.585
  182    HZ2  LYS  22           HZ2      LYS  22  24.538  -7.149   2.500
  183    HZ3  LYS  22           HZ3      LYS  22  25.552  -8.433   2.953
  184    H    PHE  23           HN       PHE  23  25.317  -9.484  -4.917
  185    HA   PHE  23           HA       PHE  23  23.827 -11.861  -5.097
  186    HB2  PHE  23           HB2      PHE  23  23.180  -9.723  -6.169
  187    HB3  PHE  23           HB1      PHE  23  24.488  -9.953  -7.329
  188    HD1  PHE  23           HD1      PHE  23  21.374 -11.515  -6.002
  189    HD2  PHE  23           HD2      PHE  23  24.215 -11.366  -9.221
  190    HE1  PHE  23           HE1      PHE  23  19.908 -12.981  -7.363
  191    HE2  PHE  23           HE2      PHE  23  22.749 -12.831 -10.582
  192    HZ   PHE  23           HZ       PHE  23  20.596 -13.640  -9.653
  193    H    THR  24           HN       THR  24  26.762 -10.829  -6.802
  194    HA   THR  24           HA       THR  24  27.033 -13.515  -7.994
  195    HB   THR  24           HB       THR  24  27.278 -11.736  -9.597
  196    HG1  THR  24           HG1      THR  24  29.574 -13.076  -8.742
  197   HG21  THR  24          HG21      THR  24  29.327 -10.592  -7.676
  198   HG22  THR  24          HG22      THR  24  27.738  -9.908  -8.023
  199   HG23  THR  24          HG23      THR  24  28.971  -9.954  -9.283
  200    H    LYS  25           HN       LYS  25  27.452 -13.048  -5.177
  201    HA   LYS  25           HA       LYS  25  30.166 -12.798  -4.496
  202    HB2  LYS  25           HB2      LYS  25  28.301 -12.656  -2.876
  203    HB3  LYS  25           HB1      LYS  25  28.008 -14.377  -3.077
  204    HG2  LYS  25           HG2      LYS  25  29.311 -14.108  -1.077
  205    HG3  LYS  25           HG1      LYS  25  30.390 -14.773  -2.296
  206    HD2  LYS  25           HD2      LYS  25  31.443 -12.670  -2.660
  207    HD3  LYS  25           HD1      LYS  25  30.176 -11.796  -1.808
  208    HE2  LYS  25           HE2      LYS  25  32.103 -11.953  -0.351
  209    HE3  LYS  25           HE1      LYS  25  30.854 -13.020   0.287
  210    HZ1  LYS  25           HZ1      LYS  25  31.969 -14.887  -0.401
  211    HZ2  LYS  25           HZ2      LYS  25  33.270 -13.874   0.008
  212    HZ3  LYS  25           HZ3      LYS  25  32.825 -14.075  -1.620
  213    H    LYS  26           HN       LYS  26  28.185 -15.662  -5.199
  214    HA   LYS  26           HA       LYS  26  29.931 -17.701  -4.643
  215    HB2  LYS  26           HB2      LYS  26  28.048 -17.423  -6.994
  216    HB3  LYS  26           HB1      LYS  26  28.863 -18.928  -6.560
  217    HG2  LYS  26           HG2      LYS  26  27.816 -18.860  -4.337
  218    HG3  LYS  26           HG1      LYS  26  27.020 -17.341  -4.751
  219    HD2  LYS  26           HD2      LYS  26  25.849 -18.469  -6.615
  220    HD3  LYS  26           HD1      LYS  26  26.623 -19.990  -6.171
  221    HE2  LYS  26           HE2      LYS  26  25.565 -19.891  -3.952
  222    HE3  LYS  26           HE1      LYS  26  24.800 -18.362  -4.383
  223    HZ1  LYS  26           HZ1      LYS  26  23.882 -20.944  -4.899
  224    HZ2  LYS  26           HZ2      LYS  26  24.273 -20.244  -6.396
  225    HZ3  LYS  26           HZ3      LYS  26  23.172 -19.473  -5.358
  Start of MODEL    2
    1    H1   FME   1           HN       FME   1  10.814  12.796  12.008
    2    HCN  FME   1           HCN      FME   1  11.872  14.771  12.814
    3    HA   FME   1           HA       FME   1  13.399  11.577  11.797
    4    HB2  FME   1           HB2      FME   1  10.813  10.842  10.408
    5    HB3  FME   1           HB1      FME   1  12.240   9.816  10.571
    6    HG2  FME   1           HG2      FME   1  11.999   9.804  13.002
    7    HG3  FME   1           HG1      FME   1  10.636  10.919  12.897
    8    HE1  FME   1           HE1      FME   1  10.159   8.605  14.555
    9    HE2  FME   1           HE2      FME   1   8.691   7.845  13.949
   10    HE3  FME   1           HE3      FME   1   8.798   9.600  14.021
   11    H    ALA   2           HN       ALA   2  12.931  14.236  10.521
   12    HA   ALA   2           HA       ALA   2  12.832  14.026   7.724
   13    HB1  ALA   2           HB1      ALA   2  13.711  16.234   7.660
   14    HB2  ALA   2           HB2      ALA   2  14.527  16.036   9.210
   15    HB3  ALA   2           HB3      ALA   2  12.768  16.149   9.148
   16    H    GLN   3           HN       GLN   3  15.628  14.013   9.927
   17    HA   GLN   3           HA       GLN   3  17.600  13.674   7.929
   18    HB2  GLN   3           HB2      GLN   3  17.501  13.086  10.865
   19    HB3  GLN   3           HB1      GLN   3  18.924  12.733   9.916
   20    HG2  GLN   3           HG2      GLN   3  19.047  15.074   9.222
   21    HG3  GLN   3           HG1      GLN   3  17.593  15.427  10.144
   22   HE21  GLN   3          HE21      GLN   3  20.942  15.556  10.333
   23   HE22  GLN   3          HE22      GLN   3  21.109  15.551  12.022
   24    H    ASP   4           HN       ASP   4  16.135  11.338  10.142
   25    HA   ASP   4           HA       ASP   4  17.336   9.026   9.173
   26    HB2  ASP   4           HB2      ASP   4  16.092   9.053  11.251
   27    HB3  ASP   4           HB1      ASP   4  14.599   9.385  10.380
   28    H    ILE   5           HN       ILE   5  14.259  10.514   8.164
   29    HA   ILE   5           HA       ILE   5  13.574   8.536   6.272
   30    HB   ILE   5           HB       ILE   5  12.845  11.448   6.476
   31   HG12  ILE   5          HG12      ILE   5  11.135   8.993   6.900
   32   HG13  ILE   5          HG11      ILE   5  12.075   9.707   8.205
   33   HG21  ILE   5          HG21      ILE   5  11.939   9.330   4.514
   34   HG22  ILE   5          HG22      ILE   5  12.579  10.933   4.154
   35   HG23  ILE   5          HG23      ILE   5  10.975  10.763   4.869
   36   HD11  ILE   5          HD11      ILE   5  10.911  11.828   7.948
   37   HD12  ILE   5          HD12      ILE   5   9.715  10.544   8.121
   38   HD13  ILE   5          HD13      ILE   5  10.055  11.225   6.530
   39    H    ILE   6           HN       ILE   6  15.410  11.555   5.978
   40    HA   ILE   6           HA       ILE   6  15.891  11.294   3.173
   41    HB   ILE   6           HB       ILE   6  17.268  12.892   5.341
   42   HG12  ILE   6          HG12      ILE   6  15.512  13.823   3.057
   43   HG13  ILE   6          HG11      ILE   6  14.850  13.386   4.631
   44   HG21  ILE   6          HG21      ILE   6  18.180  14.177   3.321
   45   HG22  ILE   6          HG22      ILE   6  17.719  12.778   2.349
   46   HG23  ILE   6          HG23      ILE   6  18.916  12.605   3.634
   47   HD11  ILE   6          HD11      ILE   6  17.064  15.422   4.282
   48   HD12  ILE   6          HD12      ILE   6  16.107  15.112   5.731
   49   HD13  ILE   6          HD13      ILE   6  15.356  15.857   4.321
   50    H    SER   7           HN       SER   7  17.424  10.125   6.079
   51    HA   SER   7           HA       SER   7  19.857   9.250   4.811
   52    HB2  SER   7           HB2      SER   7  19.445   9.792   7.320
   53    HB3  SER   7           HB1      SER   7  18.817   8.152   7.399
   54    HG   SER   7           HG       SER   7  20.924   7.706   6.185
   55    H    THR   8           HN       THR   8  16.732   7.861   5.537
   56    HA   THR   8           HA       THR   8  17.314   5.142   5.250
   57    HB   THR   8           HB       THR   8  14.771   6.640   4.665
   58    HG1  THR   8           HG1      THR   8  15.094   5.079   6.912
   59   HG21  THR   8          HG21      THR   8  13.737   4.374   5.148
   60   HG22  THR   8          HG22      THR   8  15.357   3.695   4.997
   61   HG23  THR   8          HG23      THR   8  14.602   4.489   3.616
   62    H    ILE   9           HN       ILE   9  16.245   7.486   2.792
   63    HA   ILE   9           HA       ILE   9  15.951   5.697   0.657
   64    HB   ILE   9           HB       ILE   9  16.631   7.800  -0.739
   65   HG12  ILE   9          HG12      ILE   9  16.390   9.020   2.005
   66   HG13  ILE   9          HG11      ILE   9  17.874   8.918   1.067
   67   HG21  ILE   9          HG21      ILE   9  14.436   8.792  -0.372
   68   HG22  ILE   9          HG22      ILE   9  14.321   8.010   1.203
   69   HG23  ILE   9          HG23      ILE   9  14.292   7.039  -0.268
   70   HD11  ILE   9          HD11      ILE   9  16.621  10.177  -0.772
   71   HD12  ILE   9          HD12      ILE   9  17.041  11.104   0.669
   72   HD13  ILE   9          HD13      ILE   9  15.393  10.516   0.448
   73    H    GLY  10           HN       GLY  10  18.798   7.592   1.564
   74    HA2  GLY  10           HA2      GLY  10  20.516   6.540  -0.416
   75    HA3  GLY  10           HA1      GLY  10  21.046   7.290   1.095
   76    H    ASP  11           HN       ASP  11  19.695   5.429   2.845
   77    HA   ASP  11           HA       ASP  11  21.666   3.451   3.119
   78    HB2  ASP  11           HB2      ASP  11  19.951   4.178   4.864
   79    HB3  ASP  11           HB1      ASP  11  18.803   3.154   4.005
   80    H    LEU  12           HN       LEU  12  18.467   3.378   1.622
   81    HA   LEU  12           HA       LEU  12  18.519   0.683   0.755
   82    HB2  LEU  12           HB2      LEU  12  16.437   1.906   0.862
   83    HB3  LEU  12           HB1      LEU  12  17.009   3.093  -0.308
   84    HG   LEU  12           HG       LEU  12  17.147   0.246  -1.226
   85   HD11  LEU  12          HD11      LEU  12  14.681   0.296  -1.828
   86   HD12  LEU  12          HD12      LEU  12  14.507   1.628  -0.686
   87   HD13  LEU  12          HD13      LEU  12  15.032   0.044  -0.118
   88   HD21  LEU  12          HD21      LEU  12  17.575   2.432  -2.568
   89   HD22  LEU  12          HD22      LEU  12  15.822   2.596  -2.598
   90   HD23  LEU  12          HD23      LEU  12  16.590   1.185  -3.328
   91    H    VAL  13           HN       VAL  13  19.657   3.713  -0.744
   92    HA   VAL  13           HA       VAL  13  20.200   2.654  -3.290
   93    HB   VAL  13           HB       VAL  13  21.587   4.841  -1.756
   94   HG11  VAL  13          HG11      VAL  13  22.301   5.563  -4.090
   95   HG12  VAL  13          HG12      VAL  13  21.834   3.950  -4.628
   96   HG13  VAL  13          HG13      VAL  13  23.125   4.146  -3.442
   97   HG21  VAL  13          HG21      VAL  13  19.638   5.074  -4.046
   98   HG22  VAL  13          HG22      VAL  13  20.155   6.335  -2.926
   99   HG23  VAL  13          HG23      VAL  13  19.106   5.034  -2.365
  100    H    LYS  14           HN       LYS  14  22.254   2.901  -0.395
  101    HA   LYS  14           HA       LYS  14  24.474   1.574  -1.573
  102    HB2  LYS  14           HB2      LYS  14  23.697   2.361   1.219
  103    HB3  LYS  14           HB1      LYS  14  25.025   1.220   1.004
  104    HG2  LYS  14           HG2      LYS  14  25.903   3.503   1.095
  105    HG3  LYS  14           HG1      LYS  14  26.146   2.836  -0.518
  106    HD2  LYS  14           HD2      LYS  14  24.189   4.035  -1.350
  107    HD3  LYS  14           HD1      LYS  14  23.833   4.627   0.271
  108    HE2  LYS  14           HE2      LYS  14  24.972   6.396  -0.898
  109    HE3  LYS  14           HE1      LYS  14  26.108   5.724   0.275
  110    HZ1  LYS  14           HZ1      LYS  14  25.998   5.208  -2.642
  111    HZ2  LYS  14           HZ2      LYS  14  26.924   4.269  -1.571
  112    HZ3  LYS  14           HZ3      LYS  14  27.259   5.924  -1.760
  113    H    TRP  15           HN       TRP  15  21.806   0.437   0.485
  114    HA   TRP  15           HA       TRP  15  22.665  -2.170   0.860
  115    HB2  TRP  15           HB2      TRP  15  20.290  -0.606   1.221
  116    HB3  TRP  15           HB1      TRP  15  19.834  -2.156   0.595
  117    HD1  TRP  15           HD1      TRP  15  21.960  -0.598   3.352
  118    HE1  TRP  15           HE1      TRP  15  21.951  -2.185   5.407
  119    HE3  TRP  15           HE3      TRP  15  19.376  -4.461   1.383
  120    HZ2  TRP  15           HZ2      TRP  15  20.950  -4.804   6.083
  121    HZ3  TRP  15           HZ3      TRP  15  18.892  -6.511   2.713
  122    HH2  TRP  15           HH2      TRP  15  19.681  -6.684   5.060
  123    H    ILE  16           HN       ILE  16  21.052  -0.658  -1.895
  124    HA   ILE  16           HA       ILE  16  20.449  -3.067  -3.270
  125    HB   ILE  16           HB       ILE  16  20.866  -0.250  -4.231
  126   HG12  ILE  16          HG12      ILE  16  18.823  -1.054  -2.782
  127   HG13  ILE  16          HG11      ILE  16  18.535  -0.042  -4.192
  128   HG21  ILE  16          HG21      ILE  16  19.686  -1.163  -6.344
  129   HG22  ILE  16          HG22      ILE  16  20.216  -2.749  -5.783
  130   HG23  ILE  16          HG23      ILE  16  21.406  -1.502  -6.155
  131   HD11  ILE  16          HD11      ILE  16  18.512  -3.039  -4.492
  132   HD12  ILE  16          HD12      ILE  16  17.684  -1.818  -5.453
  133   HD13  ILE  16          HD13      ILE  16  17.100  -2.215  -3.837
  134    H    ILE  17           HN       ILE  17  23.237  -0.887  -3.356
  135    HA   ILE  17           HA       ILE  17  24.661  -2.277  -5.362
  136    HB   ILE  17           HB       ILE  17  25.608  -0.493  -3.125
  137   HG12  ILE  17          HG12      ILE  17  25.393   0.066  -6.089
  138   HG13  ILE  17          HG11      ILE  17  24.097   0.437  -4.948
  139   HG21  ILE  17          HG21      ILE  17  27.675  -0.289  -4.598
  140   HG22  ILE  17          HG22      ILE  17  27.087  -1.705  -5.468
  141   HG23  ILE  17          HG23      ILE  17  27.498  -1.827  -3.758
  142   HD11  ILE  17          HD11      ILE  17  26.939   1.480  -4.763
  143   HD12  ILE  17          HD12      ILE  17  25.622   1.868  -3.656
  144   HD13  ILE  17          HD13      ILE  17  25.550   2.405  -5.334
  145    H    ASP  18           HN       ASP  18  24.631  -2.488  -1.857
  146    HA   ASP  18           HA       ASP  18  26.673  -4.401  -1.559
  147    HB2  ASP  18           HB2      ASP  18  25.531  -3.010   0.252
  148    HB3  ASP  18           HB1      ASP  18  24.214  -4.181   0.182
  149    H    THR  19           HN       THR  19  23.262  -4.647  -2.352
  150    HA   THR  19           HA       THR  19  23.069  -7.479  -2.016
  151    HB   THR  19           HB       THR  19  21.331  -5.733  -3.739
  152    HG1  THR  19           HG1      THR  19  21.578  -4.976  -1.557
  153   HG21  THR  19          HG21      THR  19  19.634  -7.452  -3.177
  154   HG22  THR  19          HG22      THR  19  20.864  -8.349  -2.286
  155   HG23  THR  19          HG23      THR  19  21.014  -8.145  -4.031
  156    H    VAL  20           HN       VAL  20  23.506  -5.382  -4.849
  157    HA   VAL  20           HA       VAL  20  23.574  -7.448  -6.768
  158    HB   VAL  20           HB       VAL  20  24.809  -4.703  -6.797
  159   HG11  VAL  20          HG11      VAL  20  25.988  -5.954  -8.446
  160   HG12  VAL  20          HG12      VAL  20  24.717  -5.107  -9.328
  161   HG13  VAL  20          HG13      VAL  20  24.528  -6.816  -8.936
  162   HG21  VAL  20          HG21      VAL  20  22.293  -4.931  -6.594
  163   HG22  VAL  20          HG22      VAL  20  22.317  -5.743  -8.160
  164   HG23  VAL  20          HG23      VAL  20  22.841  -4.064  -8.029
  165    H    ASN  21           HN       ASN  21  26.103  -5.833  -4.911
  166    HA   ASN  21           HA       ASN  21  28.329  -7.090  -6.076
  167    HB2  ASN  21           HB2      ASN  21  28.491  -5.133  -4.611
  168    HB3  ASN  21           HB1      ASN  21  27.980  -6.123  -3.249
  169   HD21  ASN  21          HD21      ASN  21  30.668  -4.733  -4.095
  170   HD22  ASN  21          HD22      ASN  21  31.815  -5.954  -3.804
  171    H    LYS  22           HN       LYS  22  26.262  -8.036  -3.364
  172    HA   LYS  22           HA       LYS  22  27.796 -10.427  -2.819
  173    HB2  LYS  22           HB2      LYS  22  25.190  -9.380  -1.750
  174    HB3  LYS  22           HB1      LYS  22  25.876 -10.927  -1.251
  175    HG2  LYS  22           HG2      LYS  22  27.984  -9.690  -0.615
  176    HG3  LYS  22           HG1      LYS  22  27.128  -8.183  -0.925
  177    HD2  LYS  22           HD2      LYS  22  26.134 -10.293   1.009
  178    HD3  LYS  22           HD1      LYS  22  27.133  -8.926   1.500
  179    HE2  LYS  22           HE2      LYS  22  25.364  -7.429   0.407
  180    HE3  LYS  22           HE1      LYS  22  24.341  -8.865   0.338
  181    HZ1  LYS  22           HZ1      LYS  22  25.038  -7.230   2.586
  182    HZ2  LYS  22           HZ2      LYS  22  25.292  -8.884   2.877
  183    HZ3  LYS  22           HZ3      LYS  22  23.759  -8.327   2.401
  184    H    PHE  23           HN       PHE  23  25.596  -9.624  -5.183
  185    HA   PHE  23           HA       PHE  23  23.981 -11.942  -5.309
  186    HB2  PHE  23           HB2      PHE  23  23.549  -9.802  -6.540
  187    HB3  PHE  23           HB1      PHE  23  24.861 -10.244  -7.630
  188    HD1  PHE  23           HD1      PHE  23  24.711 -12.364  -8.976
  189    HD2  PHE  23           HD2      PHE  23  21.400 -10.836  -6.708
  190    HE1  PHE  23           HE1      PHE  23  23.161 -13.805 -10.269
  191    HE2  PHE  23           HE2      PHE  23  19.850 -12.280  -7.998
  192    HZ   PHE  23           HZ       PHE  23  20.731 -13.764  -9.777
  193    H    THR  24           HN       THR  24  27.279 -11.385  -6.052
  194    HA   THR  24           HA       THR  24  28.947 -12.735  -6.859
  195    HB   THR  24           HB       THR  24  28.791 -15.053  -6.509
  196    HG1  THR  24           HG1      THR  24  26.863 -16.159  -6.623
  197   HG21  THR  24          HG21      THR  24  28.201 -13.512  -4.478
  198   HG22  THR  24          HG22      THR  24  27.930 -15.249  -4.336
  199   HG23  THR  24          HG23      THR  24  26.576 -14.172  -4.675
  200    H    LYS  25           HN       LYS  25  28.096 -11.340  -8.792
  201    HA   LYS  25           HA       LYS  25  26.705 -12.564 -10.923
  202    HB2  LYS  25           HB2      LYS  25  28.756 -10.342 -10.921
  203    HB3  LYS  25           HB1      LYS  25  27.786 -10.789 -12.320
  204    HG2  LYS  25           HG2      LYS  25  26.568 -10.016  -9.656
  205    HG3  LYS  25           HG1      LYS  25  26.895  -8.845 -10.931
  206    HD2  LYS  25           HD2      LYS  25  25.508 -10.439 -12.456
  207    HD3  LYS  25           HD1      LYS  25  24.937 -11.149 -10.949
  208    HE2  LYS  25           HE2      LYS  25  24.762  -8.193 -11.584
  209    HE3  LYS  25           HE1      LYS  25  23.443  -9.339 -11.821
  210    HZ1  LYS  25           HZ1      LYS  25  23.363  -8.153  -9.670
  211    HZ2  LYS  25           HZ2      LYS  25  24.819  -8.905  -9.228
  212    HZ3  LYS  25           HZ3      LYS  25  23.426  -9.839  -9.506
  213    H    LYS  26           HN       LYS  26  30.166 -12.376 -10.169
  214    HA   LYS  26           HA       LYS  26  31.048 -13.666 -12.539
  215    HB2  LYS  26           HB2      LYS  26  32.343 -13.341  -9.826
  216    HB3  LYS  26           HB1      LYS  26  33.159 -14.038 -11.228
  217    HG2  LYS  26           HG2      LYS  26  32.774 -11.962 -12.488
  218    HG3  LYS  26           HG1      LYS  26  31.938 -11.266 -11.099
  219    HD2  LYS  26           HD2      LYS  26  33.996 -11.510  -9.748
  220    HD3  LYS  26           HD1      LYS  26  34.832 -12.171 -11.154
  221    HE2  LYS  26           HE2      LYS  26  34.425 -10.084 -12.389
  222    HE3  LYS  26           HE1      LYS  26  33.574  -9.423 -10.994
  223    HZ1  LYS  26           HZ1      LYS  26  35.557  -8.670 -10.365
  224    HZ2  LYS  26           HZ2      LYS  26  36.391  -9.653 -11.471
  225    HZ3  LYS  26           HZ3      LYS  26  35.933 -10.271  -9.957
  Start of MODEL    3
    1    H1   FME   1           HN       FME   1  11.754  13.177  12.829
    2    HCN  FME   1           HCN      FME   1  14.118  13.793  13.994
    3    HA   FME   1           HA       FME   1  14.054  11.577  12.244
    4    HB2  FME   1           HB2      FME   1  11.290  11.225  11.090
    5    HB3  FME   1           HB1      FME   1  12.519   9.989  11.352
    6    HG2  FME   1           HG2      FME   1  12.362  10.560  13.839
    7    HG3  FME   1           HG1      FME   1  10.909  11.475  13.436
    8    HE1  FME   1           HE1      FME   1   9.572   9.407  10.990
    9    HE2  FME   1           HE2      FME   1   9.149  10.723  12.083
   10    HE3  FME   1           HE3      FME   1   8.354   9.160  12.250
   11    H    ALA   2           HN       ALA   2  13.732  14.322  11.037
   12    HA   ALA   2           HA       ALA   2  13.276  14.128   8.268
   13    HB1  ALA   2           HB1      ALA   2  14.553  16.214   8.092
   14    HB2  ALA   2           HB2      ALA   2  15.182  15.981   9.723
   15    HB3  ALA   2           HB3      ALA   2  13.462  16.276   9.475
   16    H    GLN   3           HN       GLN   3  16.341  13.949  10.089
   17    HA   GLN   3           HA       GLN   3  18.023  13.451   7.897
   18    HB2  GLN   3           HB2      GLN   3  18.123  13.059  10.841
   19    HB3  GLN   3           HB1      GLN   3  19.283  12.136   9.907
   20    HG2  GLN   3           HG2      GLN   3  18.895  15.115   9.643
   21    HG3  GLN   3           HG1      GLN   3  20.127  14.379  10.661
   22   HE21  GLN   3          HE21      GLN   3  19.872  15.839   7.745
   23   HE22  GLN   3          HE22      GLN   3  21.038  14.975   6.864
   24    H    ASP   4           HN       ASP   4  16.350  11.239  10.071
   25    HA   ASP   4           HA       ASP   4  17.249   8.815   9.051
   26    HB2  ASP   4           HB2      ASP   4  16.000   8.955  11.115
   27    HB3  ASP   4           HB1      ASP   4  14.577   9.518  10.247
   28    H    ILE   5           HN       ILE   5  14.492  10.806   8.013
   29    HA   ILE   5           HA       ILE   5  13.497   9.000   6.082
   30    HB   ILE   5           HB       ILE   5  13.323  12.002   6.290
   31   HG12  ILE   5          HG12      ILE   5  11.180   9.908   6.673
   32   HG13  ILE   5          HG11      ILE   5  12.198  10.464   7.998
   33   HG21  ILE   5          HG21      ILE   5  12.078  10.094   4.299
   34   HG22  ILE   5          HG22      ILE   5  13.011  11.552   3.962
   35   HG23  ILE   5          HG23      ILE   5  11.389  11.682   4.643
   36   HD11  ILE   5          HD11      ILE   5  10.601  12.345   6.244
   37   HD12  ILE   5          HD12      ILE   5  11.411  12.725   7.763
   38   HD13  ILE   5          HD13      ILE   5   9.984  11.689   7.760
   39    H    ILE   6           HN       ILE   6  15.846  11.651   5.856
   40    HA   ILE   6           HA       ILE   6  16.357  11.257   3.063
   41    HB   ILE   6           HB       ILE   6  18.062  12.645   5.150
   42   HG12  ILE   6          HG12      ILE   6  15.837  13.651   5.062
   43   HG13  ILE   6          HG11      ILE   6  16.982  14.722   4.267
   44   HG21  ILE   6          HG21      ILE   6  19.297  12.112   3.097
   45   HG22  ILE   6          HG22      ILE   6  18.984  13.846   3.183
   46   HG23  ILE   6          HG23      ILE   6  18.014  12.825   2.121
   47   HD11  ILE   6          HD11      ILE   6  15.206  14.708   2.753
   48   HD12  ILE   6          HD12      ILE   6  14.821  13.018   3.064
   49   HD13  ILE   6          HD13      ILE   6  16.229  13.432   2.089
   50    H    SER   7           HN       SER   7  17.696  10.017   6.058
   51    HA   SER   7           HA       SER   7  19.988   8.783   4.870
   52    HB2  SER   7           HB2      SER   7  19.534   9.385   7.365
   53    HB3  SER   7           HB1      SER   7  18.730   7.823   7.412
   54    HG   SER   7           HG       SER   7  21.233   7.961   6.192
   55    H    THR   8           HN       THR   8  16.684   7.809   5.521
   56    HA   THR   8           HA       THR   8  16.916   5.033   5.179
   57    HB   THR   8           HB       THR   8  14.593   6.860   4.605
   58    HG1  THR   8           HG1      THR   8  15.460   5.400   6.861
   59   HG21  THR   8          HG21      THR   8  13.276   4.724   5.018
   60   HG22  THR   8          HG22      THR   8  14.801   3.856   4.842
   61   HG23  THR   8          HG23      THR   8  14.156   4.791   3.492
   62    H    ILE   9           HN       ILE   9  16.150   7.547   2.780
   63    HA   ILE   9           HA       ILE   9  15.738   5.798   0.604
   64    HB   ILE   9           HB       ILE   9  16.401   7.895  -0.756
   65   HG12  ILE   9          HG12      ILE   9  16.420   9.062   2.022
   66   HG13  ILE   9          HG11      ILE   9  17.789   8.991   0.920
   67   HG21  ILE   9          HG21      ILE   9  14.058   7.204  -0.114
   68   HG22  ILE   9          HG22      ILE   9  14.263   8.942  -0.308
   69   HG23  ILE   9          HG23      ILE   9  14.214   8.232   1.305
   70   HD11  ILE   9          HD11      ILE   9  16.359  10.326  -0.712
   71   HD12  ILE   9          HD12      ILE   9  16.924  11.191   0.717
   72   HD13  ILE   9          HD13      ILE   9  15.260  10.609   0.637
   73    H    GLY  10           HN       GLY  10  18.617   7.607   1.557
   74    HA2  GLY  10           HA2      GLY  10  20.318   6.562  -0.436
   75    HA3  GLY  10           HA1      GLY  10  20.857   7.276   1.087
   76    H    ASP  11           HN       ASP  11  19.413   5.391   2.774
   77    HA   ASP  11           HA       ASP  11  21.351   3.378   3.050
   78    HB2  ASP  11           HB2      ASP  11  19.592   4.097   4.773
   79    HB3  ASP  11           HB1      ASP  11  18.470   3.074   3.883
   80    H    LEU  12           HN       LEU  12  18.180   3.391   1.495
   81    HA   LEU  12           HA       LEU  12  18.213   0.716   0.576
   82    HB2  LEU  12           HB2      LEU  12  16.146   2.000   0.653
   83    HB3  LEU  12           HB1      LEU  12  16.783   3.173  -0.500
   84    HG   LEU  12           HG       LEU  12  16.892   1.436  -2.242
   85   HD11  LEU  12          HD11      LEU  12  16.120  -0.364   0.053
   86   HD12  LEU  12          HD12      LEU  12  17.389  -0.587  -1.149
   87   HD13  LEU  12          HD13      LEU  12  15.703  -0.812  -1.602
   88   HD21  LEU  12          HD21      LEU  12  14.524   1.125  -2.577
   89   HD22  LEU  12          HD22      LEU  12  14.747   2.684  -1.782
   90   HD23  LEU  12          HD23      LEU  12  14.206   1.287  -0.850
   91    H    VAL  13           HN       VAL  13  19.418   3.763  -0.840
   92    HA   VAL  13           HA       VAL  13  19.999   2.748  -3.395
   93    HB   VAL  13           HB       VAL  13  21.381   4.888  -1.790
   94   HG11  VAL  13          HG11      VAL  13  22.960   4.212  -3.447
   95   HG12  VAL  13          HG12      VAL  13  22.155   5.632  -4.112
   96   HG13  VAL  13          HG13      VAL  13  21.701   4.021  -4.667
   97   HG21  VAL  13          HG21      VAL  13  20.010   6.419  -2.995
   98   HG22  VAL  13          HG22      VAL  13  18.925   5.136  -2.454
   99   HG23  VAL  13          HG23      VAL  13  19.489   5.170  -4.126
  100    H    LYS  14           HN       LYS  14  21.991   2.891  -0.455
  101    HA   LYS  14           HA       LYS  14  24.214   1.560  -1.633
  102    HB2  LYS  14           HB2      LYS  14  23.429   2.301   1.177
  103    HB3  LYS  14           HB1      LYS  14  24.784   1.201   0.918
  104    HG2  LYS  14           HG2      LYS  14  25.730   3.391   1.031
  105    HG3  LYS  14           HG1      LYS  14  25.751   2.958  -0.674
  106    HD2  LYS  14           HD2      LYS  14  23.670   4.242  -1.028
  107    HD3  LYS  14           HD1      LYS  14  23.642   4.663   0.684
  108    HE2  LYS  14           HE2      LYS  14  25.801   5.815   0.446
  109    HE3  LYS  14           HE1      LYS  14  25.856   5.372  -1.262
  110    HZ1  LYS  14           HZ1      LYS  14  24.180   7.343   0.098
  111    HZ2  LYS  14           HZ2      LYS  14  23.500   6.508  -1.216
  112    HZ3  LYS  14           HZ3      LYS  14  24.919   7.417  -1.427
  113    H    TRP  15           HN       TRP  15  21.502   0.433   0.371
  114    HA   TRP  15           HA       TRP  15  22.326  -2.164   0.798
  115    HB2  TRP  15           HB2      TRP  15  19.947  -0.597   1.018
  116    HB3  TRP  15           HB1      TRP  15  19.507  -2.139   0.374
  117    HD1  TRP  15           HD1      TRP  15  21.443  -0.574   3.254
  118    HE1  TRP  15           HE1      TRP  15  21.308  -2.155   5.309
  119    HE3  TRP  15           HE3      TRP  15  19.045  -4.469   1.125
  120    HZ2  TRP  15           HZ2      TRP  15  20.294  -4.786   5.924
  121    HZ3  TRP  15           HZ3      TRP  15  18.493  -6.524   2.427
  122    HH2  TRP  15           HH2      TRP  15  19.122  -6.682   4.825
  123    H    ILE  16           HN       ILE  16  20.854  -0.694  -2.058
  124    HA   ILE  16           HA       ILE  16  20.348  -3.118  -3.463
  125    HB   ILE  16           HB       ILE  16  20.773  -0.299  -4.417
  126   HG12  ILE  16          HG12      ILE  16  18.262  -1.975  -4.402
  127   HG13  ILE  16          HG11      ILE  16  18.728  -0.985  -3.024
  128   HG21  ILE  16          HG21      ILE  16  21.364  -1.628  -6.305
  129   HG22  ILE  16          HG22      ILE  16  19.667  -1.220  -6.548
  130   HG23  ILE  16          HG23      ILE  16  20.110  -2.817  -5.949
  131   HD11  ILE  16          HD11      ILE  16  18.816   1.002  -4.535
  132   HD12  ILE  16          HD12      ILE  16  17.207   0.287  -4.445
  133   HD13  ILE  16          HD13      ILE  16  18.229  -0.014  -5.851
  134    H    ILE  17           HN       ILE  17  23.100  -0.899  -3.413
  135    HA   ILE  17           HA       ILE  17  24.662  -2.269  -5.337
  136    HB   ILE  17           HB       ILE  17  25.444  -0.443  -3.073
  137   HG12  ILE  17          HG12      ILE  17  25.333   0.101  -6.049
  138   HG13  ILE  17          HG11      ILE  17  23.991   0.454  -4.957
  139   HG21  ILE  17          HG21      ILE  17  27.062  -1.609  -5.344
  140   HG22  ILE  17          HG22      ILE  17  27.393  -1.731  -3.616
  141   HG23  ILE  17          HG23      ILE  17  27.570  -0.183  -4.441
  142   HD11  ILE  17          HD11      ILE  17  26.793   1.604  -4.822
  143   HD12  ILE  17          HD12      ILE  17  25.564   1.850  -3.583
  144   HD13  ILE  17          HD13      ILE  17  25.310   2.474  -5.214
  145    H    ASP  18           HN       ASP  18  24.420  -2.440  -1.847
  146    HA   ASP  18           HA       ASP  18  26.494  -4.265  -1.370
  147    HB2  ASP  18           HB2      ASP  18  25.139  -2.921   0.326
  148    HB3  ASP  18           HB1      ASP  18  23.889  -4.154   0.156
  149    H    THR  19           HN       THR  19  23.157  -4.689  -2.412
  150    HA   THR  19           HA       THR  19  23.084  -7.520  -2.064
  151    HB   THR  19           HB       THR  19  21.415  -5.743  -3.831
  152    HG1  THR  19           HG1      THR  19  20.409  -6.885  -1.540
  153   HG21  THR  19          HG21      THR  19  19.801  -7.699  -3.622
  154   HG22  THR  19          HG22      THR  19  21.154  -8.633  -2.986
  155   HG23  THR  19          HG23      THR  19  21.219  -7.995  -4.630
  156    H    VAL  20           HN       VAL  20  23.654  -5.439  -4.886
  157    HA   VAL  20           HA       VAL  20  23.993  -7.538  -6.748
  158    HB   VAL  20           HB       VAL  20  25.061  -4.722  -6.757
  159   HG11  VAL  20          HG11      VAL  20  25.059  -6.896  -8.852
  160   HG12  VAL  20          HG12      VAL  20  26.425  -5.939  -8.281
  161   HG13  VAL  20          HG13      VAL  20  25.177  -5.189  -9.277
  162   HG21  VAL  20          HG21      VAL  20  23.174  -4.464  -8.444
  163   HG22  VAL  20          HG22      VAL  20  22.657  -4.727  -6.780
  164   HG23  VAL  20          HG23      VAL  20  22.614  -6.056  -7.936
  165    H    ASN  21           HN       ASN  21  26.250  -5.736  -4.724
  166    HA   ASN  21           HA       ASN  21  28.642  -6.843  -5.677
  167    HB2  ASN  21           HB2      ASN  21  28.556  -4.895  -4.200
  168    HB3  ASN  21           HB1      ASN  21  27.977  -5.919  -2.894
  169   HD21  ASN  21          HD21      ASN  21  30.641  -4.368  -3.466
  170   HD22  ASN  21          HD22      ASN  21  31.829  -5.522  -3.071
  171    H    LYS  22           HN       LYS  22  26.395  -7.949  -3.181
  172    HA   LYS  22           HA       LYS  22  28.011 -10.257  -2.516
  173    HB2  LYS  22           HB2      LYS  22  25.258  -9.382  -1.700
  174    HB3  LYS  22           HB1      LYS  22  25.981 -10.895  -1.151
  175    HG2  LYS  22           HG2      LYS  22  27.943  -9.540  -0.304
  176    HG3  LYS  22           HG1      LYS  22  27.018  -8.085  -0.671
  177    HD2  LYS  22           HD2      LYS  22  26.009 -10.302   1.134
  178    HD3  LYS  22           HD1      LYS  22  26.840  -8.866   1.728
  179    HE2  LYS  22           HE2      LYS  22  25.062  -7.507   0.464
  180    HE3  LYS  22           HE1      LYS  22  24.173  -9.022   0.314
  181    HZ1  LYS  22           HZ1      LYS  22  24.128  -7.322   2.452
  182    HZ2  LYS  22           HZ2      LYS  22  25.115  -8.604   2.969
  183    HZ3  LYS  22           HZ3      LYS  22  23.538  -8.911   2.419
  184    H    PHE  23           HN       PHE  23  25.836  -9.495  -4.975
  185    HA   PHE  23           HA       PHE  23  24.780 -12.177  -5.315
  186    HB2  PHE  23           HB2      PHE  23  23.427 -10.169  -5.866
  187    HB3  PHE  23           HB1      PHE  23  24.572  -9.811  -7.157
  188    HD1  PHE  23           HD1      PHE  23  22.223 -12.413  -5.899
  189    HD2  PHE  23           HD2      PHE  23  24.446 -10.918  -9.257
  190    HE1  PHE  23           HE1      PHE  23  21.052 -14.012  -7.389
  191    HE2  PHE  23           HE2      PHE  23  23.274 -12.516 -10.746
  192    HZ   PHE  23           HZ       PHE  23  21.576 -14.063  -9.812
  193    H    THR  24           HN       THR  24  27.709 -10.831  -5.879
  194    HA   THR  24           HA       THR  24  28.285 -12.689  -8.111
  195    HB   THR  24           HB       THR  24  29.725 -11.012  -9.149
  196    HG1  THR  24           HG1      THR  24  30.405  -9.642  -7.676
  197   HG21  THR  24          HG21      THR  24  28.013  -9.611 -10.052
  198   HG22  THR  24          HG22      THR  24  27.043  -9.737  -8.585
  199   HG23  THR  24          HG23      THR  24  27.228 -11.135  -9.643
  200    H    LYS  25           HN       LYS  25  28.732 -13.499  -5.603
  201    HA   LYS  25           HA       LYS  25  31.169 -12.749  -4.405
  202    HB2  LYS  25           HB2      LYS  25  29.758 -15.430  -4.359
  203    HB3  LYS  25           HB1      LYS  25  31.033 -14.932  -3.250
  204    HG2  LYS  25           HG2      LYS  25  28.420 -13.432  -3.576
  205    HG3  LYS  25           HG1      LYS  25  28.681 -14.667  -2.349
  206    HD2  LYS  25           HD2      LYS  25  30.751 -13.255  -1.658
  207    HD3  LYS  25           HD1      LYS  25  30.007 -11.965  -2.605
  208    HE2  LYS  25           HE2      LYS  25  29.233 -11.652  -0.376
  209    HE3  LYS  25           HE1      LYS  25  27.884 -12.366  -1.258
  210    HZ1  LYS  25           HZ1      LYS  25  27.931 -13.719   0.551
  211    HZ2  LYS  25           HZ2      LYS  25  29.606 -13.549   0.793
  212    HZ3  LYS  25           HZ3      LYS  25  29.019 -14.568  -0.434
  213    H    LYS  26           HN       LYS  26  30.412 -15.228  -6.829
  214    HA   LYS  26           HA       LYS  26  32.888 -16.494  -6.970
  215    HB2  LYS  26           HB2      LYS  26  32.250 -17.140  -9.251
  216    HB3  LYS  26           HB1      LYS  26  30.881 -17.297  -8.149
  217    HG2  LYS  26           HG2      LYS  26  30.059 -15.076  -8.893
  218    HG3  LYS  26           HG1      LYS  26  31.399 -14.978 -10.034
  219    HD2  LYS  26           HD2      LYS  26  30.600 -17.139 -11.049
  220    HD3  LYS  26           HD1      LYS  26  29.169 -17.026 -10.020
  221    HE2  LYS  26           HE2      LYS  26  30.043 -14.876 -11.966
  222    HE3  LYS  26           HE1      LYS  26  28.810 -16.088 -12.315
  223    HZ1  LYS  26           HZ1      LYS  26  28.567 -13.680 -10.858
  224    HZ2  LYS  26           HZ2      LYS  26  28.170 -14.991  -9.855
  225    HZ3  LYS  26           HZ3      LYS  26  27.352 -14.767 -11.327
  Start of MODEL    4
    1    H1   FME   1           HN       FME   1  11.000  12.586  12.265
    2    HCN  FME   1           HCN      FME   1  12.468  14.706  12.396
    3    HA   FME   1           HA       FME   1  13.598  11.420  11.979
    4    HB2  FME   1           HB2      FME   1  10.931  10.704  10.741
    5    HB3  FME   1           HB1      FME   1  12.391   9.726  10.601
    6    HG2  FME   1           HG2      FME   1  12.488   9.651  13.119
    7    HG3  FME   1           HG1      FME   1  10.907  10.435  13.145
    8    HE1  FME   1           HE1      FME   1  10.116   8.462  14.614
    9    HE2  FME   1           HE2      FME   1  11.651   7.608  14.474
   10    HE3  FME   1           HE3      FME   1  10.146   6.756  14.144
   11    H    ALA   2           HN       ALA   2  13.191  14.090  10.796
   12    HA   ALA   2           HA       ALA   2  13.000  13.979   7.993
   13    HB1  ALA   2           HB1      ALA   2  14.719  15.900   9.577
   14    HB2  ALA   2           HB2      ALA   2  12.971  16.065   9.409
   15    HB3  ALA   2           HB3      ALA   2  14.006  16.163   7.985
   16    H    GLN   3           HN       GLN   3  15.860  13.890  10.109
   17    HA   GLN   3           HA       GLN   3  17.777  13.571   8.066
   18    HB2  GLN   3           HB2      GLN   3  17.650  13.130  11.005
   19    HB3  GLN   3           HB1      GLN   3  19.005  12.420  10.146
   20    HG2  GLN   3           HG2      GLN   3  19.565  14.662  10.970
   21    HG3  GLN   3           HG1      GLN   3  19.540  14.634   9.211
   22   HE21  GLN   3          HE21      GLN   3  18.801  16.722   8.675
   23   HE22  GLN   3          HE22      GLN   3  17.359  17.395   9.268
   24    H    ASP   4           HN       ASP   4  16.251  11.212  10.217
   25    HA   ASP   4           HA       ASP   4  17.410   8.894   9.188
   26    HB2  ASP   4           HB2      ASP   4  16.170   8.963  11.291
   27    HB3  ASP   4           HB1      ASP   4  14.678   9.255  10.406
   28    H    ILE   5           HN       ILE   5  14.375  10.503   8.243
   29    HA   ILE   5           HA       ILE   5  13.596   8.580   6.335
   30    HB   ILE   5           HB       ILE   5  12.990  11.512   6.604
   31   HG12  ILE   5          HG12      ILE   5  12.163   9.638   8.265
   32   HG13  ILE   5          HG11      ILE   5  11.028  10.857   7.700
   33   HG21  ILE   5          HG21      ILE   5  12.033   9.515   4.557
   34   HG22  ILE   5          HG22      ILE   5  12.654  11.146   4.295
   35   HG23  ILE   5          HG23      ILE   5  11.053  10.913   5.001
   36   HD11  ILE   5          HD11      ILE   5  10.308   8.351   7.635
   37   HD12  ILE   5          HD12      ILE   5  11.330   8.255   6.203
   38   HD13  ILE   5          HD13      ILE   5   9.960   9.362   6.232
   39    H    ILE   6           HN       ILE   6  15.533  11.536   6.061
   40    HA   ILE   6           HA       ILE   6  15.962  11.311   3.245
   41    HB   ILE   6           HB       ILE   6  17.460  12.802   5.411
   42   HG12  ILE   6          HG12      ILE   6  15.654  13.840   3.211
   43   HG13  ILE   6          HG11      ILE   6  15.052  13.420   4.815
   44   HG21  ILE   6          HG21      ILE   6  19.041  12.497   3.650
   45   HG22  ILE   6          HG22      ILE   6  18.353  14.099   3.387
   46   HG23  ILE   6          HG23      ILE   6  17.813  12.735   2.407
   47   HD11  ILE   6          HD11      ILE   6  15.571  15.838   4.643
   48   HD12  ILE   6          HD12      ILE   6  17.242  15.439   4.244
   49   HD13  ILE   6          HD13      ILE   6  16.596  15.039   5.836
   50    H    SER   7           HN       SER   7  17.502  10.040   6.107
   51    HA   SER   7           HA       SER   7  19.874   9.094   4.793
   52    HB2  SER   7           HB2      SER   7  19.510   9.586   7.315
   53    HB3  SER   7           HB1      SER   7  18.807   7.975   7.360
   54    HG   SER   7           HG       SER   7  21.098   7.968   5.954
   55    H    THR   8           HN       THR   8  16.705   7.806   5.501
   56    HA   THR   8           HA       THR   8  17.182   5.073   5.143
   57    HB   THR   8           HB       THR   8  14.697   6.678   4.593
   58    HG1  THR   8           HG1      THR   8  15.942   5.644   6.833
   59   HG21  THR   8          HG21      THR   8  15.168   3.707   4.876
   60   HG22  THR   8          HG22      THR   8  14.452   4.554   3.504
   61   HG23  THR   8          HG23      THR   8  13.576   4.450   5.030
   62    H    ILE   9           HN       ILE   9  16.196   7.518   2.745
   63    HA   ILE   9           HA       ILE   9  15.863   5.769   0.572
   64    HB   ILE   9           HB       ILE   9  16.519   7.895  -0.785
   65   HG12  ILE   9          HG12      ILE   9  16.339   9.072   1.983
   66   HG13  ILE   9          HG11      ILE   9  17.804   8.979   1.017
   67   HG21  ILE   9          HG21      ILE   9  14.250   8.061   1.208
   68   HG22  ILE   9          HG22      ILE   9  14.192   7.143  -0.294
   69   HG23  ILE   9          HG23      ILE   9  14.335   8.897  -0.340
   70   HD11  ILE   9          HD11      ILE   9  15.320  10.599   0.474
   71   HD12  ILE   9          HD12      ILE   9  16.519  10.273  -0.778
   72   HD13  ILE   9          HD13      ILE   9  16.977  11.174   0.667
   73    H    GLY  10           HN       GLY  10  18.721   7.638   1.502
   74    HA2  GLY  10           HA2      GLY  10  20.419   6.615  -0.510
   75    HA3  GLY  10           HA1      GLY  10  20.961   7.350   1.002
   76    H    ASP  11           HN       ASP  11  19.571   5.438   2.708
   77    HA   ASP  11           HA       ASP  11  21.559   3.468   2.964
   78    HB2  ASP  11           HB2      ASP  11  19.834   4.170   4.711
   79    HB3  ASP  11           HB1      ASP  11  18.697   3.143   3.843
   80    H    LEU  12           HN       LEU  12  18.356   3.415   1.474
   81    HA   LEU  12           HA       LEU  12  18.398   0.745   0.552
   82    HB2  LEU  12           HB2      LEU  12  16.324   2.004   0.674
   83    HB3  LEU  12           HB1      LEU  12  16.922   3.186  -0.487
   84    HG   LEU  12           HG       LEU  12  17.009   1.458  -2.235
   85   HD11  LEU  12          HD11      LEU  12  16.284  -0.347   0.073
   86   HD12  LEU  12          HD12      LEU  12  17.535  -0.564  -1.152
   87   HD13  LEU  12          HD13      LEU  12  15.841  -0.791  -1.575
   88   HD21  LEU  12          HD21      LEU  12  14.388   1.510  -0.703
   89   HD22  LEU  12          HD22      LEU  12  14.562   0.975  -2.374
   90   HD23  LEU  12          HD23      LEU  12  14.893   2.654  -1.948
   91    H    VAL  13           HN       VAL  13  19.553   3.793  -0.887
   92    HA   VAL  13           HA       VAL  13  20.105   2.777  -3.451
   93    HB   VAL  13           HB       VAL  13  21.477   4.939  -1.866
   94   HG11  VAL  13          HG11      VAL  13  22.197   5.704  -4.188
   95   HG12  VAL  13          HG12      VAL  13  21.757   4.090  -4.746
   96   HG13  VAL  13          HG13      VAL  13  23.033   4.292  -3.546
   97   HG21  VAL  13          HG21      VAL  13  19.541   5.207  -4.166
   98   HG22  VAL  13          HG22      VAL  13  20.051   6.451  -3.027
   99   HG23  VAL  13          HG23      VAL  13  19.002   5.141  -2.488
  100    H    LYS  14           HN       LYS  14  22.146   2.983  -0.541
  101    HA   LYS  14           HA       LYS  14  24.365   1.661  -1.731
  102    HB2  LYS  14           HB2      LYS  14  23.603   2.431   1.075
  103    HB3  LYS  14           HB1      LYS  14  24.953   1.321   0.828
  104    HG2  LYS  14           HG2      LYS  14  25.897   3.520   0.905
  105    HG3  LYS  14           HG1      LYS  14  25.923   3.046  -0.790
  106    HD2  LYS  14           HD2      LYS  14  23.840   4.316  -1.180
  107    HD3  LYS  14           HD1      LYS  14  23.806   4.780   0.520
  108    HE2  LYS  14           HE2      LYS  14  25.960   5.937   0.261
  109    HE3  LYS  14           HE1      LYS  14  26.021   5.454  -1.436
  110    HZ1  LYS  14           HZ1      LYS  14  24.274   6.837  -1.984
  111    HZ2  LYS  14           HZ2      LYS  14  25.108   7.765  -0.832
  112    HZ3  LYS  14           HZ3      LYS  14  23.693   6.933  -0.393
  113    H    TRP  15           HN       TRP  15  21.699   0.527   0.326
  114    HA   TRP  15           HA       TRP  15  22.558  -2.068   0.747
  115    HB2  TRP  15           HB2      TRP  15  20.157  -0.521   1.009
  116    HB3  TRP  15           HB1      TRP  15  19.739  -2.093   0.418
  117    HD1  TRP  15           HD1      TRP  15  21.788  -0.440   3.186
  118    HE1  TRP  15           HE1      TRP  15  21.728  -1.966   5.282
  119    HE3  TRP  15           HE3      TRP  15  19.265  -4.368   1.262
  120    HZ2  TRP  15           HZ2      TRP  15  20.715  -4.565   6.011
  121    HZ3  TRP  15           HZ3      TRP  15  18.749  -6.376   2.640
  122    HH2  TRP  15           HH2      TRP  15  19.476  -6.478   5.011
  123    H    ILE  16           HN       ILE  16  21.020  -0.607  -2.076
  124    HA   ILE  16           HA       ILE  16  20.455  -3.034  -3.436
  125    HB   ILE  16           HB       ILE  16  20.953  -0.241  -4.436
  126   HG12  ILE  16          HG12      ILE  16  18.843  -0.971  -3.049
  127   HG13  ILE  16          HG11      ILE  16  18.625   0.005  -4.495
  128   HG21  ILE  16          HG21      ILE  16  19.837  -1.182  -6.572
  129   HG22  ILE  16          HG22      ILE  16  20.315  -2.764  -5.956
  130   HG23  ILE  16          HG23      ILE  16  21.542  -1.546  -6.308
  131   HD11  ILE  16          HD11      ILE  16  17.148  -2.145  -4.121
  132   HD12  ILE  16          HD12      ILE  16  18.567  -2.995  -4.729
  133   HD13  ILE  16          HD13      ILE  16  17.774  -1.783  -5.730
  134    H    ILE  17           HN       ILE  17  23.269  -0.880  -3.447
  135    HA   ILE  17           HA       ILE  17  24.756  -2.309  -5.376
  136    HB   ILE  17           HB       ILE  17  25.635  -0.518  -3.121
  137   HG12  ILE  17          HG12      ILE  17  25.543   0.014  -6.096
  138   HG13  ILE  17          HG11      ILE  17  24.211   0.416  -5.007
  139   HG21  ILE  17          HG21      ILE  17  27.195  -1.769  -5.390
  140   HG22  ILE  17          HG22      ILE  17  27.535  -1.879  -3.663
  141   HG23  ILE  17          HG23      ILE  17  27.763  -0.350  -4.511
  142   HD11  ILE  17          HD11      ILE  17  25.832   1.760  -3.633
  143   HD12  ILE  17          HD12      ILE  17  25.593   2.389  -5.263
  144   HD13  ILE  17          HD13      ILE  17  27.048   1.472  -4.876
  145    H    ASP  18           HN       ASP  18  24.590  -2.485  -1.873
  146    HA   ASP  18           HA       ASP  18  26.595  -4.421  -1.488
  147    HB2  ASP  18           HB2      ASP  18  25.439  -3.011   0.281
  148    HB3  ASP  18           HB1      ASP  18  24.077  -4.124   0.159
  149    H    THR  19           HN       THR  19  23.208  -4.626  -2.377
  150    HA   THR  19           HA       THR  19  22.922  -7.431  -2.008
  151    HB   THR  19           HB       THR  19  21.363  -5.694  -3.899
  152    HG1  THR  19           HG1      THR  19  21.382  -5.943  -1.123
  153   HG21  THR  19          HG21      THR  19  20.929  -8.058  -4.188
  154   HG22  THR  19          HG22      THR  19  19.568  -7.350  -3.318
  155   HG23  THR  19          HG23      THR  19  20.784  -8.281  -2.445
  156    H    VAL  20           HN       VAL  20  23.538  -5.459  -4.904
  157    HA   VAL  20           HA       VAL  20  23.729  -7.629  -6.704
  158    HB   VAL  20           HB       VAL  20  24.913  -4.863  -6.831
  159   HG11  VAL  20          HG11      VAL  20  24.964  -5.394  -9.329
  160   HG12  VAL  20          HG12      VAL  20  24.739  -7.082  -8.874
  161   HG13  VAL  20          HG13      VAL  20  26.178  -6.213  -8.346
  162   HG21  VAL  20          HG21      VAL  20  22.507  -6.014  -8.256
  163   HG22  VAL  20          HG22      VAL  20  22.992  -4.319  -8.165
  164   HG23  VAL  20          HG23      VAL  20  22.389  -5.143  -6.727
  165    H    ASN  21           HN       ASN  21  26.136  -5.854  -4.827
  166    HA   ASN  21           HA       ASN  21  28.436  -7.127  -5.818
  167    HB2  ASN  21           HB2      ASN  21  28.508  -5.090  -4.454
  168    HB3  ASN  21           HB1      ASN  21  27.939  -6.007  -3.070
  169   HD21  ASN  21          HD21      ASN  21  29.422  -7.495  -2.064
  170   HD22  ASN  21          HD22      ASN  21  31.082  -7.459  -2.418
  171    H    LYS  22           HN       LYS  22  26.252  -7.950  -3.169
  172    HA   LYS  22           HA       LYS  22  27.778 -10.249  -2.346
  173    HB2  LYS  22           HB2      LYS  22  25.037  -9.226  -1.653
  174    HB3  LYS  22           HB1      LYS  22  25.676 -10.735  -1.003
  175    HG2  LYS  22           HG2      LYS  22  27.539  -9.574   0.020
  176    HG3  LYS  22           HG1      LYS  22  27.089  -8.064  -0.768
  177    HD2  LYS  22           HD2      LYS  22  26.354  -8.101   1.595
  178    HD3  LYS  22           HD1      LYS  22  24.979  -8.009   0.494
  179    HE2  LYS  22           HE2      LYS  22  24.868  -9.705   2.459
  180    HE3  LYS  22           HE1      LYS  22  24.382 -10.259   0.860
  181    HZ1  LYS  22           HZ1      LYS  22  26.613 -11.154   0.546
  182    HZ2  LYS  22           HZ2      LYS  22  25.867 -11.837   1.912
  183    HZ3  LYS  22           HZ3      LYS  22  27.056 -10.637   2.099
  184    H    PHE  23           HN       PHE  23  25.519  -9.609  -4.821
  185    HA   PHE  23           HA       PHE  23  24.407 -12.248  -5.005
  186    HB2  PHE  23           HB2      PHE  23  23.210 -10.264  -5.855
  187    HB3  PHE  23           HB1      PHE  23  24.475 -10.054  -7.064
  188    HD1  PHE  23           HD1      PHE  23  22.035 -12.583  -5.786
  189    HD2  PHE  23           HD2      PHE  23  24.326 -11.175  -9.136
  190    HE1  PHE  23           HE1      PHE  23  20.903 -14.230  -7.254
  191    HE2  PHE  23           HE2      PHE  23  23.194 -12.823 -10.602
  192    HZ   PHE  23           HZ       PHE  23  21.483 -14.350  -9.661
  193    H    THR  24           HN       THR  24  27.442 -11.597  -5.185
  194    HA   THR  24           HA       THR  24  29.280 -12.368  -6.338
  195    HB   THR  24           HB       THR  24  29.196 -14.656  -6.984
  196    HG1  THR  24           HG1      THR  24  27.259 -14.246  -8.323
  197   HG21  THR  24          HG21      THR  24  28.156 -15.694  -5.094
  198   HG22  THR  24          HG22      THR  24  26.989 -14.382  -4.935
  199   HG23  THR  24          HG23      THR  24  28.689 -14.101  -4.556
  200    H    LYS  25           HN       LYS  25  28.093 -10.369  -7.678
  201    HA   LYS  25           HA       LYS  25  27.539  -9.475  -9.748
  202    HB2  LYS  25           HB2      LYS  25  29.978 -11.127 -10.383
  203    HB3  LYS  25           HB1      LYS  25  29.441  -9.694 -11.252
  204    HG2  LYS  25           HG2      LYS  25  30.216  -9.735  -8.321
  205    HG3  LYS  25           HG1      LYS  25  31.291  -9.237  -9.626
  206    HD2  LYS  25           HD2      LYS  25  29.404  -7.566 -10.261
  207    HD3  LYS  25           HD1      LYS  25  28.775  -7.887  -8.643
  208    HE2  LYS  25           HE2      LYS  25  31.593  -6.942  -9.243
  209    HE3  LYS  25           HE1      LYS  25  30.279  -5.912  -8.676
  210    HZ1  LYS  25           HZ1      LYS  25  30.614  -6.584  -6.608
  211    HZ2  LYS  25           HZ2      LYS  25  32.009  -7.401  -7.130
  212    HZ3  LYS  25           HZ3      LYS  25  30.522  -8.219  -7.047
  213    H    LYS  26           HN       LYS  26  28.540 -10.876 -12.245
  214    HA   LYS  26           HA       LYS  26  26.067 -12.151 -12.915
  215    HB2  LYS  26           HB2      LYS  26  28.685 -11.854 -14.400
  216    HB3  LYS  26           HB1      LYS  26  27.264 -12.649 -15.082
  217    HG2  LYS  26           HG2      LYS  26  25.945 -10.613 -14.817
  218    HG3  LYS  26           HG1      LYS  26  27.291  -9.816 -14.008
  219    HD2  LYS  26           HD2      LYS  26  27.396  -9.039 -16.251
  220    HD3  LYS  26           HD1      LYS  26  28.648 -10.273 -16.138
  221    HE2  LYS  26           HE2      LYS  26  27.300 -11.884 -17.275
  222    HE3  LYS  26           HE1      LYS  26  25.847 -10.900 -17.107
  223    HZ1  LYS  26           HZ1      LYS  26  26.370  -9.727 -18.906
  224    HZ2  LYS  26           HZ2      LYS  26  27.527 -10.924 -19.246
  225    HZ3  LYS  26           HZ3      LYS  26  27.980  -9.514 -18.415
  Start of MODEL    5
    1    H1   FME   1           HN       FME   1  11.185  13.931  11.619
    2    HCN  FME   1           HCN      FME   1  12.498  15.717  12.432
    3    HA   FME   1           HA       FME   1  13.517  12.265  11.621
    4    HB2  FME   1           HB2      FME   1  10.844  11.944  10.240
    5    HB3  FME   1           HB1      FME   1  12.083  10.692  10.350
    6    HG2  FME   1           HG2      FME   1  11.880  10.558  12.720
    7    HG3  FME   1           HG1      FME   1  10.943  12.050  12.797
    8    HE1  FME   1           HE1      FME   1   7.432  11.198  12.198
    9    HE2  FME   1           HE2      FME   1   8.604  12.319  11.513
   10    HE3  FME   1           HE3      FME   1   8.599  12.013  13.247
   11    H    ALA   2           HN       ALA   2  13.521  14.878  10.141
   12    HA   ALA   2           HA       ALA   2  13.522  14.481   7.365
   13    HB1  ALA   2           HB1      ALA   2  15.092  16.437   7.310
   14    HB2  ALA   2           HB2      ALA   2  15.184  16.354   9.069
   15    HB3  ALA   2           HB3      ALA   2  13.648  16.719   8.282
   16    H    GLN   3           HN       GLN   3  16.197  14.215   9.697
   17    HA   GLN   3           HA       GLN   3  18.158  13.442   7.822
   18    HB2  GLN   3           HB2      GLN   3  17.870  13.127  10.783
   19    HB3  GLN   3           HB1      GLN   3  19.238  12.437   9.944
   20    HG2  GLN   3           HG2      GLN   3  19.802  14.641   9.046
   21    HG3  GLN   3           HG1      GLN   3  18.405  15.332   9.852
   22   HE21  GLN   3          HE21      GLN   3  20.553  16.611  10.684
   23   HE22  GLN   3          HE22      GLN   3  21.153  16.038  12.164
   24    H    ASP   4           HN       ASP   4  16.256  11.491  10.084
   25    HA   ASP   4           HA       ASP   4  17.144   8.974   9.283
   26    HB2  ASP   4           HB2      ASP   4  15.825   9.280  11.290
   27    HB3  ASP   4           HB1      ASP   4  14.437   9.790  10.333
   28    H    ILE   5           HN       ILE   5  14.358  10.840   8.049
   29    HA   ILE   5           HA       ILE   5  13.489   8.884   6.204
   30    HB   ILE   5           HB       ILE   5  13.185  11.883   6.207
   31   HG12  ILE   5          HG12      ILE   5  11.113   9.737   6.710
   32   HG13  ILE   5          HG11      ILE   5  12.083  10.422   8.011
   33   HG21  ILE   5          HG21      ILE   5  12.919  11.283   3.923
   34   HG22  ILE   5          HG22      ILE   5  11.276  11.314   4.563
   35   HG23  ILE   5          HG23      ILE   5  12.105   9.773   4.333
   36   HD11  ILE   5          HD11      ILE   5  11.289  12.692   7.386
   37   HD12  ILE   5          HD12      ILE   5   9.948  11.630   7.818
   38   HD13  ILE   5          HD13      ILE   5  10.289  11.976   6.122
   39    H    ILE   6           HN       ILE   6  15.741  11.609   5.882
   40    HA   ILE   6           HA       ILE   6  16.304  11.144   3.122
   41    HB   ILE   6           HB       ILE   6  17.787  12.660   5.274
   42   HG12  ILE   6          HG12      ILE   6  16.258  13.646   2.847
   43   HG13  ILE   6          HG11      ILE   6  15.519  13.467   4.437
   44   HG21  ILE   6          HG21      ILE   6  19.469  12.050   3.687
   45   HG22  ILE   6          HG22      ILE   6  18.975  13.684   3.241
   46   HG23  ILE   6          HG23      ILE   6  18.377  12.300   2.325
   47   HD11  ILE   6          HD11      ILE   6  17.868  15.241   3.720
   48   HD12  ILE   6          HD12      ILE   6  17.295  14.978   5.367
   49   HD13  ILE   6          HD13      ILE   6  16.251  15.768   4.186
   50    H    SER   7           HN       SER   7  17.563   9.899   6.138
   51    HA   SER   7           HA       SER   7  19.905   8.701   4.979
   52    HB2  SER   7           HB2      SER   7  19.426   9.303   7.482
   53    HB3  SER   7           HB1      SER   7  18.669   7.717   7.520
   54    HG   SER   7           HG       SER   7  20.725   7.236   7.925
   55    H    THR   8           HN       THR   8  16.610   7.718   5.615
   56    HA   THR   8           HA       THR   8  16.842   4.940   5.295
   57    HB   THR   8           HB       THR   8  14.549   6.778   4.626
   58    HG1  THR   8           HG1      THR   8  15.214   5.283   6.933
   59   HG21  THR   8          HG21      THR   8  14.739   3.780   4.895
   60   HG22  THR   8          HG22      THR   8  14.085   4.713   3.549
   61   HG23  THR   8          HG23      THR   8  13.214   4.645   5.080
   62    H    ILE   9           HN       ILE   9  16.090   7.449   2.894
   63    HA   ILE   9           HA       ILE   9  15.777   5.723   0.689
   64    HB   ILE   9           HB       ILE   9  16.424   7.835  -0.629
   65   HG12  ILE   9          HG12      ILE   9  16.435   8.978   2.160
   66   HG13  ILE   9          HG11      ILE   9  17.802   8.925   1.055
   67   HG21  ILE   9          HG21      ILE   9  14.234   8.143   1.434
   68   HG22  ILE   9          HG22      ILE   9  14.083   7.134  -0.002
   69   HG23  ILE   9          HG23      ILE   9  14.280   8.875  -0.168
   70   HD11  ILE   9          HD11      ILE   9  16.946  11.117   0.857
   71   HD12  ILE   9          HD12      ILE   9  15.277  10.552   0.818
   72   HD13  ILE   9          HD13      ILE   9  16.337  10.266  -0.563
   73    H    GLY  10           HN       GLY  10  18.605   7.538   1.772
   74    HA2  GLY  10           HA2      GLY  10  20.375   6.562  -0.201
   75    HA3  GLY  10           HA1      GLY  10  20.865   7.232   1.356
   76    H    ASP  11           HN       ASP  11  19.420   5.312   2.968
   77    HA   ASP  11           HA       ASP  11  21.344   3.285   3.209
   78    HB2  ASP  11           HB2      ASP  11  19.573   4.003   4.925
   79    HB3  ASP  11           HB1      ASP  11  18.459   2.983   4.022
   80    H    LEU  12           HN       LEU  12  18.214   3.360   1.556
   81    HA   LEU  12           HA       LEU  12  18.257   0.682   0.633
   82    HB2  LEU  12           HB2      LEU  12  16.181   1.976   0.670
   83    HB3  LEU  12           HB1      LEU  12  16.835   3.117  -0.505
   84    HG   LEU  12           HG       LEU  12  17.013   1.295  -2.177
   85   HD11  LEU  12          HD11      LEU  12  16.147  -0.376   0.175
   86   HD12  LEU  12          HD12      LEU  12  17.406  -0.699  -1.016
   87   HD13  LEU  12          HD13      LEU  12  15.712  -0.890  -1.455
   88   HD21  LEU  12          HD21      LEU  12  14.944   2.492  -2.220
   89   HD22  LEU  12          HD22      LEU  12  14.333   1.618  -0.815
   90   HD23  LEU  12          HD23      LEU  12  14.532   0.783  -2.355
   91    H    VAL  13           HN       VAL  13  19.505   3.732  -0.731
   92    HA   VAL  13           HA       VAL  13  20.109   2.749  -3.289
   93    HB   VAL  13           HB       VAL  13  21.538   4.820  -1.626
   94   HG11  VAL  13          HG11      VAL  13  21.773   4.041  -4.541
   95   HG12  VAL  13          HG12      VAL  13  23.063   4.129  -3.341
   96   HG13  VAL  13          HG13      VAL  13  22.306   5.608  -3.935
   97   HG21  VAL  13          HG21      VAL  13  19.629   5.242  -3.933
   98   HG22  VAL  13          HG22      VAL  13  20.167   6.417  -2.733
   99   HG23  VAL  13          HG23      VAL  13  19.063   5.124  -2.265
  100    H    LYS  14           HN       LYS  14  22.062   2.808  -0.324
  101    HA   LYS  14           HA       LYS  14  24.285   1.459  -1.462
  102    HB2  LYS  14           HB2      LYS  14  23.413   2.198   1.312
  103    HB3  LYS  14           HB1      LYS  14  24.726   1.031   1.122
  104    HG2  LYS  14           HG2      LYS  14  25.631   3.312   1.299
  105    HG3  LYS  14           HG1      LYS  14  25.951   2.648  -0.302
  106    HD2  LYS  14           HD2      LYS  14  24.094   3.897  -1.250
  107    HD3  LYS  14           HD1      LYS  14  23.613   4.461   0.348
  108    HE2  LYS  14           HE2      LYS  14  24.843   6.254  -0.656
  109    HE3  LYS  14           HE1      LYS  14  25.912   5.523   0.545
  110    HZ1  LYS  14           HZ1      LYS  14  25.960   5.173  -2.397
  111    HZ2  LYS  14           HZ2      LYS  14  26.791   4.130  -1.342
  112    HZ3  LYS  14           HZ3      LYS  14  27.186   5.782  -1.395
  113    H    TRP  15           HN       TRP  15  21.513   0.301   0.447
  114    HA   TRP  15           HA       TRP  15  22.306  -2.321   0.797
  115    HB2  TRP  15           HB2      TRP  15  19.946  -0.721   1.056
  116    HB3  TRP  15           HB1      TRP  15  19.491  -2.237   0.341
  117    HD1  TRP  15           HD1      TRP  15  21.479  -0.849   3.289
  118    HE1  TRP  15           HE1      TRP  15  21.275  -2.500   5.282
  119    HE3  TRP  15           HE3      TRP  15  18.908  -4.561   1.028
  120    HZ2  TRP  15           HZ2      TRP  15  20.150  -5.090   5.808
  121    HZ3  TRP  15           HZ3      TRP  15  18.268  -6.636   2.266
  122    HH2  TRP  15           HH2      TRP  15  18.896  -6.897   4.656
  123    H    ILE  16           HN       ILE  16  20.843  -0.733  -1.998
  124    HA   ILE  16           HA       ILE  16  20.336  -3.101  -3.495
  125    HB   ILE  16           HB       ILE  16  20.781  -0.247  -4.328
  126   HG12  ILE  16          HG12      ILE  16  18.249  -1.894  -4.386
  127   HG13  ILE  16          HG11      ILE  16  18.728  -0.983  -2.957
  128   HG21  ILE  16          HG21      ILE  16  21.371  -1.507  -6.259
  129   HG22  ILE  16          HG22      ILE  16  19.676  -1.079  -6.496
  130   HG23  ILE  16          HG23      ILE  16  20.110  -2.702  -5.957
  131   HD11  ILE  16          HD11      ILE  16  18.586   1.095  -4.101
  132   HD12  ILE  16          HD12      ILE  16  17.155   0.200  -4.609
  133   HD13  ILE  16          HD13      ILE  16  18.549   0.311  -5.682
  134    H    ILE  17           HN       ILE  17  23.076  -0.865  -3.370
  135    HA   ILE  17           HA       ILE  17  24.635  -2.164  -5.343
  136    HB   ILE  17           HB       ILE  17  25.448  -0.426  -3.014
  137   HG12  ILE  17          HG12      ILE  17  25.290   0.220  -5.970
  138   HG13  ILE  17          HG11      ILE  17  23.976   0.552  -4.836
  139   HG21  ILE  17          HG21      ILE  17  27.386  -1.697  -3.628
  140   HG22  ILE  17          HG22      ILE  17  27.556  -0.132  -4.420
  141   HG23  ILE  17          HG23      ILE  17  27.023  -1.534  -5.346
  142   HD11  ILE  17          HD11      ILE  17  26.806   1.593  -4.519
  143   HD12  ILE  17          HD12      ILE  17  25.415   2.005  -3.519
  144   HD13  ILE  17          HD13      ILE  17  25.475   2.525  -5.203
  145    H    ASP  18           HN       ASP  18  24.392  -2.464  -1.870
  146    HA   ASP  18           HA       ASP  18  26.453  -4.324  -1.445
  147    HB2  ASP  18           HB2      ASP  18  25.126  -2.985   0.278
  148    HB3  ASP  18           HB1      ASP  18  23.857  -4.196   0.096
  149    H    THR  19           HN       THR  19  23.121  -4.682  -2.525
  150    HA   THR  19           HA       THR  19  22.999  -7.517  -2.196
  151    HB   THR  19           HB       THR  19  21.363  -5.698  -3.947
  152    HG1  THR  19           HG1      THR  19  21.312  -6.490  -1.289
  153   HG21  THR  19          HG21      THR  19  21.160  -7.944  -4.786
  154   HG22  THR  19          HG22      THR  19  19.726  -7.625  -3.811
  155   HG23  THR  19          HG23      THR  19  21.041  -8.597  -3.151
  156    H    VAL  20           HN       VAL  20  23.600  -5.432  -5.015
  157    HA   VAL  20           HA       VAL  20  23.970  -7.545  -6.864
  158    HB   VAL  20           HB       VAL  20  24.971  -4.708  -6.887
  159   HG11  VAL  20          HG11      VAL  20  25.095  -5.204  -9.413
  160   HG12  VAL  20          HG12      VAL  20  25.058  -6.907  -8.954
  161   HG13  VAL  20          HG13      VAL  20  26.377  -5.874  -8.403
  162   HG21  VAL  20          HG21      VAL  20  22.524  -4.936  -6.878
  163   HG22  VAL  20          HG22      VAL  20  22.618  -6.076  -8.222
  164   HG23  VAL  20          HG23      VAL  20  23.080  -4.391  -8.460
  165    H    ASN  21           HN       ASN  21  26.187  -5.670  -4.863
  166    HA   ASN  21           HA       ASN  21  28.607  -6.735  -5.798
  167    HB2  ASN  21           HB2      ASN  21  28.356  -4.762  -4.288
  168    HB3  ASN  21           HB1      ASN  21  27.989  -5.882  -2.981
  169   HD21  ASN  21          HD21      ASN  21  30.431  -4.044  -3.709
  170   HD22  ASN  21          HD22      ASN  21  31.755  -5.079  -3.447
  171    H    LYS  22           HN       LYS  22  26.352  -7.865  -3.333
  172    HA   LYS  22           HA       LYS  22  27.991 -10.079  -2.511
  173    HB2  LYS  22           HB2      LYS  22  25.134  -9.296  -1.997
  174    HB3  LYS  22           HB1      LYS  22  25.821 -10.800  -1.386
  175    HG2  LYS  22           HG2      LYS  22  27.490  -9.609  -0.120
  176    HG3  LYS  22           HG1      LYS  22  27.058  -8.081  -0.881
  177    HD2  LYS  22           HD2      LYS  22  26.074  -8.199   1.361
  178    HD3  LYS  22           HD1      LYS  22  24.800  -8.224   0.143
  179    HE2  LYS  22           HE2      LYS  22  24.608  -9.922   2.063
  180    HE3  LYS  22           HE1      LYS  22  24.421 -10.551   0.430
  181    HZ1  LYS  22           HZ1      LYS  22  25.997 -11.729   2.089
  182    HZ2  LYS  22           HZ2      LYS  22  27.085 -10.490   1.678
  183    HZ3  LYS  22           HZ3      LYS  22  26.485 -11.531   0.477
  184    H    PHE  23           HN       PHE  23  25.801  -9.502  -5.096
  185    HA   PHE  23           HA       PHE  23  24.978 -12.216  -5.495
  186    HB2  PHE  23           HB2      PHE  23  23.683 -10.266  -6.330
  187    HB3  PHE  23           HB1      PHE  23  24.984  -9.951  -7.478
  188    HD1  PHE  23           HD1      PHE  23  22.582 -12.587  -6.377
  189    HD2  PHE  23           HD2      PHE  23  25.076 -11.106  -9.545
  190    HE1  PHE  23           HE1      PHE  23  21.626 -14.277  -7.920
  191    HE2  PHE  23           HE2      PHE  23  24.119 -12.795 -11.087
  192    HZ   PHE  23           HZ       PHE  23  22.395 -14.381 -10.275
  193    H    THR  24           HN       THR  24  27.948 -11.231  -5.464
  194    HA   THR  24           HA       THR  24  28.895 -12.129  -8.061
  195    HB   THR  24           HB       THR  24  30.061 -10.294  -6.909
  196    HG1  THR  24           HG1      THR  24  31.139 -12.092  -8.172
  197   HG21  THR  24          HG21      THR  24  30.892 -12.347  -4.851
  198   HG22  THR  24          HG22      THR  24  29.547 -11.235  -4.598
  199   HG23  THR  24          HG23      THR  24  31.181 -10.608  -4.822
  200    H    LYS  25           HN       LYS  25  27.382 -13.949  -6.394
  201    HA   LYS  25           HA       LYS  25  29.027 -15.861  -5.121
  202    HB2  LYS  25           HB2      LYS  25  26.342 -16.216  -6.477
  203    HB3  LYS  25           HB1      LYS  25  27.088 -17.381  -5.386
  204    HG2  LYS  25           HG2      LYS  25  26.407 -14.526  -4.620
  205    HG3  LYS  25           HG1      LYS  25  25.382 -15.915  -4.268
  206    HD2  LYS  25           HD2      LYS  25  27.488 -16.917  -3.119
  207    HD3  LYS  25           HD1      LYS  25  28.117 -15.268  -3.157
  208    HE2  LYS  25           HE2      LYS  25  26.148 -14.465  -1.941
  209    HE3  LYS  25           HE1      LYS  25  25.491 -16.102  -1.905
  210    HZ1  LYS  25           HZ1      LYS  25  27.066 -16.804  -0.423
  211    HZ2  LYS  25           HZ2      LYS  25  26.874 -15.195   0.086
  212    HZ3  LYS  25           HZ3      LYS  25  28.202 -15.631  -0.879
  213    H    LYS  26           HN       LYS  26  27.867 -15.602  -8.458
  214    HA   LYS  26           HA       LYS  26  28.694 -18.028  -9.485
  215    HB2  LYS  26           HB2      LYS  26  28.719 -15.270 -10.723
  216    HB3  LYS  26           HB1      LYS  26  29.097 -16.735 -11.633
  217    HG2  LYS  26           HG2      LYS  26  26.913 -17.676 -11.132
  218    HG3  LYS  26           HG1      LYS  26  26.534 -16.323 -10.068
  219    HD2  LYS  26           HD2      LYS  26  25.439 -15.853 -12.147
  220    HD3  LYS  26           HD1      LYS  26  26.849 -14.798 -12.081
  221    HE2  LYS  26           HE2      LYS  26  28.059 -16.135 -13.624
  222    HE3  LYS  26           HE1      LYS  26  26.955 -17.498 -13.440
  223    HZ1  LYS  26           HZ1      LYS  26  25.417 -16.553 -14.777
  224    HZ2  LYS  26           HZ2      LYS  26  26.797 -15.830 -15.451
  225    HZ3  LYS  26           HZ3      LYS  26  25.834 -14.966 -14.352
  Start of MODEL    6
    1    H1   FME   1           HN       FME   1  11.047  12.506  12.360
    2    HCN  FME   1           HCN      FME   1  13.182  13.401  13.758
    3    HA   FME   1           HA       FME   1  13.605  11.313  11.944
    4    HB2  FME   1           HB2      FME   1  10.933  10.698  10.662
    5    HB3  FME   1           HB1      FME   1  12.363   9.669  10.590
    6    HG2  FME   1           HG2      FME   1  11.120  10.552  13.203
    7    HG3  FME   1           HG1      FME   1  10.662   9.056  12.386
    8    HE1  FME   1           HE1      FME   1  11.115   8.430  14.744
    9    HE2  FME   1           HE2      FME   1  12.641   7.739  15.286
   10    HE3  FME   1           HE3      FME   1  11.755   6.975  13.969
   11    H    ALA   2           HN       ALA   2  13.182  14.043  10.864
   12    HA   ALA   2           HA       ALA   2  12.978  14.008   8.054
   13    HB1  ALA   2           HB1      ALA   2  14.216  16.179   8.169
   14    HB2  ALA   2           HB2      ALA   2  14.481  15.892   9.889
   15    HB3  ALA   2           HB3      ALA   2  12.841  16.100   9.270
   16    H    GLN   3           HN       GLN   3  15.814  13.835  10.187
   17    HA   GLN   3           HA       GLN   3  17.746  13.610   8.130
   18    HB2  GLN   3           HB2      GLN   3  17.678  12.951  11.050
   19    HB3  GLN   3           HB1      GLN   3  19.068  12.500  10.086
   20    HG2  GLN   3           HG2      GLN   3  17.952  15.298  10.205
   21    HG3  GLN   3           HG1      GLN   3  19.277  14.741  11.219
   22   HE21  GLN   3          HE21      GLN   3  18.805  16.508   8.506
   23   HE22  GLN   3          HE22      GLN   3  20.201  16.103   7.632
   24    H    ASP   4           HN       ASP   4  16.288  11.175  10.233
   25    HA   ASP   4           HA       ASP   4  17.456   8.903   9.128
   26    HB2  ASP   4           HB2      ASP   4  16.215   8.903  11.239
   27    HB3  ASP   4           HB1      ASP   4  14.719   9.189  10.355
   28    H    ILE   5           HN       ILE   5  14.403  10.510   8.238
   29    HA   ILE   5           HA       ILE   5  13.626   8.632   6.283
   30    HB   ILE   5           HB       ILE   5  13.006  11.553   6.626
   31   HG12  ILE   5          HG12      ILE   5  12.182   9.636   8.236
   32   HG13  ILE   5          HG11      ILE   5  11.042  10.864   7.696
   33   HG21  ILE   5          HG21      ILE   5  12.050   9.612   4.528
   34   HG22  ILE   5          HG22      ILE   5  12.668  11.250   4.310
   35   HG23  ILE   5          HG23      ILE   5  11.070  10.996   5.014
   36   HD11  ILE   5          HD11      ILE   5  10.378   8.324   7.560
   37   HD12  ILE   5          HD12      ILE   5  11.355   8.334   6.094
   38   HD13  ILE   5          HD13      ILE   5   9.961   9.401   6.229
   39    H    ILE   6           HN       ILE   6  15.544  11.609   6.072
   40    HA   ILE   6           HA       ILE   6  15.970  11.439   3.250
   41    HB   ILE   6           HB       ILE   6  17.457  12.904   5.443
   42   HG12  ILE   6          HG12      ILE   6  15.657  13.984   3.262
   43   HG13  ILE   6          HG11      ILE   6  15.041  13.514   4.847
   44   HG21  ILE   6          HG21      ILE   6  18.346  14.242   3.444
   45   HG22  ILE   6          HG22      ILE   6  17.812  12.895   2.438
   46   HG23  ILE   6          HG23      ILE   6  19.042  12.637   3.674
   47   HD11  ILE   6          HD11      ILE   6  15.546  15.931   4.770
   48   HD12  ILE   6          HD12      ILE   6  17.217  15.568   4.340
   49   HD13  ILE   6          HD13      ILE   6  16.593  15.103   5.923
   50    H    SER   7           HN       SER   7  17.512  10.139   6.092
   51    HA   SER   7           HA       SER   7  19.899   9.232   4.779
   52    HB2  SER   7           HB2      SER   7  19.543   9.704   7.295
   53    HB3  SER   7           HB1      SER   7  18.818   8.102   7.340
   54    HG   SER   7           HG       SER   7  21.144   8.122   5.946
   55    H    THR   8           HN       THR   8  16.734   7.910   5.459
   56    HA   THR   8           HA       THR   8  17.235   5.183   5.091
   57    HB   THR   8           HB       THR   8  14.740   6.764   4.524
   58    HG1  THR   8           HG1      THR   8  15.540   5.229   6.763
   59   HG21  THR   8          HG21      THR   8  14.507   4.662   3.412
   60   HG22  THR   8          HG22      THR   8  13.652   4.502   4.946
   61   HG23  THR   8          HG23      THR   8  15.256   3.796   4.754
   62    H    ILE   9           HN       ILE   9  16.260   7.629   2.686
   63    HA   ILE   9           HA       ILE   9  15.928   5.899   0.510
   64    HB   ILE   9           HB       ILE   9  16.712   8.003  -0.834
   65   HG12  ILE   9          HG12      ILE   9  16.437   9.181   1.925
   66   HG13  ILE   9          HG11      ILE   9  17.948   9.035   1.038
   67   HG21  ILE   9          HG21      ILE   9  14.339   7.309  -0.426
   68   HG22  ILE   9          HG22      ILE   9  14.545   9.056  -0.495
   69   HG23  ILE   9          HG23      ILE   9  14.367   8.251   1.064
   70   HD11  ILE   9          HD11      ILE   9  15.546  10.722   0.331
   71   HD12  ILE   9          HD12      ILE   9  16.836  10.374  -0.820
   72   HD13  ILE   9          HD13      ILE   9  17.191  11.265   0.661
   73    H    GLY  10           HN       GLY  10  18.828   7.663   1.498
   74    HA2  GLY  10           HA2      GLY  10  20.527   6.600  -0.486
   75    HA3  GLY  10           HA1      GLY  10  21.069   7.288   1.048
   76    H    ASP  11           HN       ASP  11  19.647   5.443   2.743
   77    HA   ASP  11           HA       ASP  11  21.527   3.374   2.963
   78    HB2  ASP  11           HB2      ASP  11  19.855   4.155   4.730
   79    HB3  ASP  11           HB1      ASP  11  18.664   3.179   3.875
   80    H    LEU  12           HN       LEU  12  18.329   3.487   1.463
   81    HA   LEU  12           HA       LEU  12  18.235   0.805   0.572
   82    HB2  LEU  12           HB2      LEU  12  16.223   2.166   0.637
   83    HB3  LEU  12           HB1      LEU  12  16.906   3.313  -0.511
   84    HG   LEU  12           HG       LEU  12  16.938   1.586  -2.256
   85   HD11  LEU  12          HD11      LEU  12  17.342  -0.459  -1.155
   86   HD12  LEU  12          HD12      LEU  12  15.650  -0.603  -1.624
   87   HD13  LEU  12          HD13      LEU  12  16.071  -0.180   0.037
   88   HD21  LEU  12          HD21      LEU  12  14.240   1.502  -0.887
   89   HD22  LEU  12          HD22      LEU  12  14.578   1.451  -2.617
   90   HD23  LEU  12          HD23      LEU  12  14.842   2.940  -1.710
   91    H    VAL  13           HN       VAL  13  19.560   3.776  -0.899
   92    HA   VAL  13           HA       VAL  13  20.110   2.655  -3.423
   93    HB   VAL  13           HB       VAL  13  21.526   4.826  -1.887
   94   HG11  VAL  13          HG11      VAL  13  23.102   4.042  -3.497
   95   HG12  VAL  13          HG12      VAL  13  22.346   5.461  -4.218
   96   HG13  VAL  13          HG13      VAL  13  21.851   3.846  -4.724
   97   HG21  VAL  13          HG21      VAL  13  19.114   5.172  -2.531
   98   HG22  VAL  13          HG22      VAL  13  19.602   4.994  -4.218
   99   HG23  VAL  13          HG23      VAL  13  20.229   6.332  -3.254
  100    H    LYS  14           HN       LYS  14  22.118   2.892  -0.496
  101    HA   LYS  14           HA       LYS  14  24.320   1.477  -1.557
  102    HB2  LYS  14           HB2      LYS  14  23.488   1.802   1.336
  103    HB3  LYS  14           HB1      LYS  14  25.092   1.333   0.765
  104    HG2  LYS  14           HG2      LYS  14  23.702   3.971   0.251
  105    HG3  LYS  14           HG1      LYS  14  25.075   3.712   1.318
  106    HD2  LYS  14           HD2      LYS  14  26.249   2.794  -0.831
  107    HD3  LYS  14           HD1      LYS  14  24.962   3.649  -1.687
  108    HE2  LYS  14           HE2      LYS  14  26.726   5.225  -1.550
  109    HE3  LYS  14           HE1      LYS  14  25.602   5.698  -0.274
  110    HZ1  LYS  14           HZ1      LYS  14  27.817   5.688   0.592
  111    HZ2  LYS  14           HZ2      LYS  14  28.085   4.102   0.048
  112    HZ3  LYS  14           HZ3      LYS  14  26.966   4.399   1.292
  113    H    TRP  15           HN       TRP  15  21.527   0.433   0.365
  114    HA   TRP  15           HA       TRP  15  22.292  -2.186   0.817
  115    HB2  TRP  15           HB2      TRP  15  19.941  -0.565   1.023
  116    HB3  TRP  15           HB1      TRP  15  19.477  -2.107   0.388
  117    HD1  TRP  15           HD1      TRP  15  21.488  -0.581   3.249
  118    HE1  TRP  15           HE1      TRP  15  21.317  -2.143   5.316
  119    HE3  TRP  15           HE3      TRP  15  18.906  -4.395   1.176
  120    HZ2  TRP  15           HZ2      TRP  15  20.203  -4.719   5.961
  121    HZ3  TRP  15           HZ3      TRP  15  18.287  -6.411   2.501
  122    HH2  TRP  15           HH2      TRP  15  18.941  -6.574   4.894
  123    H    ILE  16           HN       ILE  16  20.840  -0.688  -2.038
  124    HA   ILE  16           HA       ILE  16  20.300  -3.118  -3.416
  125    HB   ILE  16           HB       ILE  16  20.755  -0.316  -4.404
  126   HG12  ILE  16          HG12      ILE  16  18.228  -1.971  -4.378
  127   HG13  ILE  16          HG11      ILE  16  18.695  -0.955  -3.019
  128   HG21  ILE  16          HG21      ILE  16  21.359  -1.686  -6.260
  129   HG22  ILE  16          HG22      ILE  16  19.675  -1.241  -6.535
  130   HG23  ILE  16          HG23      ILE  16  20.073  -2.842  -5.915
  131   HD11  ILE  16          HD11      ILE  16  18.228  -0.036  -5.870
  132   HD12  ILE  16          HD12      ILE  16  18.808   1.001  -4.566
  133   HD13  ILE  16          HD13      ILE  16  17.193   0.298  -4.481
  134    H    ILE  17           HN       ILE  17  23.082  -0.935  -3.389
  135    HA   ILE  17           HA       ILE  17  24.607  -2.343  -5.309
  136    HB   ILE  17           HB       ILE  17  25.429  -0.500  -3.075
  137   HG12  ILE  17          HG12      ILE  17  25.353  -0.018  -6.060
  138   HG13  ILE  17          HG11      ILE  17  24.000   0.368  -4.992
  139   HG21  ILE  17          HG21      ILE  17  27.368  -1.810  -3.566
  140   HG22  ILE  17          HG22      ILE  17  27.564  -0.309  -4.468
  141   HG23  ILE  17          HG23      ILE  17  27.036  -1.773  -5.297
  142   HD11  ILE  17          HD11      ILE  17  25.482   2.332  -5.384
  143   HD12  ILE  17          HD12      ILE  17  26.820   1.438  -4.666
  144   HD13  ILE  17          HD13      ILE  17  25.420   1.870  -3.684
  145    H    ASP  18           HN       ASP  18  24.429  -2.516  -1.800
  146    HA   ASP  18           HA       ASP  18  26.497  -4.370  -1.393
  147    HB2  ASP  18           HB2      ASP  18  25.233  -3.038   0.371
  148    HB3  ASP  18           HB1      ASP  18  23.937  -4.225   0.211
  149    H    THR  19           HN       THR  19  23.129  -4.735  -2.333
  150    HA   THR  19           HA       THR  19  22.999  -7.564  -2.026
  151    HB   THR  19           HB       THR  19  21.362  -5.721  -3.754
  152    HG1  THR  19           HG1      THR  19  20.467  -6.905  -1.401
  153   HG21  THR  19          HG21      THR  19  21.059  -8.623  -2.985
  154   HG22  THR  19          HG22      THR  19  21.063  -7.924  -4.605
  155   HG23  THR  19          HG23      THR  19  19.694  -7.645  -3.527
  156    H    VAL  20           HN       VAL  20  23.608  -5.463  -4.818
  157    HA   VAL  20           HA       VAL  20  23.878  -7.537  -6.718
  158    HB   VAL  20           HB       VAL  20  25.015  -4.748  -6.686
  159   HG11  VAL  20          HG11      VAL  20  26.327  -5.995  -8.248
  160   HG12  VAL  20          HG12      VAL  20  25.109  -5.159  -9.208
  161   HG13  VAL  20          HG13      VAL  20  24.914  -6.871  -8.835
  162   HG21  VAL  20          HG21      VAL  20  22.504  -5.045  -6.639
  163   HG22  VAL  20          HG22      VAL  20  22.644  -5.877  -8.187
  164   HG23  VAL  20          HG23      VAL  20  23.112  -4.183  -8.051
  165    H    ASN  21           HN       ASN  21  26.222  -5.822  -4.695
  166    HA   ASN  21           HA       ASN  21  28.567  -6.968  -5.721
  167    HB2  ASN  21           HB2      ASN  21  28.559  -5.074  -4.165
  168    HB3  ASN  21           HB1      ASN  21  27.966  -6.134  -2.891
  169   HD21  ASN  21          HD21      ASN  21  30.660  -4.634  -3.422
  170   HD22  ASN  21          HD22      ASN  21  31.823  -5.833  -3.099
  171    H    LYS  22           HN       LYS  22  26.420  -8.056  -3.111
  172    HA   LYS  22           HA       LYS  22  27.912 -10.384  -2.464
  173    HB2  LYS  22           HB2      LYS  22  25.060  -9.588  -1.970
  174    HB3  LYS  22           HB1      LYS  22  25.709 -11.133  -1.423
  175    HG2  LYS  22           HG2      LYS  22  27.530  -9.863  -0.233
  176    HG3  LYS  22           HG1      LYS  22  26.701  -8.369  -0.657
  177    HD2  LYS  22           HD2      LYS  22  25.391 -10.630   0.875
  178    HD3  LYS  22           HD1      LYS  22  26.170  -9.254   1.654
  179    HE2  LYS  22           HE2      LYS  22  24.623  -7.777   0.228
  180    HE3  LYS  22           HE1      LYS  22  23.720  -9.253  -0.115
  181    HZ1  LYS  22           HZ1      LYS  22  23.804  -7.686   2.279
  182    HZ2  LYS  22           HZ2      LYS  22  24.083  -9.336   2.571
  183    HZ3  LYS  22           HZ3      LYS  22  22.665  -8.840   1.779
  184    H    PHE  23           HN       PHE  23  25.300  -9.736  -4.737
  185    HA   PHE  23           HA       PHE  23  24.627 -12.363  -5.417
  186    HB2  PHE  23           HB2      PHE  23  23.388 -10.311  -6.129
  187    HB3  PHE  23           HB1      PHE  23  24.683 -10.003  -7.283
  188    HD1  PHE  23           HD2      PHE  23  21.973 -12.348  -6.360
  189    HD2  PHE  23           HD1      PHE  23  24.931 -11.306  -9.296
  190    HE1  PHE  23           HE2      PHE  23  20.932 -13.922  -7.967
  191    HE2  PHE  23           HE1      PHE  23  23.889 -12.881 -10.903
  192    HZ   PHE  23           HZ       PHE  23  21.890 -14.189 -10.239
  193    H    THR  24           HN       THR  24  27.080 -10.208  -6.825
  194    HA   THR  24           HA       THR  24  28.105 -12.412  -8.482
  195    HB   THR  24           HB       THR  24  29.516 -10.647  -9.510
  196    HG1  THR  24           HG1      THR  24  29.780  -9.193  -7.913
  197   HG21  THR  24          HG21      THR  24  27.755  -9.613 -10.728
  198   HG22  THR  24          HG22      THR  24  26.648  -9.713  -9.360
  199   HG23  THR  24          HG23      THR  24  27.116 -11.178 -10.224
  200    H    LYS  25           HN       LYS  25  28.397 -12.408  -5.584
  201    HA   LYS  25           HA       LYS  25  30.977 -11.637  -4.779
  202    HB2  LYS  25           HB2      LYS  25  29.205 -12.209  -3.189
  203    HB3  LYS  25           HB1      LYS  25  29.223 -13.879  -3.740
  204    HG2  LYS  25           HG2      LYS  25  30.486 -13.754  -1.686
  205    HG3  LYS  25           HG1      LYS  25  31.637 -14.005  -2.991
  206    HD2  LYS  25           HD2      LYS  25  32.310 -11.720  -2.968
  207    HD3  LYS  25           HD1      LYS  25  30.943 -11.247  -1.964
  208    HE2  LYS  25           HE2      LYS  25  31.848 -12.534  -0.089
  209    HE3  LYS  25           HE1      LYS  25  33.180 -13.099  -1.096
  210    HZ1  LYS  25           HZ1      LYS  25  32.926 -10.253  -1.138
  211    HZ2  LYS  25           HZ2      LYS  25  34.285 -11.212  -0.785
  212    HZ3  LYS  25           HZ3      LYS  25  33.166 -10.838   0.437
  213    H    LYS  26           HN       LYS  26  29.750 -14.728  -6.045
  214    HA   LYS  26           HA       LYS  26  32.314 -16.005  -5.943
  215    HB2  LYS  26           HB2      LYS  26  31.215 -17.822  -7.172
  216    HB3  LYS  26           HB1      LYS  26  30.223 -17.296  -5.810
  217    HG2  LYS  26           HG2      LYS  26  28.891 -15.885  -7.354
  218    HG3  LYS  26           HG1      LYS  26  29.860 -16.473  -8.707
  219    HD2  LYS  26           HD2      LYS  26  29.169 -18.789  -8.195
  220    HD3  LYS  26           HD1      LYS  26  28.172 -18.193  -6.867
  221    HE2  LYS  26           HE2      LYS  26  26.861 -16.842  -8.455
  222    HE3  LYS  26           HE1      LYS  26  27.856 -17.439  -9.782
  223    HZ1  LYS  26           HZ1      LYS  26  25.665 -18.698  -8.456
  224    HZ2  LYS  26           HZ2      LYS  26  27.044 -19.690  -8.470
  225    HZ3  LYS  26           HZ3      LYS  26  26.406 -19.097  -9.928
  Start of MODEL    7
    1    H1   FME   1           HN       FME   1  11.021  12.751  12.335
    2    HCN  FME   1           HCN      FME   1  12.978  14.654  12.216
    3    HA   FME   1           HA       FME   1  13.592  11.502  12.041
    4    HB2  FME   1           HB2      FME   1  10.877  10.820  10.894
    5    HB3  FME   1           HB1      FME   1  12.311   9.804  10.736
    6    HG2  FME   1           HG2      FME   1  11.199  10.711  13.402
    7    HG3  FME   1           HG1      FME   1  10.784   9.171  12.652
    8    HE1  FME   1           HE1      FME   1  11.615   9.322  15.289
    9    HE2  FME   1           HE2      FME   1  13.006  10.389  15.470
   10    HE3  FME   1           HE3      FME   1  13.200   8.656  15.712
   11    H    ALA   2           HN       ALA   2  13.020  14.162  10.775
   12    HA   ALA   2           HA       ALA   2  12.828  13.943   7.986
   13    HB1  ALA   2           HB1      ALA   2  14.506  15.985   9.454
   14    HB2  ALA   2           HB2      ALA   2  12.746  16.071   9.358
   15    HB3  ALA   2           HB3      ALA   2  13.714  16.165   7.887
   16    H    GLN   3           HN       GLN   3  15.708  14.002  10.069
   17    HA   GLN   3           HA       GLN   3  17.591  13.717   7.985
   18    HB2  GLN   3           HB2      GLN   3  17.568  13.443  10.938
   19    HB3  GLN   3           HB1      GLN   3  18.884  12.639  10.105
   20    HG2  GLN   3           HG2      GLN   3  18.163  15.513   9.579
   21    HG3  GLN   3           HG1      GLN   3  19.307  15.053  10.832
   22   HE21  GLN   3          HE21      GLN   3  21.424  14.399  10.171
   23   HE22  GLN   3          HE22      GLN   3  21.925  14.401   8.549
   24    H    ASP   4           HN       ASP   4  16.149  11.334  10.182
   25    HA   ASP   4           HA       ASP   4  17.422   9.059   9.170
   26    HB2  ASP   4           HB2      ASP   4  16.213   9.008  11.267
   27    HB3  ASP   4           HB1      ASP   4  14.697   9.335  10.432
   28    H    ILE   5           HN       ILE   5  14.324  10.534   8.209
   29    HA   ILE   5           HA       ILE   5  13.623   8.569   6.309
   30    HB   ILE   5           HB       ILE   5  12.907  11.490   6.503
   31   HG12  ILE   5          HG12      ILE   5  11.177   9.054   6.973
   32   HG13  ILE   5          HG11      ILE   5  12.134   9.775   8.262
   33   HG21  ILE   5          HG21      ILE   5  12.007   9.349   4.568
   34   HG22  ILE   5          HG22      ILE   5  12.600  10.968   4.199
   35   HG23  ILE   5          HG23      ILE   5  11.007  10.758   4.926
   36   HD11  ILE   5          HD11      ILE   5  10.988  11.897   8.011
   37   HD12  ILE   5          HD12      ILE   5   9.767  10.632   8.153
   38   HD13  ILE   5          HD13      ILE   5  10.147  11.317   6.573
   39    H    ILE   6           HN       ILE   6  15.454  11.594   6.024
   40    HA   ILE   6           HA       ILE   6  15.904  11.368   3.214
   41    HB   ILE   6           HB       ILE   6  17.337  12.924   5.372
   42   HG12  ILE   6          HG12      ILE   6  15.463  13.867   3.183
   43   HG13  ILE   6          HG11      ILE   6  14.908  13.449   4.803
   44   HG21  ILE   6          HG21      ILE   6  18.914  12.673   3.585
   45   HG22  ILE   6          HG22      ILE   6  18.170  14.256   3.346
   46   HG23  ILE   6          HG23      ILE   6  17.663  12.885   2.360
   47   HD11  ILE   6          HD11      ILE   6  16.155  15.206   5.802
   48   HD12  ILE   6          HD12      ILE   6  15.443  15.929   4.360
   49   HD13  ILE   6          HD13      ILE   6  17.136  15.438   4.355
   50    H    SER   7           HN       SER   7  17.437  10.076   6.053
   51    HA   SER   7           HA       SER   7  19.858   9.263   4.679
   52    HB2  SER   7           HB2      SER   7  19.501   9.796   7.228
   53    HB3  SER   7           HB1      SER   7  19.011   8.109   7.300
   54    HG   SER   7           HG       SER   7  21.283   8.587   5.822
   55    H    THR   8           HN       THR   8  16.768   7.908   5.516
   56    HA   THR   8           HA       THR   8  17.267   5.170   5.237
   57    HB   THR   8           HB       THR   8  14.781   6.749   4.609
   58    HG1  THR   8           HG1      THR   8  14.440   5.507   6.793
   59   HG21  THR   8          HG21      THR   8  14.491   4.632   3.579
   60   HG22  THR   8          HG22      THR   8  13.687   4.499   5.142
   61   HG23  THR   8          HG23      THR   8  15.286   3.792   4.910
   62    H    ILE   9           HN       ILE   9  16.279   7.553   2.804
   63    HA   ILE   9           HA       ILE   9  15.952   5.818   0.631
   64    HB   ILE   9           HB       ILE   9  16.693   7.936  -0.706
   65   HG12  ILE   9          HG12      ILE   9  16.464   9.098   2.065
   66   HG13  ILE   9          HG11      ILE   9  17.956   8.972   1.145
   67   HG21  ILE   9          HG21      ILE   9  14.385   8.112   1.244
   68   HG22  ILE   9          HG22      ILE   9  14.343   7.237  -0.287
   69   HG23  ILE   9          HG23      ILE   9  14.520   8.989  -0.278
   70   HD11  ILE   9          HD11      ILE   9  16.736  10.306  -0.681
   71   HD12  ILE   9          HD12      ILE   9  17.224  11.182   0.769
   72   HD13  ILE   9          HD13      ILE   9  15.545  10.681   0.564
   73    H    GLY  10           HN       GLY  10  18.842   7.601   1.620
   74    HA2  GLY  10           HA2      GLY  10  20.548   6.558  -0.373
   75    HA3  GLY  10           HA1      GLY  10  21.086   7.247   1.162
   76    H    ASP  11           HN       ASP  11  19.688   5.391   2.863
   77    HA   ASP  11           HA       ASP  11  21.578   3.338   3.080
   78    HB2  ASP  11           HB2      ASP  11  19.879   4.091   4.832
   79    HB3  ASP  11           HB1      ASP  11  18.706   3.107   3.963
   80    H    LEU  12           HN       LEU  12  18.397   3.416   1.517
   81    HA   LEU  12           HA       LEU  12  18.386   0.731   0.612
   82    HB2  LEU  12           HB2      LEU  12  16.326   2.031   0.683
   83    HB3  LEU  12           HB1      LEU  12  16.968   3.182  -0.490
   84    HG   LEU  12           HG       LEU  12  17.081   1.402  -2.198
   85   HD11  LEU  12          HD11      LEU  12  16.273  -0.329   0.137
   86   HD12  LEU  12          HD12      LEU  12  17.533  -0.606  -1.066
   87   HD13  LEU  12          HD13      LEU  12  15.841  -0.811  -1.505
   88   HD21  LEU  12          HD21      LEU  12  14.604   0.882  -2.315
   89   HD22  LEU  12          HD22      LEU  12  14.998   2.590  -2.126
   90   HD23  LEU  12          HD23      LEU  12  14.442   1.654  -0.739
   91    H    VAL  13           HN       VAL  13  19.616   3.753  -0.839
   92    HA   VAL  13           HA       VAL  13  20.151   2.706  -3.388
   93    HB   VAL  13           HB       VAL  13  21.614   4.824  -1.816
   94   HG11  VAL  13          HG11      VAL  13  22.333   5.546  -4.160
   95   HG12  VAL  13          HG12      VAL  13  21.798   3.958  -4.709
   96   HG13  VAL  13          HG13      VAL  13  23.109   4.090  -3.538
   97   HG21  VAL  13          HG21      VAL  13  19.632   5.127  -4.081
   98   HG22  VAL  13          HG22      VAL  13  20.231   6.381  -2.994
   99   HG23  VAL  13          HG23      VAL  13  19.146   5.132  -2.385
  100    H    LYS  14           HN       LYS  14  22.175   2.839  -0.473
  101    HA   LYS  14           HA       LYS  14  24.370   1.458  -1.629
  102    HB2  LYS  14           HB2      LYS  14  23.571   2.268   1.146
  103    HB3  LYS  14           HB1      LYS  14  24.883   1.102   0.948
  104    HG2  LYS  14           HG2      LYS  14  25.800   3.374   1.039
  105    HG3  LYS  14           HG1      LYS  14  26.050   2.691  -0.564
  106    HD2  LYS  14           HD2      LYS  14  24.144   3.934  -1.443
  107    HD3  LYS  14           HD1      LYS  14  23.758   4.537   0.167
  108    HE2  LYS  14           HE2      LYS  14  24.961   6.285  -0.963
  109    HE3  LYS  14           HE1      LYS  14  26.060   5.585   0.228
  110    HZ1  LYS  14           HZ1      LYS  14  27.233   4.454  -1.403
  111    HZ2  LYS  14           HZ2      LYS  14  26.913   5.951  -2.138
  112    HZ3  LYS  14           HZ3      LYS  14  25.990   4.585  -2.549
  113    H    TRP  15           HN       TRP  15  21.642   0.352   0.368
  114    HA   TRP  15           HA       TRP  15  22.446  -2.254   0.788
  115    HB2  TRP  15           HB2      TRP  15  20.078  -0.657   1.005
  116    HB3  TRP  15           HB1      TRP  15  19.631  -2.206   0.365
  117    HD1  TRP  15           HD1      TRP  15  21.587  -0.642   3.243
  118    HE1  TRP  15           HE1      TRP  15  21.434  -2.211   5.304
  119    HE3  TRP  15           HE3      TRP  15  19.151  -4.538   1.138
  120    HZ2  TRP  15           HZ2      TRP  15  20.402  -4.817   5.939
  121    HZ3  TRP  15           HZ3      TRP  15  18.586  -6.576   2.462
  122    HH2  TRP  15           HH2      TRP  15  19.216  -6.715   4.861
  123    H    ILE  16           HN       ILE  16  20.941  -0.762  -2.040
  124    HA   ILE  16           HA       ILE  16  20.434  -3.168  -3.470
  125    HB   ILE  16           HB       ILE  16  20.870  -0.336  -4.383
  126   HG12  ILE  16          HG12      ILE  16  18.341  -1.987  -4.358
  127   HG13  ILE  16          HG11      ILE  16  18.837  -1.024  -2.969
  128   HG21  ILE  16          HG21      ILE  16  21.437  -1.648  -6.286
  129   HG22  ILE  16          HG22      ILE  16  19.739  -1.229  -6.515
  130   HG23  ILE  16          HG23      ILE  16  20.181  -2.836  -5.935
  131   HD11  ILE  16          HD11      ILE  16  18.608   0.164  -5.737
  132   HD12  ILE  16          HD12      ILE  16  18.682   1.011  -4.190
  133   HD13  ILE  16          HD13      ILE  16  17.237   0.099  -4.630
  134    H    ILE  17           HN       ILE  17  23.178  -0.927  -3.420
  135    HA   ILE  17           HA       ILE  17  24.715  -2.256  -5.384
  136    HB   ILE  17           HB       ILE  17  25.557  -0.510  -3.075
  137   HG12  ILE  17          HG12      ILE  17  25.376   0.121  -6.033
  138   HG13  ILE  17          HG11      ILE  17  24.075   0.467  -4.889
  139   HG21  ILE  17          HG21      ILE  17  27.114  -1.616  -5.422
  140   HG22  ILE  17          HG22      ILE  17  27.483  -1.802  -3.707
  141   HG23  ILE  17          HG23      ILE  17  27.658  -0.228  -4.483
  142   HD11  ILE  17          HD11      ILE  17  25.789   1.765  -3.522
  143   HD12  ILE  17          HD12      ILE  17  25.357   2.482  -5.073
  144   HD13  ILE  17          HD13      ILE  17  26.878   1.607  -4.899
  145    H    ASP  18           HN       ASP  18  24.507  -2.522  -1.907
  146    HA   ASP  18           HA       ASP  18  26.555  -4.412  -1.510
  147    HB2  ASP  18           HB2      ASP  18  25.325  -3.024   0.238
  148    HB3  ASP  18           HB1      ASP  18  24.007  -4.187   0.099
  149    H    THR  19           HN       THR  19  23.182  -4.700  -2.467
  150    HA   THR  19           HA       THR  19  23.011  -7.528  -2.104
  151    HB   THR  19           HB       THR  19  21.331  -5.839  -3.940
  152    HG1  THR  19           HG1      THR  19  20.381  -5.091  -2.228
  153   HG21  THR  19          HG21      THR  19  20.765  -8.411  -2.443
  154   HG22  THR  19          HG22      THR  19  21.132  -8.306  -4.165
  155   HG23  THR  19          HG23      THR  19  19.656  -7.578  -3.532
  156    H    VAL  20           HN       VAL  20  23.551  -5.482  -4.960
  157    HA   VAL  20           HA       VAL  20  23.781  -7.611  -6.806
  158    HB   VAL  20           HB       VAL  20  24.902  -4.819  -6.875
  159   HG11  VAL  20          HG11      VAL  20  24.778  -7.007  -8.955
  160   HG12  VAL  20          HG12      VAL  20  26.192  -6.095  -8.426
  161   HG13  VAL  20          HG13      VAL  20  24.942  -5.305  -9.387
  162   HG21  VAL  20          HG21      VAL  20  22.438  -4.975  -6.772
  163   HG22  VAL  20          HG22      VAL  20  22.455  -6.073  -8.153
  164   HG23  VAL  20          HG23      VAL  20  22.971  -4.398  -8.351
  165    H    ASN  21           HN       ASN  21  26.138  -5.818  -4.890
  166    HA   ASN  21           HA       ASN  21  28.470  -7.026  -5.899
  167    HB2  ASN  21           HB2      ASN  21  28.489  -5.007  -4.509
  168    HB3  ASN  21           HB1      ASN  21  27.934  -5.955  -3.137
  169   HD21  ASN  21          HD21      ASN  21  30.617  -4.511  -3.897
  170   HD22  ASN  21          HD22      ASN  21  31.786  -5.678  -3.491
  171    H    LYS  22           HN       LYS  22  26.295  -7.922  -3.256
  172    HA   LYS  22           HA       LYS  22  27.858 -10.264  -2.566
  173    HB2  LYS  22           HB2      LYS  22  25.227  -9.194  -1.575
  174    HB3  LYS  22           HB1      LYS  22  25.912 -10.717  -1.032
  175    HG2  LYS  22           HG2      LYS  22  27.791  -9.655  -0.060
  176    HG3  LYS  22           HG1      LYS  22  27.501  -8.152  -0.935
  177    HD2  LYS  22           HD2      LYS  22  26.832  -8.128   1.526
  178    HD3  LYS  22           HD1      LYS  22  25.571  -7.643   0.396
  179    HE2  LYS  22           HE2      LYS  22  24.395  -9.656   0.641
  180    HE3  LYS  22           HE1      LYS  22  25.803 -10.519   1.243
  181    HZ1  LYS  22           HZ1      LYS  22  24.150  -8.514   2.654
  182    HZ2  LYS  22           HZ2      LYS  22  25.692  -8.964   3.209
  183    HZ3  LYS  22           HZ3      LYS  22  24.453 -10.121   3.100
  184    H    PHE  23           HN       PHE  23  25.441  -9.506  -4.843
  185    HA   PHE  23           HA       PHE  23  23.968 -11.894  -4.939
  186    HB2  PHE  23           HB2      PHE  23  23.320  -9.861  -6.165
  187    HB3  PHE  23           HB1      PHE  23  24.702 -10.087  -7.234
  188    HD1  PHE  23           HD2      PHE  23  21.562 -11.696  -6.040
  189    HD2  PHE  23           HD1      PHE  23  24.606 -11.598  -9.069
  190    HE1  PHE  23           HE2      PHE  23  20.236 -13.269  -7.423
  191    HE2  PHE  23           HE1      PHE  23  23.280 -13.171 -10.452
  192    HZ   PHE  23           HZ       PHE  23  21.095 -14.007  -9.629
  193    H    THR  24           HN       THR  24  26.951 -10.951  -6.617
  194    HA   THR  24           HA       THR  24  27.222 -13.594  -7.815
  195    HB   THR  24           HB       THR  24  29.353 -11.462  -7.873
  196    HG1  THR  24           HG1      THR  24  26.867 -11.039  -8.536
  197   HG21  THR  24          HG21      THR  24  28.360 -13.357 -10.018
  198   HG22  THR  24          HG22      THR  24  29.662 -13.760  -8.902
  199   HG23  THR  24          HG23      THR  24  29.849 -12.415 -10.026
  200    H    LYS  25           HN       LYS  25  27.259 -13.227  -4.892
  201    HA   LYS  25           HA       LYS  25  29.975 -13.675  -4.046
  202    HB2  LYS  25           HB2      LYS  25  28.358 -12.546  -2.575
  203    HB3  LYS  25           HB1      LYS  25  27.374 -14.002  -2.532
  204    HG2  LYS  25           HG2      LYS  25  28.695 -13.943  -0.510
  205    HG3  LYS  25           HG1      LYS  25  29.365 -15.210  -1.532
  206    HD2  LYS  25           HD2      LYS  25  31.203 -13.839  -2.191
  207    HD3  LYS  25           HD1      LYS  25  30.447 -12.383  -1.552
  208    HE2  LYS  25           HE2      LYS  25  30.693 -13.221   0.726
  209    HE3  LYS  25           HE1      LYS  25  31.329 -14.753   0.122
  210    HZ1  LYS  25           HZ1      LYS  25  32.588 -12.109  -0.377
  211    HZ2  LYS  25           HZ2      LYS  25  33.223 -13.635  -0.772
  212    HZ3  LYS  25           HZ3      LYS  25  33.064 -13.172   0.855
  213    H    LYS  26           HN       LYS  26  30.971 -15.584  -3.638
  214    HA   LYS  26           HA       LYS  26  30.228 -17.924  -4.911
  215    HB2  LYS  26           HB2      LYS  26  31.929 -17.558  -2.435
  216    HB3  LYS  26           HB1      LYS  26  31.844 -19.050  -3.375
  217    HG2  LYS  26           HG2      LYS  26  32.643 -17.849  -5.366
  218    HG3  LYS  26           HG1      LYS  26  32.698 -16.344  -4.445
  219    HD2  LYS  26           HD2      LYS  26  34.306 -17.430  -2.864
  220    HD3  LYS  26           HD1      LYS  26  34.328 -18.845  -3.921
  221    HE2  LYS  26           HE2      LYS  26  35.028 -16.041  -4.821
  222    HE3  LYS  26           HE1      LYS  26  36.218 -17.253  -4.348
  223    HZ1  LYS  26           HZ1      LYS  26  35.800 -18.519  -6.183
  224    HZ2  LYS  26           HZ2      LYS  26  35.498 -16.978  -6.831
  225    HZ3  LYS  26           HZ3      LYS  26  34.205 -17.972  -6.354
  Start of MODEL    8
    1    H1   FME   1           HN       FME   1  12.495  13.668  12.471
    2    HCN  FME   1           HCN      FME   1  12.961  13.610  14.792
    3    HA   FME   1           HA       FME   1  13.861  11.142  12.322
    4    HB2  FME   1           HB2      FME   1  11.434  10.668  13.076
    5    HB3  FME   1           HB1      FME   1  10.980  11.145  11.442
    6    HG2  FME   1           HG2      FME   1  12.340   9.384  10.484
    7    HG3  FME   1           HG1      FME   1  13.016   8.984  12.063
    8    HE1  FME   1           HE1      FME   1  11.709   6.673  10.274
    9    HE2  FME   1           HE2      FME   1  11.026   5.836  11.666
   10    HE3  FME   1           HE3      FME   1  12.580   6.654  11.812
   11    H    ALA   2           HN       ALA   2  13.267  14.018  11.170
   12    HA   ALA   2           HA       ALA   2  12.753  13.709   8.417
   13    HB1  ALA   2           HB1      ALA   2  12.715  15.888   9.620
   14    HB2  ALA   2           HB2      ALA   2  13.708  15.936   8.164
   15    HB3  ALA   2           HB3      ALA   2  14.472  15.818   9.749
   16    H    GLN   3           HN       GLN   3  15.859  13.971  10.150
   17    HA   GLN   3           HA       GLN   3  17.553  13.668   7.948
   18    HB2  GLN   3           HB2      GLN   3  17.724  13.279  10.885
   19    HB3  GLN   3           HB1      GLN   3  19.000  12.543   9.933
   20    HG2  GLN   3           HG2      GLN   3  19.622  14.818  10.622
   21    HG3  GLN   3           HG1      GLN   3  19.431  14.732   8.876
   22   HE21  GLN   3          HE21      GLN   3  18.610  16.781   8.331
   23   HE22  GLN   3          HE22      GLN   3  17.230  17.469   9.041
   24    H    ASP   4           HN       ASP   4  16.193  11.247  10.127
   25    HA   ASP   4           HA       ASP   4  17.408   8.977   9.058
   26    HB2  ASP   4           HB2      ASP   4  16.170   8.961  11.159
   27    HB3  ASP   4           HB1      ASP   4  14.670   9.242  10.285
   28    H    ILE   5           HN       ILE   5  14.399  10.608   8.099
   29    HA   ILE   5           HA       ILE   5  13.600   8.703   6.172
   30    HB   ILE   5           HB       ILE   5  13.054  11.657   6.391
   31   HG12  ILE   5          HG12      ILE   5  11.211   9.303   6.828
   32   HG13  ILE   5          HG11      ILE   5  12.160  10.016   8.128
   33   HG21  ILE   5          HG21      ILE   5  12.025   9.596   4.430
   34   HG22  ILE   5          HG22      ILE   5  12.750  11.163   4.072
   35   HG23  ILE   5          HG23      ILE   5  11.141  11.080   4.784
   36   HD11  ILE   5          HD11      ILE   5  11.122  12.232   7.612
   37   HD12  ILE   5          HD12      ILE   5   9.940  11.026   8.121
   38   HD13  ILE   5          HD13      ILE   5  10.103  11.436   6.414
   39    H    ILE   6           HN       ILE   6  15.593  11.627   5.930
   40    HA   ILE   6           HA       ILE   6  16.086  11.337   3.120
   41    HB   ILE   6           HB       ILE   6  17.666  12.873   5.198
   42   HG12  ILE   6          HG12      ILE   6  15.343  13.610   5.207
   43   HG13  ILE   6          HG11      ILE   6  16.319  14.825   4.392
   44   HG21  ILE   6          HG21      ILE   6  17.502  13.121   2.178
   45   HG22  ILE   6          HG22      ILE   6  18.891  12.545   3.100
   46   HG23  ILE   6          HG23      ILE   6  18.375  14.225   3.240
   47   HD11  ILE   6          HD11      ILE   6  14.341  12.884   3.227
   48   HD12  ILE   6          HD12      ILE   6  15.649  13.495   2.216
   49   HD13  ILE   6          HD13      ILE   6  14.501  14.617   2.940
   50    H    SER   7           HN       SER   7  17.532  10.113   6.038
   51    HA   SER   7           HA       SER   7  19.963   9.211   4.768
   52    HB2  SER   7           HB2      SER   7  19.531   9.769   7.288
   53    HB3  SER   7           HB1      SER   7  18.951   8.111   7.360
   54    HG   SER   7           HG       SER   7  21.340   8.545   6.014
   55    H    THR   8           HN       THR   8  16.818   7.895   5.529
   56    HA   THR   8           HA       THR   8  17.311   5.155   5.217
   57    HB   THR   8           HB       THR   8  14.817   6.740   4.646
   58    HG1  THR   8           HG1      THR   8  15.514   5.220   6.923
   59   HG21  THR   8          HG21      THR   8  15.320   3.779   4.951
   60   HG22  THR   8          HG22      THR   8  14.549   4.612   3.602
   61   HG23  THR   8          HG23      THR   8  13.722   4.496   5.154
   62    H    ILE   9           HN       ILE   9  16.300   7.565   2.815
   63    HA   ILE   9           HA       ILE   9  15.913   5.841   0.645
   64    HB   ILE   9           HB       ILE   9  16.625   7.953  -0.705
   65   HG12  ILE   9          HG12      ILE   9  16.522   9.105   2.078
   66   HG13  ILE   9          HG11      ILE   9  17.965   8.982   1.081
   67   HG21  ILE   9          HG21      ILE   9  14.381   8.177   1.316
   68   HG22  ILE   9          HG22      ILE   9  14.275   7.278  -0.195
   69   HG23  ILE   9          HG23      ILE   9  14.477   9.027  -0.225
   70   HD11  ILE   9          HD11      ILE   9  15.523  10.686   0.613
   71   HD12  ILE   9          HD12      ILE   9  16.686  10.340  -0.667
   72   HD13  ILE   9          HD13      ILE   9  17.201  11.204   0.782
   73    H    GLY  10           HN       GLY  10  18.835   7.608   1.571
   74    HA2  GLY  10           HA2      GLY  10  20.490   6.556  -0.457
   75    HA3  GLY  10           HA1      GLY  10  21.063   7.246   1.066
   76    H    ASP  11           HN       ASP  11  19.693   5.395   2.801
   77    HA   ASP  11           HA       ASP  11  21.585   3.342   2.993
   78    HB2  ASP  11           HB2      ASP  11  19.909   4.084   4.774
   79    HB3  ASP  11           HB1      ASP  11  18.728   3.099   3.916
   80    H    LEU  12           HN       LEU  12  18.374   3.411   1.523
   81    HA   LEU  12           HA       LEU  12  18.341   0.736   0.586
   82    HB2  LEU  12           HB2      LEU  12  16.303   2.037   0.757
   83    HB3  LEU  12           HB1      LEU  12  16.897   3.209  -0.419
   84    HG   LEU  12           HG       LEU  12  16.962   0.380  -1.376
   85   HD11  LEU  12          HD11      LEU  12  14.300   1.754  -0.906
   86   HD12  LEU  12          HD12      LEU  12  14.871   0.304  -0.081
   87   HD13  LEU  12          HD13      LEU  12  14.542   0.259  -1.811
   88   HD21  LEU  12          HD21      LEU  12  15.769   2.918  -2.544
   89   HD22  LEU  12          HD22      LEU  12  16.056   1.409  -3.411
   90   HD23  LEU  12          HD23      LEU  12  17.418   2.359  -2.820
   91    H    VAL  13           HN       VAL  13  19.549   3.766  -0.859
   92    HA   VAL  13           HA       VAL  13  20.023   2.724  -3.431
   93    HB   VAL  13           HB       VAL  13  21.485   4.869  -1.899
   94   HG11  VAL  13          HG11      VAL  13  22.181   5.583  -4.250
   95   HG12  VAL  13          HG12      VAL  13  21.668   3.982  -4.785
   96   HG13  VAL  13          HG13      VAL  13  22.981   4.144  -3.618
   97   HG21  VAL  13          HG21      VAL  13  20.087   6.404  -3.090
   98   HG22  VAL  13          HG22      VAL  13  19.014   5.160  -2.450
   99   HG23  VAL  13          HG23      VAL  13  19.482   5.129  -4.151
  100    H    LYS  14           HN       LYS  14  22.101   2.888  -0.561
  101    HA   LYS  14           HA       LYS  14  24.290   1.532  -1.768
  102    HB2  LYS  14           HB2      LYS  14  23.558   2.337   1.028
  103    HB3  LYS  14           HB1      LYS  14  24.868   1.179   0.800
  104    HG2  LYS  14           HG2      LYS  14  25.794   3.436   0.877
  105    HG3  LYS  14           HG1      LYS  14  25.980   2.791  -0.752
  106    HD2  LYS  14           HD2      LYS  14  24.017   4.031  -1.508
  107    HD3  LYS  14           HD1      LYS  14  23.721   4.603   0.133
  108    HE2  LYS  14           HE2      LYS  14  24.846   6.371  -1.059
  109    HE3  LYS  14           HE1      LYS  14  25.998   5.679   0.088
  110    HZ1  LYS  14           HZ1      LYS  14  26.836   6.038  -2.240
  111    HZ2  LYS  14           HZ2      LYS  14  25.804   4.778  -2.728
  112    HZ3  LYS  14           HZ3      LYS  14  27.054   4.476  -1.618
  113    H    TRP  15           HN       TRP  15  21.607   0.425   0.292
  114    HA   TRP  15           HA       TRP  15  22.435  -2.166   0.745
  115    HB2  TRP  15           HB2      TRP  15  20.049  -0.605   0.944
  116    HB3  TRP  15           HB1      TRP  15  19.616  -2.163   0.325
  117    HD1  TRP  15           HD1      TRP  15  21.555  -0.543   3.174
  118    HE1  TRP  15           HE1      TRP  15  21.425  -2.079   5.261
  119    HE3  TRP  15           HE3      TRP  15  19.149  -4.475   1.132
  120    HZ2  TRP  15           HZ2      TRP  15  20.410  -4.695   5.933
  121    HZ3  TRP  15           HZ3      TRP  15  18.600  -6.498   2.474
  122    HH2  TRP  15           HH2      TRP  15  19.232  -6.609   4.873
  123    H    ILE  16           HN       ILE  16  20.933  -0.735  -2.111
  124    HA   ILE  16           HA       ILE  16  20.439  -3.172  -3.494
  125    HB   ILE  16           HB       ILE  16  20.853  -0.361  -4.478
  126   HG12  ILE  16          HG12      ILE  16  18.344  -2.043  -4.409
  127   HG13  ILE  16          HG11      ILE  16  18.820  -1.004  -3.068
  128   HG21  ILE  16          HG21      ILE  16  20.185  -2.896  -5.979
  129   HG22  ILE  16          HG22      ILE  16  21.442  -1.715  -6.347
  130   HG23  ILE  16          HG23      ILE  16  19.746  -1.302  -6.595
  131   HD11  ILE  16          HD11      ILE  16  18.642   0.092  -5.874
  132   HD12  ILE  16          HD12      ILE  16  18.570   0.963  -4.341
  133   HD13  ILE  16          HD13      ILE  16  17.207  -0.029  -4.858
  134    H    ILE  17           HN       ILE  17  23.173  -0.929  -3.479
  135    HA   ILE  17           HA       ILE  17  24.726  -2.297  -5.407
  136    HB   ILE  17           HB       ILE  17  25.529  -0.469  -3.145
  137   HG12  ILE  17          HG12      ILE  17  25.375   0.075  -6.121
  138   HG13  ILE  17          HG11      ILE  17  24.054   0.433  -5.006
  139   HG21  ILE  17          HG21      ILE  17  27.121  -1.622  -5.444
  140   HG22  ILE  17          HG22      ILE  17  27.475  -1.758  -3.722
  141   HG23  ILE  17          HG23      ILE  17  27.639  -0.202  -4.536
  142   HD11  ILE  17          HD11      ILE  17  25.703   1.807  -3.653
  143   HD12  ILE  17          HD12      ILE  17  25.331   2.459  -5.248
  144   HD13  ILE  17          HD13      ILE  17  26.849   1.603  -4.977
  145    H    ASP  18           HN       ASP  18  24.510  -2.449  -1.919
  146    HA   ASP  18           HA       ASP  18  26.582  -4.296  -1.463
  147    HB2  ASP  18           HB2      ASP  18  25.280  -2.876   0.233
  148    HB3  ASP  18           HB1      ASP  18  24.035  -4.121   0.150
  149    H    THR  19           HN       THR  19  23.223  -4.661  -2.430
  150    HA   THR  19           HA       THR  19  23.097  -7.485  -2.007
  151    HB   THR  19           HB       THR  19  21.383  -5.852  -3.861
  152    HG1  THR  19           HG1      THR  19  20.597  -4.979  -2.144
  153   HG21  THR  19          HG21      THR  19  20.996  -8.465  -2.386
  154   HG22  THR  19          HG22      THR  19  21.102  -8.246  -4.132
  155   HG23  THR  19          HG23      THR  19  19.712  -7.618  -3.249
  156    H    VAL  20           HN       VAL  20  23.604  -5.468  -4.891
  157    HA   VAL  20           HA       VAL  20  23.824  -7.608  -6.722
  158    HB   VAL  20           HB       VAL  20  24.965  -4.823  -6.811
  159   HG11  VAL  20          HG11      VAL  20  25.035  -5.314  -9.316
  160   HG12  VAL  20          HG12      VAL  20  24.832  -7.014  -8.890
  161   HG13  VAL  20          HG13      VAL  20  26.257  -6.132  -8.343
  162   HG21  VAL  20          HG21      VAL  20  22.565  -4.775  -6.766
  163   HG22  VAL  20          HG22      VAL  20  22.459  -6.116  -7.906
  164   HG23  VAL  20          HG23      VAL  20  23.041  -4.543  -8.448
  165    H    ASN  21           HN       ASN  21  26.203  -5.824  -4.823
  166    HA   ASN  21           HA       ASN  21  28.525  -7.049  -5.825
  167    HB2  ASN  21           HB2      ASN  21  28.558  -5.039  -4.425
  168    HB3  ASN  21           HB1      ASN  21  27.990  -5.989  -3.058
  169   HD21  ASN  21          HD21      ASN  21  30.690  -4.563  -3.807
  170   HD22  ASN  21          HD22      ASN  21  31.846  -5.741  -3.397
  171    H    LYS  22           HN       LYS  22  26.333  -7.955  -3.204
  172    HA   LYS  22           HA       LYS  22  27.875 -10.352  -2.580
  173    HB2  LYS  22           HB2      LYS  22  25.328  -9.215  -1.454
  174    HB3  LYS  22           HB1      LYS  22  26.038 -10.736  -0.910
  175    HG2  LYS  22           HG2      LYS  22  28.180  -9.444  -0.459
  176    HG3  LYS  22           HG1      LYS  22  27.261  -7.969  -0.749
  177    HD2  LYS  22           HD2      LYS  22  26.494 -10.063   1.303
  178    HD3  LYS  22           HD1      LYS  22  27.415  -8.607   1.679
  179    HE2  LYS  22           HE2      LYS  22  25.471  -7.310   0.598
  180    HE3  LYS  22           HE1      LYS  22  24.564  -8.815   0.707
  181    HZ1  LYS  22           HZ1      LYS  22  24.161  -7.498   2.652
  182    HZ2  LYS  22           HZ2      LYS  22  25.826  -7.348   2.957
  183    HZ3  LYS  22           HZ3      LYS  22  25.067  -8.862   3.095
  184    H    PHE  23           HN       PHE  23  26.258  -9.810  -5.181
  185    HA   PHE  23           HA       PHE  23  24.114 -11.638  -5.255
  186    HB2  PHE  23           HB2      PHE  23  24.400  -9.955  -6.984
  187    HB3  PHE  23           HB1      PHE  23  25.916 -10.705  -7.479
  188    HD1  PHE  23           HD2      PHE  23  22.274 -11.423  -7.045
  189    HD2  PHE  23           HD1      PHE  23  25.922 -12.458  -9.065
  190    HE1  PHE  23           HE2      PHE  23  21.022 -12.988  -8.504
  191    HE2  PHE  23           HE1      PHE  23  24.670 -14.025 -10.523
  192    HZ   PHE  23           HZ       PHE  23  22.219 -14.289 -10.242
  193    H    THR  24           HN       THR  24  27.552 -12.079  -5.419
  194    HA   THR  24           HA       THR  24  27.426 -14.736  -6.536
  195    HB   THR  24           HB       THR  24  29.805 -13.642  -5.048
  196    HG1  THR  24           HG1      THR  24  29.677 -13.051  -7.711
  197   HG21  THR  24          HG21      THR  24  29.838 -15.945  -6.023
  198   HG22  THR  24          HG22      THR  24  31.038 -14.877  -6.751
  199   HG23  THR  24          HG23      THR  24  29.542 -15.240  -7.612
  200    H    LYS  25           HN       LYS  25  25.950 -14.035  -4.049
  201    HA   LYS  25           HA       LYS  25  27.012 -16.185  -2.310
  202    HB2  LYS  25           HB2      LYS  25  25.598 -13.665  -1.409
  203    HB3  LYS  25           HB1      LYS  25  26.208 -14.948  -0.368
  204    HG2  LYS  25           HG2      LYS  25  27.938 -13.273  -2.212
  205    HG3  LYS  25           HG1      LYS  25  27.740 -12.973  -0.487
  206    HD2  LYS  25           HD2      LYS  25  28.500 -15.437  -0.181
  207    HD3  LYS  25           HD1      LYS  25  29.070 -15.319  -1.847
  208    HE2  LYS  25           HE2      LYS  25  29.872 -13.424   0.379
  209    HE3  LYS  25           HE1      LYS  25  30.853 -14.769  -0.203
  210    HZ1  LYS  25           HZ1      LYS  25  31.658 -13.076  -1.477
  211    HZ2  LYS  25           HZ2      LYS  25  30.175 -12.247  -1.535
  212    HZ3  LYS  25           HZ3      LYS  25  30.419 -13.628  -2.494
  213    H    LYS  26           HN       LYS  26  25.545 -17.603  -1.463
  214    HA   LYS  26           HA       LYS  26  23.144 -18.036  -2.886
  215    HB2  LYS  26           HB2      LYS  26  24.139 -19.152  -0.257
  216    HB3  LYS  26           HB1      LYS  26  22.690 -19.728  -1.086
  217    HG2  LYS  26           HG2      LYS  26  24.040 -20.287  -3.064
  218    HG3  LYS  26           HG1      LYS  26  25.489 -19.691  -2.250
  219    HD2  LYS  26           HD2      LYS  26  25.177 -21.378  -0.470
  220    HD3  LYS  26           HD1      LYS  26  23.747 -21.988  -1.307
  221    HE2  LYS  26           HE2      LYS  26  25.123 -22.531  -3.273
  222    HE3  LYS  26           HE1      LYS  26  26.551 -21.913  -2.446
  223    HZ1  LYS  26           HZ1      LYS  26  25.153 -24.416  -2.092
  224    HZ2  LYS  26           HZ2      LYS  26  25.572 -23.636  -0.643
  225    HZ3  LYS  26           HZ3      LYS  26  26.773 -24.024  -1.779
  Start of MODEL    9
    1    H1   FME   1           HN       FME   1  11.399  14.027  11.774
    2    HCN  FME   1           HCN      FME   1  13.022  15.874  12.008
    3    HA   FME   1           HA       FME   1  13.672  12.303  11.659
    4    HB2  FME   1           HB2      FME   1  10.908  12.111  10.452
    5    HB3  FME   1           HB1      FME   1  12.120  10.835  10.319
    6    HG2  FME   1           HG2      FME   1  11.240  11.986  12.976
    7    HG3  FME   1           HG1      FME   1  10.475  10.577  12.243
    8    HE1  FME   1           HE1      FME   1  11.047   8.394  13.217
    9    HE2  FME   1           HE2      FME   1  11.048   9.515  14.576
   10    HE3  FME   1           HE3      FME   1  12.300   8.280  14.460
   11    H    ALA   2           HN       ALA   2  13.739  14.920  10.197
   12    HA   ALA   2           HA       ALA   2  13.653  14.515   7.415
   13    HB1  ALA   2           HB1      ALA   2  13.846  16.754   8.355
   14    HB2  ALA   2           HB2      ALA   2  15.224  16.449   7.298
   15    HB3  ALA   2           HB3      ALA   2  15.418  16.360   9.048
   16    H    GLN   3           HN       GLN   3  16.351  14.182   9.713
   17    HA   GLN   3           HA       GLN   3  18.285  13.368   7.831
   18    HB2  GLN   3           HB2      GLN   3  17.971  13.085  10.793
   19    HB3  GLN   3           HB1      GLN   3  19.288  12.265   9.983
   20    HG2  GLN   3           HG2      GLN   3  18.736  15.216   9.714
   21    HG3  GLN   3           HG1      GLN   3  19.884  14.543  10.865
   22   HE21  GLN   3          HE21      GLN   3  19.865  16.020   7.939
   23   HE22  GLN   3          HE22      GLN   3  21.194  15.257   7.207
   24    H    ASP   4           HN       ASP   4  16.322  11.470  10.073
   25    HA   ASP   4           HA       ASP   4  17.128   8.924   9.298
   26    HB2  ASP   4           HB2      ASP   4  15.804   9.298  11.287
   27    HB3  ASP   4           HB1      ASP   4  14.448   9.858  10.315
   28    H    ILE   5           HN       ILE   5  14.429  10.880   8.026
   29    HA   ILE   5           HA       ILE   5  13.504   8.951   6.182
   30    HB   ILE   5           HB       ILE   5  13.292  11.954   6.207
   31   HG12  ILE   5          HG12      ILE   5  11.157   9.863   6.662
   32   HG13  ILE   5          HG11      ILE   5  12.143  10.492   7.979
   33   HG21  ILE   5          HG21      ILE   5  11.409  11.506   4.533
   34   HG22  ILE   5          HG22      ILE   5  12.122   9.907   4.313
   35   HG23  ILE   5          HG23      ILE   5  13.050  11.350   3.906
   36   HD11  ILE   5          HD11      ILE   5  11.404  12.781   7.457
   37   HD12  ILE   5          HD12      ILE   5  10.016  11.740   7.772
   38   HD13  ILE   5          HD13      ILE   5  10.438  12.169   6.114
   39    H    ILE   6           HN       ILE   6  15.850  11.589   5.881
   40    HA   ILE   6           HA       ILE   6  16.425  11.116   3.123
   41    HB   ILE   6           HB       ILE   6  17.950  12.562   5.299
   42   HG12  ILE   6          HG12      ILE   6  16.490  13.652   2.880
   43   HG13  ILE   6          HG11      ILE   6  15.696  13.432   4.440
   44   HG21  ILE   6          HG21      ILE   6  19.168  13.568   3.278
   45   HG22  ILE   6          HG22      ILE   6  18.526  12.212   2.349
   46   HG23  ILE   6          HG23      ILE   6  19.610  11.915   3.708
   47   HD11  ILE   6          HD11      ILE   6  16.490  15.722   4.303
   48   HD12  ILE   6          HD12      ILE   6  18.106  15.176   3.854
   49   HD13  ILE   6          HD13      ILE   6  17.487  14.861   5.475
   50    H    SER   7           HN       SER   7  17.648   9.878   6.165
   51    HA   SER   7           HA       SER   7  19.948   8.566   5.085
   52    HB2  SER   7           HB2      SER   7  19.413   9.172   7.560
   53    HB3  SER   7           HB1      SER   7  18.531   7.651   7.564
   54    HG   SER   7           HG       SER   7  20.542   6.741   6.671
   55    H    THR   8           HN       THR   8  16.599   7.665   5.643
   56    HA   THR   8           HA       THR   8  16.802   4.895   5.265
   57    HB   THR   8           HB       THR   8  14.511   6.765   4.699
   58    HG1  THR   8           HG1      THR   8  15.406   5.308   6.931
   59   HG21  THR   8          HG21      THR   8  13.160   4.637   5.060
   60   HG22  THR   8          HG22      THR   8  14.678   3.756   4.874
   61   HG23  THR   8          HG23      THR   8  14.052   4.725   3.540
   62    H    ILE   9           HN       ILE   9  16.077   7.453   2.884
   63    HA   ILE   9           HA       ILE   9  15.703   5.723   0.681
   64    HB   ILE   9           HB       ILE   9  16.390   7.820  -0.650
   65   HG12  ILE   9          HG12      ILE   9  16.420   8.967   2.137
   66   HG13  ILE   9          HG11      ILE   9  17.781   8.899   1.026
   67   HG21  ILE   9          HG21      ILE   9  14.034   7.151  -0.017
   68   HG22  ILE   9          HG22      ILE   9  14.262   8.884  -0.222
   69   HG23  ILE   9          HG23      ILE   9  14.197   8.190   1.396
   70   HD11  ILE   9          HD11      ILE   9  16.281  10.246  -0.588
   71   HD12  ILE   9          HD12      ILE   9  16.973  11.100   0.792
   72   HD13  ILE   9          HD13      ILE   9  15.290  10.578   0.832
   73    H    GLY  10           HN       GLY  10  18.570   7.504   1.714
   74    HA2  GLY  10           HA2      GLY  10  20.305   6.503  -0.270
   75    HA3  GLY  10           HA1      GLY  10  20.815   7.165   1.287
   76    H    ASP  11           HN       ASP  11  19.338   5.259   2.891
   77    HA   ASP  11           HA       ASP  11  21.240   3.217   3.163
   78    HB2  ASP  11           HB2      ASP  11  19.451   3.920   4.852
   79    HB3  ASP  11           HB1      ASP  11  18.334   2.939   3.909
   80    H    LEU  12           HN       LEU  12  18.120   3.307   1.515
   81    HA   LEU  12           HA       LEU  12  18.136   0.651   0.547
   82    HB2  LEU  12           HB2      LEU  12  16.081   1.944   0.601
   83    HB3  LEU  12           HB1      LEU  12  16.753   3.146  -0.499
   84    HG   LEU  12           HG       LEU  12  16.909   1.450  -2.277
   85   HD11  LEU  12          HD11      LEU  12  15.641  -0.778  -1.726
   86   HD12  LEU  12          HD12      LEU  12  16.015  -0.379  -0.049
   87   HD13  LEU  12          HD13      LEU  12  17.318  -0.607  -1.214
   88   HD21  LEU  12          HD21      LEU  12  14.180   1.373  -0.964
   89   HD22  LEU  12          HD22      LEU  12  14.535   1.182  -2.680
   90   HD23  LEU  12          HD23      LEU  12  14.789   2.741  -1.896
   91    H    VAL  13           HN       VAL  13  19.408   3.707  -0.772
   92    HA   VAL  13           HA       VAL  13  20.061   2.739  -3.330
   93    HB   VAL  13           HB       VAL  13  21.436   4.828  -1.649
   94   HG11  VAL  13          HG11      VAL  13  21.738   4.064  -4.552
   95   HG12  VAL  13          HG12      VAL  13  23.000   4.162  -3.324
   96   HG13  VAL  13          HG13      VAL  13  22.236   5.634  -3.923
   97   HG21  VAL  13          HG21      VAL  13  19.546   5.201  -3.973
   98   HG22  VAL  13          HG22      VAL  13  20.071   6.409  -2.801
   99   HG23  VAL  13          HG23      VAL  13  18.979   5.114  -2.305
  100    H    LYS  14           HN       LYS  14  21.980   2.822  -0.333
  101    HA   LYS  14           HA       LYS  14  24.229   1.503  -1.463
  102    HB2  LYS  14           HB2      LYS  14  23.352   2.216   1.320
  103    HB3  LYS  14           HB1      LYS  14  24.664   1.049   1.125
  104    HG2  LYS  14           HG2      LYS  14  25.564   3.336   1.325
  105    HG3  LYS  14           HG1      LYS  14  25.902   2.671  -0.273
  106    HD2  LYS  14           HD2      LYS  14  24.029   3.901  -1.233
  107    HD3  LYS  14           HD1      LYS  14  23.564   4.488   0.363
  108    HE2  LYS  14           HE2      LYS  14  24.801   6.251  -0.711
  109    HE3  LYS  14           HE1      LYS  14  25.845   5.563   0.534
  110    HZ1  LYS  14           HZ1      LYS  14  25.899   4.695  -2.300
  111    HZ2  LYS  14           HZ2      LYS  14  27.019   4.318  -1.078
  112    HZ3  LYS  14           HZ3      LYS  14  26.915   5.904  -1.681
  113    H    TRP  15           HN       TRP  15  21.448   0.350   0.410
  114    HA   TRP  15           HA       TRP  15  22.232  -2.274   0.774
  115    HB2  TRP  15           HB2      TRP  15  19.858  -0.689   0.993
  116    HB3  TRP  15           HB1      TRP  15  19.426  -2.213   0.289
  117    HD1  TRP  15           HD1      TRP  15  21.322  -0.754   3.258
  118    HE1  TRP  15           HE1      TRP  15  21.134  -2.396   5.259
  119    HE3  TRP  15           HE3      TRP  15  18.917  -4.563   0.973
  120    HZ2  TRP  15           HZ2      TRP  15  20.090  -5.019   5.781
  121    HZ3  TRP  15           HZ3      TRP  15  18.330  -6.645   2.209
  122    HH2  TRP  15           HH2      TRP  15  18.920  -6.873   4.609
  123    H    ILE  16           HN       ILE  16  20.812  -0.689  -2.048
  124    HA   ILE  16           HA       ILE  16  20.337  -3.068  -3.532
  125    HB   ILE  16           HB       ILE  16  20.756  -0.218  -4.397
  126   HG12  ILE  16          HG12      ILE  16  18.258  -1.914  -4.474
  127   HG13  ILE  16          HG11      ILE  16  18.695  -0.961  -3.060
  128   HG21  ILE  16          HG21      ILE  16  20.144  -2.698  -6.008
  129   HG22  ILE  16          HG22      ILE  16  21.400  -1.496  -6.302
  130   HG23  ILE  16          HG23      ILE  16  19.706  -1.087  -6.573
  131   HD11  ILE  16          HD11      ILE  16  18.693   1.086  -4.388
  132   HD12  ILE  16          HD12      ILE  16  17.149   0.259  -4.592
  133   HD13  ILE  16          HD13      ILE  16  18.376   0.162  -5.856
  134    H    ILE  17           HN       ILE  17  23.071  -0.837  -3.381
  135    HA   ILE  17           HA       ILE  17  24.651  -2.136  -5.331
  136    HB   ILE  17           HB       ILE  17  25.406  -0.387  -2.999
  137   HG12  ILE  17          HG12      ILE  17  25.349   0.250  -5.955
  138   HG13  ILE  17          HG11      ILE  17  23.984   0.559  -4.878
  139   HG21  ILE  17          HG21      ILE  17  27.068  -1.479  -5.280
  140   HG22  ILE  17          HG22      ILE  17  27.373  -1.655  -3.552
  141   HG23  ILE  17          HG23      ILE  17  27.556  -0.080  -4.323
  142   HD11  ILE  17          HD11      ILE  17  26.782   1.693  -4.588
  143   HD12  ILE  17          HD12      ILE  17  25.470   1.945  -3.439
  144   HD13  ILE  17          HD13      ILE  17  25.340   2.585  -5.076
  145    H    ASP  18           HN       ASP  18  24.405  -2.436  -1.840
  146    HA   ASP  18           HA       ASP  18  26.484  -4.280  -1.433
  147    HB2  ASP  18           HB2      ASP  18  25.135  -2.989   0.313
  148    HB3  ASP  18           HB1      ASP  18  23.883  -4.215   0.106
  149    H    THR  19           HN       THR  19  23.142  -4.654  -2.480
  150    HA   THR  19           HA       THR  19  23.017  -7.486  -2.217
  151    HB   THR  19           HB       THR  19  21.440  -5.652  -4.008
  152    HG1  THR  19           HG1      THR  19  20.300  -5.272  -2.297
  153   HG21  THR  19          HG21      THR  19  21.140  -8.557  -3.246
  154   HG22  THR  19          HG22      THR  19  21.181  -7.854  -4.863
  155   HG23  THR  19          HG23      THR  19  19.779  -7.597  -3.826
  156    H    VAL  20           HN       VAL  20  23.662  -5.372  -5.002
  157    HA   VAL  20           HA       VAL  20  24.059  -7.461  -6.864
  158    HB   VAL  20           HB       VAL  20  25.093  -4.632  -6.842
  159   HG11  VAL  20          HG11      VAL  20  26.504  -5.871  -8.327
  160   HG12  VAL  20          HG12      VAL  20  25.304  -5.076  -9.347
  161   HG13  VAL  20          HG13      VAL  20  25.139  -6.788  -8.961
  162   HG21  VAL  20          HG21      VAL  20  23.217  -4.143  -8.254
  163   HG22  VAL  20          HG22      VAL  20  22.581  -5.062  -6.891
  164   HG23  VAL  20          HG23      VAL  20  22.837  -5.854  -8.445
  165    H    ASN  21           HN       ASN  21  26.251  -5.629  -4.792
  166    HA   ASN  21           HA       ASN  21  28.675  -6.725  -5.694
  167    HB2  ASN  21           HB2      ASN  21  28.534  -4.751  -4.249
  168    HB3  ASN  21           HB1      ASN  21  27.950  -5.766  -2.936
  169   HD21  ASN  21          HD21      ASN  21  30.597  -4.183  -3.483
  170   HD22  ASN  21          HD22      ASN  21  31.796  -5.313  -3.063
  171    H    LYS  22           HN       LYS  22  26.394  -7.793  -3.207
  172    HA   LYS  22           HA       LYS  22  28.013 -10.055  -2.437
  173    HB2  LYS  22           HB2      LYS  22  25.195  -9.239  -1.757
  174    HB3  LYS  22           HB1      LYS  22  25.950 -10.707  -1.157
  175    HG2  LYS  22           HG2      LYS  22  27.589  -9.506   0.055
  176    HG3  LYS  22           HG1      LYS  22  27.271  -8.013  -0.831
  177    HD2  LYS  22           HD2      LYS  22  26.309  -8.087   1.520
  178    HD3  LYS  22           HD1      LYS  22  25.145  -7.722   0.249
  179    HE2  LYS  22           HE2      LYS  22  24.133  -9.825   0.388
  180    HE3  LYS  22           HE1      LYS  22  25.562 -10.576   1.086
  181    HZ1  LYS  22           HZ1      LYS  22  23.625  -8.771   2.400
  182    HZ2  LYS  22           HZ2      LYS  22  25.155  -9.089   3.066
  183    HZ3  LYS  22           HZ3      LYS  22  24.044 -10.354   2.838
  184    H    PHE  23           HN       PHE  23  25.689  -9.406  -4.886
  185    HA   PHE  23           HA       PHE  23  24.631 -12.010  -5.220
  186    HB2  PHE  23           HB2      PHE  23  23.563 -10.045  -6.206
  187    HB3  PHE  23           HB1      PHE  23  24.962  -9.812  -7.251
  188    HD1  PHE  23           HD2      PHE  23  22.308 -12.276  -6.356
  189    HD2  PHE  23           HD1      PHE  23  25.141 -10.974  -9.311
  190    HE1  PHE  23           HE2      PHE  23  21.354 -13.889  -7.981
  191    HE2  PHE  23           HE1      PHE  23  24.188 -12.588 -10.935
  192    HZ   PHE  23           HZ       PHE  23  22.295 -14.044 -10.270
  193    H    THR  24           HN       THR  24  27.588 -10.483  -6.238
  194    HA   THR  24           HA       THR  24  28.267 -12.569  -8.138
  195    HB   THR  24           HB       THR  24  30.489 -11.317  -8.171
  196    HG1  THR  24           HG1      THR  24  29.502 -10.300  -6.005
  197   HG21  THR  24          HG21      THR  24  28.746 -10.925  -9.848
  198   HG22  THR  24          HG22      THR  24  29.518  -9.400  -9.412
  199   HG23  THR  24          HG23      THR  24  27.929  -9.802  -8.761
  200    H    LYS  25           HN       LYS  25  27.803 -13.155  -5.254
  201    HA   LYS  25           HA       LYS  25  30.444 -14.227  -4.498
  202    HB2  LYS  25           HB2      LYS  25  29.344 -12.795  -2.824
  203    HB3  LYS  25           HB1      LYS  25  27.945 -13.860  -2.833
  204    HG2  LYS  25           HG2      LYS  25  29.281 -14.440  -0.922
  205    HG3  LYS  25           HG1      LYS  25  29.485 -15.734  -2.097
  206    HD2  LYS  25           HD2      LYS  25  31.641 -14.952  -2.736
  207    HD3  LYS  25           HD1      LYS  25  31.402 -13.400  -1.934
  208    HE2  LYS  25           HE2      LYS  25  31.364 -14.534   0.252
  209    HE3  LYS  25           HE1      LYS  25  31.578 -16.092  -0.551
  210    HZ1  LYS  25           HZ1      LYS  25  33.570 -14.433   0.303
  211    HZ2  LYS  25           HZ2      LYS  25  33.527 -14.174  -1.376
  212    HZ3  LYS  25           HZ3      LYS  25  33.745 -15.742  -0.761
  213    H    LYS  26           HN       LYS  26  30.807 -16.343  -4.744
  214    HA   LYS  26           HA       LYS  26  28.996 -18.127  -5.901
  215    HB2  LYS  26           HB2      LYS  26  31.441 -18.665  -4.204
  216    HB3  LYS  26           HB1      LYS  26  30.626 -19.866  -5.211
  217    HG2  LYS  26           HG2      LYS  26  31.035 -18.526  -7.212
  218    HG3  LYS  26           HG1      LYS  26  31.775 -17.253  -6.243
  219    HD2  LYS  26           HD2      LYS  26  32.878 -20.050  -6.084
  220    HD3  LYS  26           HD1      LYS  26  33.294 -19.036  -7.462
  221    HE2  LYS  26           HE2      LYS  26  33.671 -18.199  -4.570
  222    HE3  LYS  26           HE1      LYS  26  34.945 -18.872  -5.583
  223    HZ1  LYS  26           HZ1      LYS  26  34.309 -17.020  -7.198
  224    HZ2  LYS  26           HZ2      LYS  26  35.191 -16.594  -5.810
  225    HZ3  LYS  26           HZ3      LYS  26  33.519 -16.307  -5.878
  Start of MODEL   10
    1    H1   FME   1           HN       FME   1  10.661  12.925  11.750
    2    HCN  FME   1           HCN      FME   1  13.093  13.688  12.987
    3    HA   FME   1           HA       FME   1  13.143  11.525  11.579
    4    HB2  FME   1           HB2      FME   1  10.705  10.968   9.891
    5    HB3  FME   1           HB1      FME   1  11.927   9.828  10.460
    6    HG2  FME   1           HG2      FME   1  11.183  10.439  12.831
    7    HG3  FME   1           HG1      FME   1   9.792  11.224  12.081
    8    HE1  FME   1           HE1      FME   1   8.391  10.107  10.266
    9    HE2  FME   1           HE2      FME   1   7.597   9.977  11.834
   10    HE3  FME   1           HE3      FME   1   7.587   8.601  10.732
   11    H    ALA   2           HN       ALA   2  12.894  14.250  10.345
   12    HA   ALA   2           HA       ALA   2  12.950  14.089   7.541
   13    HB1  ALA   2           HB1      ALA   2  14.388  16.009   9.389
   14    HB2  ALA   2           HB2      ALA   2  12.779  16.230   8.700
   15    HB3  ALA   2           HB3      ALA   2  14.196  16.233   7.649
   16    H    GLN   3           HN       GLN   3  15.595  13.938   9.913
   17    HA   GLN   3           HA       GLN   3  17.659  13.568   8.008
   18    HB2  GLN   3           HB2      GLN   3  17.414  13.018  10.941
   19    HB3  GLN   3           HB1      GLN   3  18.870  12.619  10.062
   20    HG2  GLN   3           HG2      GLN   3  19.075  14.945   9.337
   21    HG3  GLN   3           HG1      GLN   3  17.587  15.344  10.177
   22   HE21  GLN   3          HE21      GLN   3  20.935  15.384  10.523
   23   HE22  GLN   3          HE22      GLN   3  21.013  15.444  12.217
   24    H    ASP   4           HN       ASP   4  16.064  11.250  10.163
   25    HA   ASP   4           HA       ASP   4  17.275   8.933   9.182
   26    HB2  ASP   4           HB2      ASP   4  15.992   8.964  11.252
   27    HB3  ASP   4           HB1      ASP   4  14.513   9.264  10.349
   28    H    ILE   5           HN       ILE   5  14.236  10.491   8.143
   29    HA   ILE   5           HA       ILE   5  13.523   8.523   6.248
   30    HB   ILE   5           HB       ILE   5  12.894  11.465   6.404
   31   HG12  ILE   5          HG12      ILE   5  12.019   9.648   8.112
   32   HG13  ILE   5          HG11      ILE   5  10.909  10.851   7.475
   33   HG21  ILE   5          HG21      ILE   5  12.633  11.003   4.106
   34   HG22  ILE   5          HG22      ILE   5  11.012  10.788   4.768
   35   HG23  ILE   5          HG23      ILE   5  12.016   9.380   4.413
   36   HD11  ILE   5          HD11      ILE   5  10.150   8.370   7.480
   37   HD12  ILE   5          HD12      ILE   5  11.239   8.175   6.110
   38   HD13  ILE   5          HD13      ILE   5   9.891   9.305   6.008
   39    H    ILE   6           HN       ILE   6  15.438  11.496   5.961
   40    HA   ILE   6           HA       ILE   6  15.947  11.185   3.167
   41    HB   ILE   6           HB       ILE   6  17.322  12.808   5.314
   42   HG12  ILE   6          HG12      ILE   6  15.586  13.690   2.992
   43   HG13  ILE   6          HG11      ILE   6  14.928  13.331   4.588
   44   HG21  ILE   6          HG21      ILE   6  18.256  14.038   3.248
   45   HG22  ILE   6          HG22      ILE   6  17.818  12.593   2.336
   46   HG23  ILE   6          HG23      ILE   6  18.993  12.487   3.646
   47   HD11  ILE   6          HD11      ILE   6  17.138  15.340   4.071
   48   HD12  ILE   6          HD12      ILE   6  16.311  15.052   5.602
   49   HD13  ILE   6          HD13      ILE   6  15.436  15.766   4.247
   50    H    SER   7           HN       SER   7  17.441  10.015   6.103
   51    HA   SER   7           HA       SER   7  19.862   9.114   4.811
   52    HB2  SER   7           HB2      SER   7  19.441   9.683   7.337
   53    HB3  SER   7           HB1      SER   7  18.908   8.011   7.419
   54    HG   SER   7           HG       SER   7  21.375   8.873   6.309
   55    H    THR   8           HN       THR   8  16.743   7.764   5.628
   56    HA   THR   8           HA       THR   8  17.278   5.030   5.333
   57    HB   THR   8           HB       THR   8  14.757   6.570   4.747
   58    HG1  THR   8           HG1      THR   8  14.530   5.301   6.964
   59   HG21  THR   8          HG21      THR   8  15.281   3.623   5.147
   60   HG22  THR   8          HG22      THR   8  14.554   4.402   3.743
   61   HG23  THR   8          HG23      THR   8  13.677   4.343   5.270
   62    H    ILE   9           HN       ILE   9  16.168   7.402   2.942
   63    HA   ILE   9           HA       ILE   9  15.888   5.648   0.768
   64    HB   ILE   9           HB       ILE   9  16.384   7.795  -0.586
   65   HG12  ILE   9          HG12      ILE   9  16.315   8.962   2.198
   66   HG13  ILE   9          HG11      ILE   9  17.705   8.947   1.121
   67   HG21  ILE   9          HG21      ILE   9  14.202   7.872   1.512
   68   HG22  ILE   9          HG22      ILE   9  14.115   6.950   0.012
   69   HG23  ILE   9          HG23      ILE   9  14.177   8.707  -0.041
   70   HD11  ILE   9          HD11      ILE   9  16.162  10.176  -0.556
   71   HD12  ILE   9          HD12      ILE   9  16.805  11.090   0.807
   72   HD13  ILE   9          HD13      ILE   9  15.144  10.500   0.850
   73    H    GLY  10           HN       GLY  10  18.660   7.628   1.706
   74    HA2  GLY  10           HA2      GLY  10  20.381   6.718  -0.345
   75    HA3  GLY  10           HA1      GLY  10  20.911   7.449   1.172
   76    H    ASP  11           HN       ASP  11  19.640   5.466   2.875
   77    HA   ASP  11           HA       ASP  11  21.706   3.569   3.056
   78    HB2  ASP  11           HB2      ASP  11  20.013   4.205   4.858
   79    HB3  ASP  11           HB1      ASP  11  18.883   3.150   4.016
   80    H    LEU  12           HN       LEU  12  18.492   3.431   1.577
   81    HA   LEU  12           HA       LEU  12  18.633   0.740   0.707
   82    HB2  LEU  12           HB2      LEU  12  16.496   1.915   0.813
   83    HB3  LEU  12           HB1      LEU  12  17.029   3.071  -0.408
   84    HG   LEU  12           HG       LEU  12  17.222   1.239  -2.066
   85   HD11  LEU  12          HD11      LEU  12  16.103  -1.006  -1.281
   86   HD12  LEU  12          HD12      LEU  12  16.540  -0.452   0.337
   87   HD13  LEU  12          HD13      LEU  12  17.789  -0.704  -0.882
   88   HD21  LEU  12          HD21      LEU  12  14.763   0.578  -2.100
   89   HD22  LEU  12          HD22      LEU  12  15.087   2.308  -2.031
   90   HD23  LEU  12          HD23      LEU  12  14.597   1.446  -0.572
   91    H    VAL  13           HN       VAL  13  19.659   3.814  -0.788
   92    HA   VAL  13           HA       VAL  13  20.187   2.799  -3.353
   93    HB   VAL  13           HB       VAL  13  21.547   4.990  -1.791
   94   HG11  VAL  13          HG11      VAL  13  23.112   4.367  -3.483
   95   HG12  VAL  13          HG12      VAL  13  22.227   5.736  -4.158
   96   HG13  VAL  13          HG13      VAL  13  21.834   4.093  -4.667
   97   HG21  VAL  13          HG21      VAL  13  20.133   6.455  -3.134
   98   HG22  VAL  13          HG22      VAL  13  19.123   5.268  -2.310
   99   HG23  VAL  13          HG23      VAL  13  19.497   5.068  -4.022
  100    H    LYS  14           HN       LYS  14  22.252   3.009  -0.476
  101    HA   LYS  14           HA       LYS  14  24.485   1.730  -1.692
  102    HB2  LYS  14           HB2      LYS  14  23.728   2.497   1.113
  103    HB3  LYS  14           HB1      LYS  14  25.108   1.426   0.857
  104    HG2  LYS  14           HG2      LYS  14  25.987   3.656   0.906
  105    HG3  LYS  14           HG1      LYS  14  26.010   3.165  -0.782
  106    HD2  LYS  14           HD2      LYS  14  23.923   4.394  -1.189
  107    HD3  LYS  14           HD1      LYS  14  23.837   4.836   0.516
  108    HE2  LYS  14           HE2      LYS  14  25.956   6.068   0.320
  109    HE3  LYS  14           HE1      LYS  14  26.075   5.607  -1.382
  110    HZ1  LYS  14           HZ1      LYS  14  24.398   7.603  -0.114
  111    HZ2  LYS  14           HZ2      LYS  14  23.619   6.656  -1.290
  112    HZ3  LYS  14           HZ3      LYS  14  25.011   7.544  -1.695
  113    H    TRP  15           HN       TRP  15  21.897   0.528   0.443
  114    HA   TRP  15           HA       TRP  15  22.832  -2.056   0.798
  115    HB2  TRP  15           HB2      TRP  15  20.417  -0.558   1.197
  116    HB3  TRP  15           HB1      TRP  15  19.996  -2.120   0.602
  117    HD1  TRP  15           HD1      TRP  15  22.117  -0.461   3.297
  118    HE1  TRP  15           HE1      TRP  15  22.201  -2.012   5.375
  119    HE3  TRP  15           HE3      TRP  15  19.658  -4.464   1.437
  120    HZ2  TRP  15           HZ2      TRP  15  21.320  -4.647   6.115
  121    HZ3  TRP  15           HZ3      TRP  15  19.282  -6.510   2.821
  122    HH2  TRP  15           HH2      TRP  15  20.119  -6.597   5.155
  123    H    ILE  16           HN       ILE  16  21.187  -0.573  -1.937
  124    HA   ILE  16           HA       ILE  16  20.522  -2.956  -3.318
  125    HB   ILE  16           HB       ILE  16  20.982  -0.114  -4.167
  126   HG12  ILE  16          HG12      ILE  16  18.868  -1.048  -2.924
  127   HG13  ILE  16          HG11      ILE  16  18.647   0.027  -4.297
  128   HG21  ILE  16          HG21      ILE  16  20.525  -2.526  -5.918
  129   HG22  ILE  16          HG22      ILE  16  21.695  -1.222  -6.123
  130   HG23  ILE  16          HG23      ILE  16  19.983  -0.923  -6.420
  131   HD11  ILE  16          HD11      ILE  16  18.714  -2.962  -4.712
  132   HD12  ILE  16          HD12      ILE  16  17.978  -1.720  -5.720
  133   HD13  ILE  16          HD13      ILE  16  17.237  -2.164  -4.182
  134    H    ILE  17           HN       ILE  17  23.374  -0.842  -3.448
  135    HA   ILE  17           HA       ILE  17  24.754  -2.299  -5.433
  136    HB   ILE  17           HB       ILE  17  25.781  -0.546  -3.202
  137   HG12  ILE  17          HG12      ILE  17  25.527   0.038  -6.163
  138   HG13  ILE  17          HG11      ILE  17  24.271   0.455  -4.993
  139   HG21  ILE  17          HG21      ILE  17  27.824  -0.408  -4.724
  140   HG22  ILE  17          HG22      ILE  17  27.165  -1.806  -5.575
  141   HG23  ILE  17          HG23      ILE  17  27.609  -1.937  -3.874
  142   HD11  ILE  17          HD11      ILE  17  27.139   1.438  -5.011
  143   HD12  ILE  17          HD12      ILE  17  26.004   1.734  -3.693
  144   HD13  ILE  17          HD13      ILE  17  25.687   2.399  -5.296
  145    H    ASP  18           HN       ASP  18  24.675  -2.480  -1.944
  146    HA   ASP  18           HA       ASP  18  26.631  -4.471  -1.586
  147    HB2  ASP  18           HB2      ASP  18  25.550  -2.984   0.171
  148    HB3  ASP  18           HB1      ASP  18  24.163  -4.069   0.107
  149    H    THR  19           HN       THR  19  23.210  -4.597  -2.417
  150    HA   THR  19           HA       THR  19  22.918  -7.409  -1.978
  151    HB   THR  19           HB       THR  19  21.235  -5.672  -3.765
  152    HG1  THR  19           HG1      THR  19  20.180  -5.052  -1.988
  153   HG21  THR  19          HG21      THR  19  19.499  -7.317  -3.261
  154   HG22  THR  19          HG22      THR  19  20.602  -8.182  -2.190
  155   HG23  THR  19          HG23      THR  19  20.910  -8.137  -3.926
  156    H    VAL  20           HN       VAL  20  23.433  -5.439  -4.890
  157    HA   VAL  20           HA       VAL  20  23.455  -7.599  -6.714
  158    HB   VAL  20           HB       VAL  20  24.738  -4.878  -6.863
  159   HG11  VAL  20          HG11      VAL  20  24.418  -7.081  -8.903
  160   HG12  VAL  20          HG12      VAL  20  25.889  -6.214  -8.457
  161   HG13  VAL  20          HG13      VAL  20  24.627  -5.394  -9.377
  162   HG21  VAL  20          HG21      VAL  20  22.240  -5.900  -8.227
  163   HG22  VAL  20          HG22      VAL  20  22.781  -4.228  -8.074
  164   HG23  VAL  20          HG23      VAL  20  22.198  -5.100  -6.656
  165    H    ASN  21           HN       ASN  21  26.024  -5.921  -4.959
  166    HA   ASN  21           HA       ASN  21  28.211  -7.298  -6.072
  167    HB2  ASN  21           HB2      ASN  21  28.442  -5.251  -4.750
  168    HB3  ASN  21           HB1      ASN  21  27.912  -6.124  -3.317
  169   HD21  ASN  21          HD21      ASN  21  30.630  -4.881  -4.313
  170   HD22  ASN  21          HD22      ASN  21  31.746  -6.105  -3.920
  171    H    LYS  22           HN       LYS  22  26.199  -7.971  -3.244
  172    HA   LYS  22           HA       LYS  22  27.615 -10.250  -2.345
  173    HB2  LYS  22           HB2      LYS  22  24.831  -9.220  -1.913
  174    HB3  LYS  22           HB1      LYS  22  25.316 -10.787  -1.266
  175    HG2  LYS  22           HG2      LYS  22  27.068  -9.790   0.044
  176    HG3  LYS  22           HG1      LYS  22  26.866  -8.234  -0.755
  177    HD2  LYS  22           HD2      LYS  22  25.807  -8.228   1.477
  178    HD3  LYS  22           HD1      LYS  22  24.602  -8.026   0.206
  179    HE2  LYS  22           HE2      LYS  22  24.059  -9.705   2.084
  180    HE3  LYS  22           HE1      LYS  22  23.833 -10.260   0.429
  181    HZ1  LYS  22           HZ1      LYS  22  25.012 -11.910   1.694
  182    HZ2  LYS  22           HZ2      LYS  22  26.190 -10.778   2.159
  183    HZ3  LYS  22           HZ3      LYS  22  26.060 -11.254   0.534
  184    H    PHE  23           HN       PHE  23  24.928  -9.848  -4.614
  185    HA   PHE  23           HA       PHE  23  24.098 -12.439  -4.954
  186    HB2  PHE  23           HB2      PHE  23  23.235 -10.373  -6.155
  187    HB3  PHE  23           HB1      PHE  23  24.575 -10.595  -7.279
  188    HD1  PHE  23           HD1      PHE  23  24.766 -12.711  -8.608
  189    HD2  PHE  23           HD2      PHE  23  21.312 -11.804  -6.223
  190    HE1  PHE  23           HE1      PHE  23  23.475 -14.443  -9.823
  191    HE2  PHE  23           HE2      PHE  23  20.019 -13.537  -7.437
  192    HZ   PHE  23           HZ       PHE  23  21.101 -14.857  -9.238
  193    H    THR  24           HN       THR  24  27.170 -11.083  -5.756
  194    HA   THR  24           HA       THR  24  29.108 -12.087  -6.440
  195    HB   THR  24           HB       THR  24  27.759 -14.749  -6.781
  196    HG1  THR  24           HG1      THR  24  27.147 -14.784  -4.804
  197   HG21  THR  24          HG21      THR  24  30.208 -14.433  -7.150
  198   HG22  THR  24          HG22      THR  24  29.855 -15.556  -5.836
  199   HG23  THR  24          HG23      THR  24  30.362 -13.904  -5.474
  200    H    LYS  25           HN       LYS  25  28.450 -10.693  -8.300
  201    HA   LYS  25           HA       LYS  25  27.435 -12.001 -10.666
  202    HB2  LYS  25           HB2      LYS  25  28.702  -9.275 -10.316
  203    HB3  LYS  25           HB1      LYS  25  27.846  -9.833 -11.752
  204    HG2  LYS  25           HG2      LYS  25  26.589  -9.671  -8.995
  205    HG3  LYS  25           HG1      LYS  25  26.449  -8.404 -10.212
  206    HD2  LYS  25           HD2      LYS  25  25.539 -10.252 -11.773
  207    HD3  LYS  25           HD1      LYS  25  25.354 -11.221 -10.310
  208    HE2  LYS  25           HE2      LYS  25  23.950  -9.475  -9.308
  209    HE3  LYS  25           HE1      LYS  25  24.132  -8.488 -10.758
  210    HZ1  LYS  25           HZ1      LYS  25  22.074  -9.708 -10.838
  211    HZ2  LYS  25           HZ2      LYS  25  22.890 -11.182 -10.612
  212    HZ3  LYS  25           HZ3      LYS  25  23.120 -10.289 -12.040
  213    H    LYS  26           HN       LYS  26  28.548 -12.685 -12.432
  214    HA   LYS  26           HA       LYS  26  31.271 -13.445 -12.073
  215    HB2  LYS  26           HB2      LYS  26  29.458 -13.495 -14.494
  216    HB3  LYS  26           HB1      LYS  26  31.088 -14.172 -14.474
  217    HG2  LYS  26           HG2      LYS  26  30.445 -15.666 -12.623
  218    HG3  LYS  26           HG1      LYS  26  28.819 -14.980 -12.632
  219    HD2  LYS  26           HD2      LYS  26  28.562 -15.706 -15.003
  220    HD3  LYS  26           HD1      LYS  26  30.146 -16.480 -14.908
  221    HE2  LYS  26           HE2      LYS  26  27.843 -17.119 -13.052
  222    HE3  LYS  26           HE1      LYS  26  28.224 -18.049 -14.501
  223    HZ1  LYS  26           HZ1      LYS  26  29.551 -18.003 -11.945
  224    HZ2  LYS  26           HZ2      LYS  26  30.611 -17.889 -13.266
  225    HZ3  LYS  26           HZ3      LYS  26  29.545 -19.205 -13.141
  Start of MODEL   11
    1    H1   FME   1           HN       FME   1  11.024  13.117  11.937
    2    HCN  FME   1           HCN      FME   1  13.399  14.620  12.005
    3    HA   FME   1           HA       FME   1  13.482  11.625  11.784
    4    HB2  FME   1           HB2      FME   1  10.869  11.176  10.328
    5    HB3  FME   1           HB1      FME   1  12.179  10.009  10.512
    6    HG2  FME   1           HG2      FME   1  10.621   9.417  12.196
    7    HG3  FME   1           HG1      FME   1  11.865  10.328  13.053
    8    HE1  FME   1           HE1      FME   1   9.105   9.673  14.112
    9    HE2  FME   1           HE2      FME   1   8.432  11.167  14.759
   10    HE3  FME   1           HE3      FME   1  10.111  10.752  15.088
   11    H    ALA   2           HN       ALA   2  13.251  14.351  10.557
   12    HA   ALA   2           HA       ALA   2  13.197  14.198   7.754
   13    HB1  ALA   2           HB1      ALA   2  14.505  16.294   7.805
   14    HB2  ALA   2           HB2      ALA   2  14.820  16.050   9.523
   15    HB3  ALA   2           HB3      ALA   2  13.172  16.338   8.960
   16    H    GLN   3           HN       GLN   3  15.934  13.945  10.016
   17    HA   GLN   3           HA       GLN   3  17.910  13.498   8.046
   18    HB2  GLN   3           HB2      GLN   3  17.696  13.009  10.990
   19    HB3  GLN   3           HB1      GLN   3  19.076  12.379  10.110
   20    HG2  GLN   3           HG2      GLN   3  18.208  15.266  10.015
   21    HG3  GLN   3           HG1      GLN   3  19.438  14.661  11.118
   22   HE21  GLN   3          HE21      GLN   3  19.279  16.335   8.341
   23   HE22  GLN   3          HE22      GLN   3  20.646  15.737   7.532
   24    H    ASP   4           HN       ASP   4  16.248  11.228  10.199
   25    HA   ASP   4           HA       ASP   4  17.318   8.864   9.192
   26    HB2  ASP   4           HB2      ASP   4  16.038   8.969  11.265
   27    HB3  ASP   4           HB1      ASP   4  14.578   9.336  10.357
   28    H    ILE   5           HN       ILE   5  14.362  10.582   8.168
   29    HA   ILE   5           HA       ILE   5  13.569   8.679   6.237
   30    HB   ILE   5           HB       ILE   5  13.051  11.637   6.451
   31   HG12  ILE   5          HG12      ILE   5  11.152   9.316   6.833
   32   HG13  ILE   5          HG11      ILE   5  12.122   9.947   8.158
   33   HG21  ILE   5          HG21      ILE   5  12.054   9.595   4.457
   34   HG22  ILE   5          HG22      ILE   5  12.771  11.172   4.129
   35   HG23  ILE   5          HG23      ILE   5  11.150  11.067   4.814
   36   HD11  ILE   5          HD11      ILE   5  11.107  12.121   7.972
   37   HD12  ILE   5          HD12      ILE   5   9.795  10.941   7.967
   38   HD13  ILE   5          HD13      ILE   5  10.319  11.684   6.456
   39    H    ILE   6           HN       ILE   6  15.615  11.564   6.022
   40    HA   ILE   6           HA       ILE   6  16.126  11.309   3.224
   41    HB   ILE   6           HB       ILE   6  17.567  12.791   5.433
   42   HG12  ILE   6          HG12      ILE   6  15.893  13.831   3.130
   43   HG13  ILE   6          HG11      ILE   6  15.202  13.447   4.706
   44   HG21  ILE   6          HG21      ILE   6  19.236  12.452   3.771
   45   HG22  ILE   6          HG22      ILE   6  18.566  14.042   3.410
   46   HG23  ILE   6          HG23      ILE   6  18.077  12.642   2.456
   47   HD11  ILE   6          HD11      ILE   6  15.890  15.886   4.336
   48   HD12  ILE   6          HD12      ILE   6  17.558  15.314   4.388
   49   HD13  ILE   6          HD13      ILE   6  16.514  15.116   5.795
   50    H    SER   7           HN       SER   7  17.578  10.020   6.140
   51    HA   SER   7           HA       SER   7  19.940   9.012   4.851
   52    HB2  SER   7           HB2      SER   7  19.504   9.533   7.389
   53    HB3  SER   7           HB1      SER   7  18.888   7.886   7.414
   54    HG   SER   7           HG       SER   7  20.853   7.163   7.192
   55    H    THR   8           HN       THR   8  16.744   7.788   5.598
   56    HA   THR   8           HA       THR   8  17.133   5.042   5.238
   57    HB   THR   8           HB       THR   8  14.704   6.724   4.665
   58    HG1  THR   8           HG1      THR   8  14.450   5.337   6.847
   59   HG21  THR   8          HG21      THR   8  15.111   3.746   4.911
   60   HG22  THR   8          HG22      THR   8  14.329   4.634   3.603
   61   HG23  THR   8          HG23      THR   8  13.539   4.500   5.174
   62    H    ILE   9           HN       ILE   9  16.210   7.515   2.853
   63    HA   ILE   9           HA       ILE   9  15.824   5.791   0.668
   64    HB   ILE   9           HB       ILE   9  16.510   7.911  -0.671
   65   HG12  ILE   9          HG12      ILE   9  16.430   9.042   2.125
   66   HG13  ILE   9          HG11      ILE   9  17.852   8.954   1.091
   67   HG21  ILE   9          HG21      ILE   9  14.271   8.115   1.357
   68   HG22  ILE   9          HG22      ILE   9  14.169   7.216  -0.157
   69   HG23  ILE   9          HG23      ILE   9  14.355   8.966  -0.184
   70   HD11  ILE   9          HD11      ILE   9  17.034  11.175   0.852
   71   HD12  ILE   9          HD12      ILE   9  15.368  10.619   0.698
   72   HD13  ILE   9          HD13      ILE   9  16.518  10.322  -0.605
   73    H    GLY  10           HN       GLY  10  18.719   7.581   1.631
   74    HA2  GLY  10           HA2      GLY  10  20.401   6.559  -0.390
   75    HA3  GLY  10           HA1      GLY  10  20.953   7.249   1.140
   76    H    ASP  11           HN       ASP  11  19.528   5.354   2.825
   77    HA   ASP  11           HA       ASP  11  21.458   3.329   3.046
   78    HB2  ASP  11           HB2      ASP  11  19.740   4.023   4.805
   79    HB3  ASP  11           HB1      ASP  11  18.585   3.037   3.914
   80    H    LEU  12           HN       LEU  12  18.280   3.376   1.497
   81    HA   LEU  12           HA       LEU  12  18.294   0.714   0.544
   82    HB2  LEU  12           HB2      LEU  12  16.230   2.004   0.623
   83    HB3  LEU  12           HB1      LEU  12  16.875   3.185  -0.518
   84    HG   LEU  12           HG       LEU  12  16.994   1.459  -2.268
   85   HD11  LEU  12          HD11      LEU  12  17.469  -0.574  -1.182
   86   HD12  LEU  12          HD12      LEU  12  15.781  -0.780  -1.642
   87   HD13  LEU  12          HD13      LEU  12  16.195  -0.345   0.015
   88   HD21  LEU  12          HD21      LEU  12  14.893   2.620  -2.161
   89   HD22  LEU  12          HD22      LEU  12  14.358   1.650  -0.788
   90   HD23  LEU  12          HD23      LEU  12  14.510   0.913  -2.381
   91    H    VAL  13           HN       VAL  13  19.523   3.757  -0.849
   92    HA   VAL  13           HA       VAL  13  20.084   2.748  -3.410
   93    HB   VAL  13           HB       VAL  13  21.505   4.874  -1.808
   94   HG11  VAL  13          HG11      VAL  13  21.756   4.022  -4.697
   95   HG12  VAL  13          HG12      VAL  13  23.042   4.180  -3.498
   96   HG13  VAL  13          HG13      VAL  13  22.249   5.620  -4.136
   97   HG21  VAL  13          HG21      VAL  13  20.146   6.427  -3.073
   98   HG22  VAL  13          HG22      VAL  13  19.068   5.219  -2.374
   99   HG23  VAL  13          HG23      VAL  13  19.513   5.124  -4.078
  100    H    LYS  14           HN       LYS  14  22.079   2.860  -0.480
  101    HA   LYS  14           HA       LYS  14  24.293   1.524  -1.660
  102    HB2  LYS  14           HB2      LYS  14  23.493   2.272   1.136
  103    HB3  LYS  14           HB1      LYS  14  24.812   1.121   0.910
  104    HG2  LYS  14           HG2      LYS  14  25.740   3.371   1.050
  105    HG3  LYS  14           HG1      LYS  14  25.945   2.770  -0.593
  106    HD2  LYS  14           HD2      LYS  14  23.988   4.035  -1.334
  107    HD3  LYS  14           HD1      LYS  14  23.686   4.572   0.319
  108    HE2  LYS  14           HE2      LYS  14  26.212   5.161  -1.247
  109    HE3  LYS  14           HE1      LYS  14  24.869   6.290  -1.050
  110    HZ1  LYS  14           HZ1      LYS  14  25.511   6.787   1.009
  111    HZ2  LYS  14           HZ2      LYS  14  26.985   6.026   0.635
  112    HZ3  LYS  14           HZ3      LYS  14  25.757   5.161   1.431
  113    H    TRP  15           HN       TRP  15  21.567   0.389   0.321
  114    HA   TRP  15           HA       TRP  15  22.375  -2.219   0.718
  115    HB2  TRP  15           HB2      TRP  15  19.997  -0.647   0.945
  116    HB3  TRP  15           HB1      TRP  15  19.558  -2.184   0.280
  117    HD1  TRP  15           HD1      TRP  15  21.485  -0.665   3.200
  118    HE1  TRP  15           HE1      TRP  15  21.325  -2.273   5.231
  119    HE3  TRP  15           HE3      TRP  15  19.077  -4.512   1.002
  120    HZ2  TRP  15           HZ2      TRP  15  20.293  -4.903   5.805
  121    HZ3  TRP  15           HZ3      TRP  15  18.507  -6.576   2.265
  122    HH2  TRP  15           HH2      TRP  15  19.116  -6.775   4.664
  123    H    ILE  16           HN       ILE  16  20.913  -0.714  -2.117
  124    HA   ILE  16           HA       ILE  16  20.405  -3.119  -3.554
  125    HB   ILE  16           HB       ILE  16  20.837  -0.280  -4.463
  126   HG12  ILE  16          HG12      ILE  16  18.310  -1.941  -4.463
  127   HG13  ILE  16          HG11      ILE  16  18.793  -0.971  -3.076
  128   HG21  ILE  16          HG21      ILE  16  20.163  -2.767  -6.040
  129   HG22  ILE  16          HG22      ILE  16  21.427  -1.579  -6.367
  130   HG23  ILE  16          HG23      ILE  16  19.732  -1.155  -6.609
  131   HD11  ILE  16          HD11      ILE  16  18.595   0.219  -5.846
  132   HD12  ILE  16          HD12      ILE  16  18.625   1.060  -4.296
  133   HD13  ILE  16          HD13      ILE  16  17.200   0.136  -4.771
  134    H    ILE  17           HN       ILE  17  23.141  -0.883  -3.478
  135    HA   ILE  17           HA       ILE  17  24.700  -2.221  -5.423
  136    HB   ILE  17           HB       ILE  17  25.494  -0.412  -3.146
  137   HG12  ILE  17          HG12      ILE  17  25.371   0.143  -6.118
  138   HG13  ILE  17          HG11      ILE  17  24.030   0.485  -5.021
  139   HG21  ILE  17          HG21      ILE  17  27.607  -0.139  -4.583
  140   HG22  ILE  17          HG22      ILE  17  27.100  -1.609  -5.412
  141   HG23  ILE  17          HG23      ILE  17  27.462  -1.652  -3.687
  142   HD11  ILE  17          HD11      ILE  17  25.459   1.975  -3.698
  143   HD12  ILE  17          HD12      ILE  17  25.463   2.484  -5.387
  144   HD13  ILE  17          HD13      ILE  17  26.839   1.596  -4.731
  145    H    ASP  18           HN       ASP  18  24.468  -2.412  -1.940
  146    HA   ASP  18           HA       ASP  18  26.536  -4.263  -1.490
  147    HB2  ASP  18           HB2      ASP  18  25.264  -2.866   0.225
  148    HB3  ASP  18           HB1      ASP  18  23.977  -4.066   0.102
  149    H    THR  19           HN       THR  19  23.172  -4.610  -2.451
  150    HA   THR  19           HA       THR  19  23.015  -7.429  -2.050
  151    HB   THR  19           HB       THR  19  21.372  -5.790  -3.967
  152    HG1  THR  19           HG1      THR  19  19.954  -5.679  -2.107
  153   HG21  THR  19          HG21      THR  19  20.951  -8.410  -2.513
  154   HG22  THR  19          HG22      THR  19  21.038  -8.157  -4.257
  155   HG23  THR  19          HG23      THR  19  19.661  -7.540  -3.343
  156    H    VAL  20           HN       VAL  20  23.585  -5.448  -4.953
  157    HA   VAL  20           HA       VAL  20  23.872  -7.623  -6.735
  158    HB   VAL  20           HB       VAL  20  24.966  -4.822  -6.863
  159   HG11  VAL  20          HG11      VAL  20  26.313  -6.127  -8.342
  160   HG12  VAL  20          HG12      VAL  20  25.080  -5.381  -9.360
  161   HG13  VAL  20          HG13      VAL  20  24.924  -7.072  -8.882
  162   HG21  VAL  20          HG21      VAL  20  22.515  -4.978  -6.818
  163   HG22  VAL  20          HG22      VAL  20  22.558  -6.163  -8.124
  164   HG23  VAL  20          HG23      VAL  20  23.066  -4.500  -8.424
  165    H    ASN  21           HN       ASN  21  26.172  -5.767  -4.808
  166    HA   ASN  21           HA       ASN  21  28.544  -6.946  -5.735
  167    HB2  ASN  21           HB2      ASN  21  28.541  -4.943  -4.350
  168    HB3  ASN  21           HB1      ASN  21  27.877  -5.862  -3.009
  169   HD21  ASN  21          HD21      ASN  21  30.254  -7.365  -5.086
  170   HD22  ASN  21          HD22      ASN  21  31.517  -7.330  -3.953
  171    H    LYS  22           HN       LYS  22  26.317  -7.899  -3.152
  172    HA   LYS  22           HA       LYS  22  27.904 -10.222  -2.439
  173    HB2  LYS  22           HB2      LYS  22  25.216  -9.219  -1.543
  174    HB3  LYS  22           HB1      LYS  22  25.920 -10.726  -0.957
  175    HG2  LYS  22           HG2      LYS  22  27.955  -9.398  -0.262
  176    HG3  LYS  22           HG1      LYS  22  27.058  -7.933  -0.655
  177    HD2  LYS  22           HD2      LYS  22  26.077 -10.038   1.295
  178    HD3  LYS  22           HD1      LYS  22  26.957  -8.589   1.783
  179    HE2  LYS  22           HE2      LYS  22  25.146  -7.273   0.507
  180    HE3  LYS  22           HE1      LYS  22  24.227  -8.774   0.502
  181    HZ1  LYS  22           HZ1      LYS  22  25.370  -7.930   3.046
  182    HZ2  LYS  22           HZ2      LYS  22  23.891  -8.698   2.719
  183    HZ3  LYS  22           HZ3      LYS  22  24.060  -7.027   2.462
  184    H    PHE  23           HN       PHE  23  25.532  -9.484  -4.767
  185    HA   PHE  23           HA       PHE  23  24.222 -11.998  -4.928
  186    HB2  PHE  23           HB2      PHE  23  23.276  -9.965  -5.923
  187    HB3  PHE  23           HB1      PHE  23  24.615  -9.916  -7.068
  188    HD1  PHE  23           HD2      PHE  23  21.844 -12.115  -5.866
  189    HD2  PHE  23           HD1      PHE  23  24.506 -11.133  -9.092
  190    HE1  PHE  23           HE2      PHE  23  20.643 -13.705  -7.341
  191    HE2  PHE  23           HE1      PHE  23  23.304 -12.724 -10.567
  192    HZ   PHE  23           HZ       PHE  23  21.373 -14.010  -9.693
  193    H    THR  24           HN       THR  24  27.381 -11.300  -5.377
  194    HA   THR  24           HA       THR  24  27.821 -13.080  -7.666
  195    HB   THR  24           HB       THR  24  29.988 -11.741  -6.048
  196    HG1  THR  24           HG1      THR  24  29.468  -9.876  -6.852
  197   HG21  THR  24          HG21      THR  24  29.789 -12.251  -9.022
  198   HG22  THR  24          HG22      THR  24  30.422 -13.455  -7.902
  199   HG23  THR  24          HG23      THR  24  31.235 -11.900  -8.077
  200    H    LYS  25           HN       LYS  25  26.705 -14.167  -5.283
  201    HA   LYS  25           HA       LYS  25  28.404 -15.347  -3.468
  202    HB2  LYS  25           HB2      LYS  25  26.066 -16.712  -4.836
  203    HB3  LYS  25           HB1      LYS  25  26.768 -17.163  -3.285
  204    HG2  LYS  25           HG2      LYS  25  25.495 -14.472  -3.880
  205    HG3  LYS  25           HG1      LYS  25  24.687 -15.801  -3.052
  206    HD2  LYS  25           HD2      LYS  25  26.702 -15.730  -1.413
  207    HD3  LYS  25           HD1      LYS  25  27.020 -14.135  -2.103
  208    HE2  LYS  25           HE2      LYS  25  24.393 -14.994  -0.852
  209    HE3  LYS  25           HE1      LYS  25  25.607 -13.982  -0.072
  210    HZ1  LYS  25           HZ1      LYS  25  24.917 -12.209  -1.187
  211    HZ2  LYS  25           HZ2      LYS  25  23.560 -13.116  -1.657
  212    HZ3  LYS  25           HZ3      LYS  25  24.920 -13.027  -2.673
  213    H    LYS  26           HN       LYS  26  29.877 -16.974  -3.477
  214    HA   LYS  26           HA       LYS  26  31.602 -18.179  -4.469
  215    HB2  LYS  26           HB2      LYS  26  29.048 -19.566  -5.270
  216    HB3  LYS  26           HB1      LYS  26  30.652 -20.302  -5.396
  217    HG2  LYS  26           HG2      LYS  26  30.999 -20.086  -3.013
  218    HG3  LYS  26           HG1      LYS  26  29.514 -19.146  -2.838
  219    HD2  LYS  26           HD2      LYS  26  28.218 -21.077  -3.660
  220    HD3  LYS  26           HD1      LYS  26  29.704 -22.024  -3.741
  221    HE2  LYS  26           HE2      LYS  26  28.692 -20.698  -1.218
  222    HE3  LYS  26           HE1      LYS  26  28.370 -22.382  -1.629
  223    HZ1  LYS  26           HZ1      LYS  26  31.124 -21.796  -1.924
  224    HZ2  LYS  26           HZ2      LYS  26  30.377 -22.951  -0.928
  225    HZ3  LYS  26           HZ3      LYS  26  30.609 -21.365  -0.367
  Start of MODEL   12
    1    H1   FME   1           HN       FME   1  11.184  13.137  12.094
    2    HCN  FME   1           HCN      FME   1  13.425  14.782  12.017
    3    HA   FME   1           HA       FME   1  13.626  11.658  11.858
    4    HB2  FME   1           HB2      FME   1  10.961  11.244  10.483
    5    HB3  FME   1           HB1      FME   1  12.282  10.077  10.545
    6    HG2  FME   1           HG2      FME   1  10.805   9.429  12.296
    7    HG3  FME   1           HG1      FME   1  12.130  10.272  13.098
    8    HE1  FME   1           HE1      FME   1   8.679  10.968  14.932
    9    HE2  FME   1           HE2      FME   1   9.907   9.739  14.642
   10    HE3  FME   1           HE3      FME   1   8.514   9.853  13.568
   11    H    ALA   2           HN       ALA   2  13.508  14.366  10.657
   12    HA   ALA   2           HA       ALA   2  13.399  14.234   7.849
   13    HB1  ALA   2           HB1      ALA   2  13.536  16.321   9.318
   14    HB2  ALA   2           HB2      ALA   2  14.504  16.338   7.844
   15    HB3  ALA   2           HB3      ALA   2  15.273  16.023   9.399
   16    H    GLN   3           HN       GLN   3  16.156  13.907  10.076
   17    HA   GLN   3           HA       GLN   3  18.103  13.404   8.093
   18    HB2  GLN   3           HB2      GLN   3  17.890  12.901  11.037
   19    HB3  GLN   3           HB1      GLN   3  19.242  12.230  10.145
   20    HG2  GLN   3           HG2      GLN   3  18.471  15.145  10.075
   21    HG3  GLN   3           HG1      GLN   3  19.690  14.492  11.164
   22   HE21  GLN   3          HE21      GLN   3  19.601  16.218   8.430
   23   HE22  GLN   3          HE22      GLN   3  20.923  15.566   7.589
   24    H    ASP   4           HN       ASP   4  16.368  11.189  10.239
   25    HA   ASP   4           HA       ASP   4  17.351   8.784   9.239
   26    HB2  ASP   4           HB2      ASP   4  16.075   8.950  11.312
   27    HB3  ASP   4           HB1      ASP   4  14.631   9.366  10.398
   28    H    ILE   5           HN       ILE   5  14.465  10.614   8.224
   29    HA   ILE   5           HA       ILE   5  13.585   8.746   6.301
   30    HB   ILE   5           HB       ILE   5  13.199  11.721   6.532
   31   HG12  ILE   5          HG12      ILE   5  12.194   9.946   8.202
   32   HG13  ILE   5          HG11      ILE   5  11.167  11.237   7.590
   33   HG21  ILE   5          HG21      ILE   5  11.246  11.239   4.904
   34   HG22  ILE   5          HG22      ILE   5  12.131   9.771   4.494
   35   HG23  ILE   5          HG23      ILE   5  12.869  11.350   4.223
   36   HD11  ILE   5          HD11      ILE   5  10.031   9.801   6.112
   37   HD12  ILE   5          HD12      ILE   5  10.254   8.800   7.546
   38   HD13  ILE   5          HD13      ILE   5  11.308   8.585   6.151
   39    H    ILE   6           HN       ILE   6  15.736  11.550   6.062
   40    HA   ILE   6           HA       ILE   6  16.213  11.273   3.260
   41    HB   ILE   6           HB       ILE   6  17.741  12.689   5.454
   42   HG12  ILE   6          HG12      ILE   6  16.084  13.814   3.177
   43   HG13  ILE   6          HG11      ILE   6  15.402  13.463   4.766
   44   HG21  ILE   6          HG21      ILE   6  18.789  13.893   3.443
   45   HG22  ILE   6          HG22      ILE   6  18.192  12.550   2.465
   46   HG23  ILE   6          HG23      ILE   6  19.358  12.252   3.753
   47   HD11  ILE   6          HD11      ILE   6  16.098  15.836   4.571
   48   HD12  ILE   6          HD12      ILE   6  17.750  15.312   4.245
   49   HD13  ILE   6          HD13      ILE   6  17.015  14.989   5.817
   50    H    SER   7           HN       SER   7  17.623   9.919   6.160
   51    HA   SER   7           HA       SER   7  19.947   8.825   4.877
   52    HB2  SER   7           HB2      SER   7  19.530   9.319   7.412
   53    HB3  SER   7           HB1      SER   7  18.799   7.721   7.413
   54    HG   SER   7           HG       SER   7  20.704   6.840   7.095
   55    H    THR   8           HN       THR   8  16.691   7.736   5.554
   56    HA   THR   8           HA       THR   8  16.984   4.979   5.143
   57    HB   THR   8           HB       THR   8  14.612   6.755   4.614
   58    HG1  THR   8           HG1      THR   8  15.198   6.861   6.733
   59   HG21  THR   8          HG21      THR   8  14.220   4.687   3.490
   60   HG22  THR   8          HG22      THR   8  13.362   4.578   5.028
   61   HG23  THR   8          HG23      THR   8  14.910   3.758   4.822
   62    H    ILE   9           HN       ILE   9  16.149   7.529   2.805
   63    HA   ILE   9           HA       ILE   9  15.740   5.841   0.588
   64    HB   ILE   9           HB       ILE   9  16.436   7.973  -0.718
   65   HG12  ILE   9          HG12      ILE   9  16.404   9.064   2.094
   66   HG13  ILE   9          HG11      ILE   9  17.802   8.998   1.031
   67   HG21  ILE   9          HG21      ILE   9  14.220   8.201   1.330
   68   HG22  ILE   9          HG22      ILE   9  14.089   7.286  -0.172
   69   HG23  ILE   9          HG23      ILE   9  14.293   9.033  -0.221
   70   HD11  ILE   9          HD11      ILE   9  15.311  10.666   0.723
   71   HD12  ILE   9          HD12      ILE   9  16.433  10.396  -0.609
   72   HD13  ILE   9          HD13      ILE   9  16.980  11.215   0.855
   73    H    GLY  10           HN       GLY  10  18.640   7.601   1.581
   74    HA2  GLY  10           HA2      GLY  10  20.326   6.602  -0.446
   75    HA3  GLY  10           HA1      GLY  10  20.875   7.258   1.100
   76    H    ASP  11           HN       ASP  11  19.453   5.354   2.747
   77    HA   ASP  11           HA       ASP  11  21.361   3.311   2.951
   78    HB2  ASP  11           HB2      ASP  11  19.623   4.009   4.697
   79    HB3  ASP  11           HB1      ASP  11  18.481   3.023   3.790
   80    H    LEU  12           HN       LEU  12  18.188   3.395   1.412
   81    HA   LEU  12           HA       LEU  12  18.179   0.743   0.422
   82    HB2  LEU  12           HB2      LEU  12  16.140   2.038   0.563
   83    HB3  LEU  12           HB1      LEU  12  16.765   3.243  -0.562
   84    HG   LEU  12           HG       LEU  12  16.851   0.438  -1.594
   85   HD11  LEU  12          HD11      LEU  12  14.439   0.381  -2.122
   86   HD12  LEU  12          HD12      LEU  12  14.194   1.821  -1.133
   87   HD13  LEU  12          HD13      LEU  12  14.728   0.317  -0.384
   88   HD21  LEU  12          HD21      LEU  12  16.058   1.513  -3.633
   89   HD22  LEU  12          HD22      LEU  12  17.362   2.484  -2.949
   90   HD23  LEU  12          HD23      LEU  12  15.684   2.992  -2.750
   91    H    VAL  13           HN       VAL  13  19.427   3.803  -0.929
   92    HA   VAL  13           HA       VAL  13  19.980   2.815  -3.505
   93    HB   VAL  13           HB       VAL  13  21.378   4.930  -1.877
   94   HG11  VAL  13          HG11      VAL  13  21.711   4.082  -4.756
   95   HG12  VAL  13          HG12      VAL  13  22.963   4.256  -3.526
   96   HG13  VAL  13          HG13      VAL  13  22.171   5.687  -4.188
   97   HG21  VAL  13          HG21      VAL  13  20.087   6.464  -3.309
   98   HG22  VAL  13          HG22      VAL  13  19.013   5.379  -2.424
   99   HG23  VAL  13          HG23      VAL  13  19.358   5.084  -4.129
  100    H    LYS  14           HN       LYS  14  21.976   2.919  -0.574
  101    HA   LYS  14           HA       LYS  14  24.193   1.579  -1.748
  102    HB2  LYS  14           HB2      LYS  14  23.401   2.325   1.055
  103    HB3  LYS  14           HB1      LYS  14  24.741   1.206   0.810
  104    HG2  LYS  14           HG2      LYS  14  25.692   3.407   0.936
  105    HG3  LYS  14           HG1      LYS  14  25.762   2.934  -0.758
  106    HD2  LYS  14           HD2      LYS  14  23.721   4.231  -1.216
  107    HD3  LYS  14           HD1      LYS  14  23.610   4.668   0.490
  108    HE2  LYS  14           HE2      LYS  14  25.776   5.817   0.347
  109    HE3  LYS  14           HE1      LYS  14  25.915   5.357  -1.352
  110    HZ1  LYS  14           HZ1      LYS  14  24.766   7.159  -1.863
  111    HZ2  LYS  14           HZ2      LYS  14  24.529   7.536  -0.222
  112    HZ3  LYS  14           HZ3      LYS  14  23.425   6.531  -1.035
  113    H    TRP  15           HN       TRP  15  21.461   0.456   0.237
  114    HA   TRP  15           HA       TRP  15  22.275  -2.138   0.680
  115    HB2  TRP  15           HB2      TRP  15  19.884  -0.581   0.835
  116    HB3  TRP  15           HB1      TRP  15  19.466  -2.129   0.192
  117    HD1  TRP  15           HD1      TRP  15  21.318  -0.534   3.109
  118    HE1  TRP  15           HE1      TRP  15  21.140  -2.100   5.169
  119    HE3  TRP  15           HE3      TRP  15  18.995  -4.464   0.952
  120    HZ2  TRP  15           HZ2      TRP  15  20.126  -4.726   5.784
  121    HZ3  TRP  15           HZ3      TRP  15  18.424  -6.506   2.258
  122    HH2  TRP  15           HH2      TRP  15  18.991  -6.639   4.673
  123    H    ILE  16           HN       ILE  16  20.857  -0.673  -2.205
  124    HA   ILE  16           HA       ILE  16  20.389  -3.096  -3.617
  125    HB   ILE  16           HB       ILE  16  20.863  -0.284  -4.575
  126   HG12  ILE  16          HG12      ILE  16  18.344  -1.952  -4.606
  127   HG13  ILE  16          HG11      ILE  16  18.775  -0.929  -3.237
  128   HG21  ILE  16          HG21      ILE  16  19.812  -1.218  -6.730
  129   HG22  ILE  16          HG22      ILE  16  20.234  -2.814  -6.103
  130   HG23  ILE  16          HG23      ILE  16  21.502  -1.632  -6.432
  131   HD11  ILE  16          HD11      ILE  16  18.702   0.183  -6.042
  132   HD12  ILE  16          HD12      ILE  16  18.595   1.052  -4.510
  133   HD13  ILE  16          HD13      ILE  16  17.236   0.076  -5.067
  134    H    ILE  17           HN       ILE  17  23.152  -0.888  -3.508
  135    HA   ILE  17           HA       ILE  17  24.747  -2.280  -5.386
  136    HB   ILE  17           HB       ILE  17  25.488  -0.446  -3.112
  137   HG12  ILE  17          HG12      ILE  17  25.473   0.072  -6.096
  138   HG13  ILE  17          HG11      ILE  17  24.101   0.446  -5.048
  139   HG21  ILE  17          HG21      ILE  17  27.449  -1.723  -3.559
  140   HG22  ILE  17          HG22      ILE  17  27.652  -0.223  -4.464
  141   HG23  ILE  17          HG23      ILE  17  27.157  -1.695  -5.298
  142   HD11  ILE  17          HD11      ILE  17  26.902   1.490  -4.555
  143   HD12  ILE  17          HD12      ILE  17  25.417   1.989  -3.746
  144   HD13  ILE  17          HD13      ILE  17  25.673   2.389  -5.444
  145    H    ASP  18           HN       ASP  18  24.420  -2.432  -1.898
  146    HA   ASP  18           HA       ASP  18  26.465  -4.278  -1.366
  147    HB2  ASP  18           HB2      ASP  18  25.086  -2.898   0.290
  148    HB3  ASP  18           HB1      ASP  18  23.835  -4.130   0.110
  149    H    THR  19           HN       THR  19  23.146  -4.663  -2.480
  150    HA   THR  19           HA       THR  19  23.017  -7.486  -2.107
  151    HB   THR  19           HB       THR  19  21.432  -5.714  -3.951
  152    HG1  THR  19           HG1      THR  19  20.638  -6.827  -1.492
  153   HG21  THR  19          HG21      THR  19  19.783  -7.655  -3.722
  154   HG22  THR  19          HG22      THR  19  21.134  -8.590  -3.083
  155   HG23  THR  19          HG23      THR  19  21.200  -7.958  -4.729
  156    H    VAL  20           HN       VAL  20  23.687  -5.463  -4.956
  157    HA   VAL  20           HA       VAL  20  24.059  -7.607  -6.759
  158    HB   VAL  20           HB       VAL  20  25.135  -4.794  -6.808
  159   HG11  VAL  20          HG11      VAL  20  26.536  -6.053  -8.266
  160   HG12  VAL  20          HG12      VAL  20  25.320  -5.319  -9.311
  161   HG13  VAL  20          HG13      VAL  20  25.181  -7.016  -8.852
  162   HG21  VAL  20          HG21      VAL  20  22.720  -6.152  -8.025
  163   HG22  VAL  20          HG22      VAL  20  23.296  -4.569  -8.548
  164   HG23  VAL  20          HG23      VAL  20  22.732  -4.800  -6.893
  165    H    ASN  21           HN       ASN  21  26.288  -5.742  -4.758
  166    HA   ASN  21           HA       ASN  21  28.685  -6.939  -5.618
  167    HB2  ASN  21           HB2      ASN  21  28.606  -4.880  -4.289
  168    HB3  ASN  21           HB1      ASN  21  28.001  -5.802  -2.918
  169   HD21  ASN  21          HD21      ASN  21  30.695  -4.331  -3.587
  170   HD22  ASN  21          HD22      ASN  21  31.862  -5.467  -3.096
  171    H    LYS  22           HN       LYS  22  26.375  -7.807  -3.098
  172    HA   LYS  22           HA       LYS  22  27.935 -10.072  -2.201
  173    HB2  LYS  22           HB2      LYS  22  25.189  -9.066  -1.513
  174    HB3  LYS  22           HB1      LYS  22  25.870 -10.541  -0.831
  175    HG2  LYS  22           HG2      LYS  22  27.735  -9.302   0.115
  176    HG3  LYS  22           HG1      LYS  22  27.207  -7.824  -0.687
  177    HD2  LYS  22           HD2      LYS  22  26.538  -7.831   1.691
  178    HD3  LYS  22           HD1      LYS  22  25.128  -7.831   0.632
  179    HE2  LYS  22           HE2      LYS  22  25.155  -9.473   2.643
  180    HE3  LYS  22           HE1      LYS  22  24.648 -10.095   1.075
  181    HZ1  LYS  22           HZ1      LYS  22  26.627 -11.204   0.779
  182    HZ2  LYS  22           HZ2      LYS  22  26.404 -11.371   2.454
  183    HZ3  LYS  22           HZ3      LYS  22  27.485 -10.208   1.850
  184    H    PHE  23           HN       PHE  23  26.262  -9.597  -4.946
  185    HA   PHE  23           HA       PHE  23  24.572 -11.849  -5.142
  186    HB2  PHE  23           HB2      PHE  23  24.555  -9.906  -6.709
  187    HB3  PHE  23           HB1      PHE  23  26.056 -10.524  -7.398
  188    HD1  PHE  23           HD2      PHE  23  22.538 -11.513  -6.619
  189    HD2  PHE  23           HD1      PHE  23  26.003 -12.208  -9.062
  190    HE1  PHE  23           HE2      PHE  23  21.240 -13.103  -8.009
  191    HE2  PHE  23           HE1      PHE  23  24.705 -13.799 -10.451
  192    HZ   PHE  23           HZ       PHE  23  22.323 -14.247  -9.925
  193    H    THR  24           HN       THR  24  27.997 -11.395  -5.916
  194    HA   THR  24           HA       THR  24  28.353 -14.009  -7.011
  195    HB   THR  24           HB       THR  24  30.814 -13.453  -6.725
  196    HG1  THR  24           HG1      THR  24  29.924 -11.808  -4.991
  197   HG21  THR  24          HG21      THR  24  29.017 -11.451  -8.122
  198   HG22  THR  24          HG22      THR  24  29.632 -12.957  -8.807
  199   HG23  THR  24          HG23      THR  24  30.744 -11.641  -8.425
  200    H    LYS  25           HN       LYS  25  27.236 -13.676  -4.237
  201    HA   LYS  25           HA       LYS  25  29.201 -15.187  -2.646
  202    HB2  LYS  25           HB2      LYS  25  26.565 -13.967  -1.807
  203    HB3  LYS  25           HB1      LYS  25  27.764 -14.694  -0.741
  204    HG2  LYS  25           HG2      LYS  25  28.368 -12.337  -2.543
  205    HG3  LYS  25           HG1      LYS  25  27.841 -12.157  -0.869
  206    HD2  LYS  25           HD2      LYS  25  29.826 -13.724  -0.291
  207    HD3  LYS  25           HD1      LYS  25  30.401 -13.374  -1.924
  208    HE2  LYS  25           HE2      LYS  25  30.325 -10.952  -1.427
  209    HE3  LYS  25           HE1      LYS  25  29.796 -11.316   0.216
  210    HZ1  LYS  25           HZ1      LYS  25  32.354 -11.037  -0.515
  211    HZ2  LYS  25           HZ2      LYS  25  32.172 -12.721  -0.643
  212    HZ3  LYS  25           HZ3      LYS  25  31.843 -11.937   0.827
  213    H    LYS  26           HN       LYS  26  26.717 -15.794  -4.746
  214    HA   LYS  26           HA       LYS  26  25.125 -17.476  -4.969
  215    HB2  LYS  26           HB2      LYS  26  27.709 -18.850  -4.235
  216    HB3  LYS  26           HB1      LYS  26  26.308 -19.686  -4.915
  217    HG2  LYS  26           HG2      LYS  26  26.384 -18.309  -6.904
  218    HG3  LYS  26           HG1      LYS  26  27.662 -17.307  -6.209
  219    HD2  LYS  26           HD2      LYS  26  29.144 -19.245  -6.115
  220    HD3  LYS  26           HD1      LYS  26  27.880 -20.264  -6.803
  221    HE2  LYS  26           HE2      LYS  26  27.860 -18.871  -8.833
  222    HE3  LYS  26           HE1      LYS  26  29.117 -17.846  -8.142
  223    HZ1  LYS  26           HZ1      LYS  26  30.028 -20.445  -7.927
  224    HZ2  LYS  26           HZ2      LYS  26  30.596 -19.240  -8.983
  225    HZ3  LYS  26           HZ3      LYS  26  29.384 -20.319  -9.490
  Start of MODEL   13
    1    H1   FME   1           HN       FME   1  11.634  13.840  12.552
    2    HCN  FME   1           HCN      FME   1  14.186  14.782  11.810
    3    HA   FME   1           HA       FME   1  13.474  11.776  11.896
    4    HB2  FME   1           HB2      FME   1  10.919  11.658  12.470
    5    HB3  FME   1           HB1      FME   1  10.697  11.926  10.743
    6    HG2  FME   1           HG2      FME   1  12.166   9.964  10.286
    7    HG3  FME   1           HG1      FME   1  12.283   9.674  12.021
    8    HE1  FME   1           HE1      FME   1   9.993   6.784  11.507
    9    HE2  FME   1           HE2      FME   1  11.074   7.549  12.669
   10    HE3  FME   1           HE3      FME   1  11.608   7.306  11.008
   11    H    ALA   2           HN       ALA   2  13.341  14.590  10.530
   12    HA   ALA   2           HA       ALA   2  12.992  14.113   7.755
   13    HB1  ALA   2           HB1      ALA   2  12.975  16.378   8.767
   14    HB2  ALA   2           HB2      ALA   2  14.126  16.253   7.436
   15    HB3  ALA   2           HB3      ALA   2  14.699  16.222   9.104
   16    H    GLN   3           HN       GLN   3  15.815  14.052   9.883
   17    HA   GLN   3           HA       GLN   3  17.766  13.595   7.894
   18    HB2  GLN   3           HB2      GLN   3  17.622  13.071  10.836
   19    HB3  GLN   3           HB1      GLN   3  19.022  12.586   9.910
   20    HG2  GLN   3           HG2      GLN   3  19.313  14.897   9.146
   21    HG3  GLN   3           HG1      GLN   3  17.892  15.376  10.054
   22   HE21  GLN   3          HE21      GLN   3  19.884  16.828  10.930
   23   HE22  GLN   3          HE22      GLN   3  20.625  16.213  12.327
   24    H    ASP   4           HN       ASP   4  16.134  11.369  10.089
   25    HA   ASP   4           HA       ASP   4  17.213   8.976   9.185
   26    HB2  ASP   4           HB2      ASP   4  15.880   9.141  11.213
   27    HB3  ASP   4           HB1      ASP   4  14.449   9.516  10.261
   28    H    ILE   5           HN       ILE   5  14.307  10.685   8.016
   29    HA   ILE   5           HA       ILE   5  13.553   8.738   6.112
   30    HB   ILE   5           HB       ILE   5  13.062  11.706   6.230
   31   HG12  ILE   5          HG12      ILE   5  11.140   9.411   6.634
   32   HG13  ILE   5          HG11      ILE   5  12.072  10.099   7.961
   33   HG21  ILE   5          HG21      ILE   5  12.854  11.158   3.914
   34   HG22  ILE   5          HG22      ILE   5  11.210  11.132   4.556
   35   HG23  ILE   5          HG23      ILE   5  12.074   9.619   4.279
   36   HD11  ILE   5          HD11      ILE   5  11.050  12.245   7.690
   37   HD12  ILE   5          HD12      ILE   5   9.735  11.072   7.628
   38   HD13  ILE   5          HD13      ILE   5  10.349  11.788   6.139
   39    H    ILE   6           HN       ILE   6  15.627  11.603   5.887
   40    HA   ILE   6           HA       ILE   6  16.226  11.275   3.113
   41    HB   ILE   6           HB       ILE   6  17.631  12.788   5.325
   42   HG12  ILE   6          HG12      ILE   6  15.992  13.811   2.989
   43   HG13  ILE   6          HG11      ILE   6  15.286  13.465   4.569
   44   HG21  ILE   6          HG21      ILE   6  19.299  12.365   3.662
   45   HG22  ILE   6          HG22      ILE   6  18.698  13.991   3.335
   46   HG23  ILE   6          HG23      ILE   6  18.156  12.634   2.347
   47   HD11  ILE   6          HD11      ILE   6  17.617  15.352   4.126
   48   HD12  ILE   6          HD12      ILE   6  16.743  15.091   5.635
   49   HD13  ILE   6          HD13      ILE   6  15.938  15.871   4.272
   50    H    SER   7           HN       SER   7  17.552  10.055   6.106
   51    HA   SER   7           HA       SER   7  19.962   8.998   4.952
   52    HB2  SER   7           HB2      SER   7  19.435   9.593   7.447
   53    HB3  SER   7           HB1      SER   7  18.766   7.968   7.496
   54    HG   SER   7           HG       SER   7  21.391   8.826   7.175
   55    H    THR   8           HN       THR   8  16.728   7.807   5.605
   56    HA   THR   8           HA       THR   8  17.164   5.055   5.293
   57    HB   THR   8           HB       THR   8  14.706   6.690   4.708
   58    HG1  THR   8           HG1      THR   8  15.685   5.330   6.980
   59   HG21  THR   8          HG21      THR   8  14.412   4.579   3.640
   60   HG22  THR   8          HG22      THR   8  13.573   4.455   5.186
   61   HG23  THR   8          HG23      THR   8  15.164   3.721   4.985
   62    H    ILE   9           HN       ILE   9  16.223   7.486   2.868
   63    HA   ILE   9           HA       ILE   9  15.872   5.733   0.703
   64    HB   ILE   9           HB       ILE   9  16.554   7.832  -0.661
   65   HG12  ILE   9          HG12      ILE   9  16.506   9.006   2.118
   66   HG13  ILE   9          HG11      ILE   9  17.909   8.920   1.061
   67   HG21  ILE   9          HG21      ILE   9  14.209   7.141  -0.096
   68   HG22  ILE   9          HG22      ILE   9  14.402   8.886  -0.206
   69   HG23  ILE   9          HG23      ILE   9  14.329   8.106   1.372
   70   HD11  ILE   9          HD11      ILE   9  15.427  10.592   0.745
   71   HD12  ILE   9          HD12      ILE   9  16.472  10.238  -0.630
   72   HD13  ILE   9          HD13      ILE   9  17.110  11.116   0.760
   73    H    GLY  10           HN       GLY  10  18.755   7.553   1.642
   74    HA2  GLY  10           HA2      GLY  10  20.450   6.508  -0.355
   75    HA3  GLY  10           HA1      GLY  10  20.991   7.217   1.170
   76    H    ASP  11           HN       ASP  11  19.605   5.355   2.885
   77    HA   ASP  11           HA       ASP  11  21.530   3.333   3.138
   78    HB2  ASP  11           HB2      ASP  11  19.799   4.084   4.870
   79    HB3  ASP  11           HB1      ASP  11  18.663   3.050   4.011
   80    H    LEU  12           HN       LEU  12  18.352   3.356   1.606
   81    HA   LEU  12           HA       LEU  12  18.354   0.671   0.716
   82    HB2  LEU  12           HB2      LEU  12  16.294   1.959   0.808
   83    HB3  LEU  12           HB1      LEU  12  16.919   3.121  -0.360
   84    HG   LEU  12           HG       LEU  12  17.012   1.368  -2.082
   85   HD11  LEU  12          HD11      LEU  12  17.483  -0.652  -0.974
   86   HD12  LEU  12          HD12      LEU  12  15.789  -0.850  -1.406
   87   HD13  LEU  12          HD13      LEU  12  16.230  -0.393   0.239
   88   HD21  LEU  12          HD21      LEU  12  14.372   1.490  -0.598
   89   HD22  LEU  12          HD22      LEU  12  14.567   0.933  -2.260
   90   HD23  LEU  12          HD23      LEU  12  14.923   2.609  -1.844
   91    H    VAL  13           HN       VAL  13  19.549   3.696  -0.742
   92    HA   VAL  13           HA       VAL  13  20.106   2.657  -3.292
   93    HB   VAL  13           HB       VAL  13  21.527   4.807  -1.731
   94   HG11  VAL  13          HG11      VAL  13  21.740   3.941  -4.615
   95   HG12  VAL  13          HG12      VAL  13  23.041   4.101  -3.436
   96   HG13  VAL  13          HG13      VAL  13  22.240   5.540  -4.065
   97   HG21  VAL  13          HG21      VAL  13  19.046   5.054  -2.323
   98   HG22  VAL  13          HG22      VAL  13  19.564   5.094  -4.007
   99   HG23  VAL  13          HG23      VAL  13  20.113   6.339  -2.886
  100    H    LYS  14           HN       LYS  14  22.132   2.834  -0.377
  101    HA   LYS  14           HA       LYS  14  24.352   1.505  -1.553
  102    HB2  LYS  14           HB2      LYS  14  23.561   2.269   1.242
  103    HB3  LYS  14           HB1      LYS  14  24.879   1.113   1.026
  104    HG2  LYS  14           HG2      LYS  14  25.757   3.413   1.151
  105    HG3  LYS  14           HG1      LYS  14  26.051   2.722  -0.445
  106    HD2  LYS  14           HD2      LYS  14  24.132   3.911  -1.361
  107    HD3  LYS  14           HD1      LYS  14  23.711   4.517   0.239
  108    HE2  LYS  14           HE2      LYS  14  24.883   6.276  -0.922
  109    HE3  LYS  14           HE1      LYS  14  25.963   5.643   0.323
  110    HZ1  LYS  14           HZ1      LYS  14  27.322   5.654  -1.503
  111    HZ2  LYS  14           HZ2      LYS  14  26.070   5.286  -2.591
  112    HZ3  LYS  14           HZ3      LYS  14  26.710   4.075  -1.587
  113    H    TRP  15           HN       TRP  15  21.647   0.372   0.447
  114    HA   TRP  15           HA       TRP  15  22.463  -2.240   0.835
  115    HB2  TRP  15           HB2      TRP  15  20.097  -0.659   1.125
  116    HB3  TRP  15           HB1      TRP  15  19.636  -2.192   0.456
  117    HD1  TRP  15           HD1      TRP  15  21.663  -0.705   3.323
  118    HE1  TRP  15           HE1      TRP  15  21.551  -2.318   5.352
  119    HE3  TRP  15           HE3      TRP  15  19.135  -4.523   1.195
  120    HZ2  TRP  15           HZ2      TRP  15  20.507  -4.929   5.955
  121    HZ3  TRP  15           HZ3      TRP  15  18.583  -6.584   2.481
  122    HH2  TRP  15           HH2      TRP  15  19.272  -6.787   4.859
  123    H    ILE  16           HN       ILE  16  20.929  -0.719  -1.962
  124    HA   ILE  16           HA       ILE  16  20.401  -3.130  -3.376
  125    HB   ILE  16           HB       ILE  16  20.774  -0.298  -4.315
  126   HG12  ILE  16          HG12      ILE  16  18.283  -2.004  -4.261
  127   HG13  ILE  16          HG11      ILE  16  18.770  -1.022  -2.885
  128   HG21  ILE  16          HG21      ILE  16  20.112  -2.812  -5.852
  129   HG22  ILE  16          HG22      ILE  16  21.348  -1.608  -6.221
  130   HG23  ILE  16          HG23      ILE  16  19.641  -1.213  -6.432
  131   HD11  ILE  16          HD11      ILE  16  18.602   1.003  -4.150
  132   HD12  ILE  16          HD12      ILE  16  17.138   0.085  -4.503
  133   HD13  ILE  16          HD13      ILE  16  18.463   0.117  -5.667
  134    H    ILE  17           HN       ILE  17  23.139  -0.892  -3.377
  135    HA   ILE  17           HA       ILE  17  24.642  -2.225  -5.365
  136    HB   ILE  17           HB       ILE  17  25.487  -0.441  -3.090
  137   HG12  ILE  17          HG12      ILE  17  25.309   0.151  -6.051
  138   HG13  ILE  17          HG11      ILE  17  23.991   0.482  -4.925
  139   HG21  ILE  17          HG21      ILE  17  27.582  -0.157  -4.504
  140   HG22  ILE  17          HG22      ILE  17  27.054  -1.572  -5.417
  141   HG23  ILE  17          HG23      ILE  17  27.426  -1.719  -3.698
  142   HD11  ILE  17          HD11      ILE  17  26.808   1.585  -4.690
  143   HD12  ILE  17          HD12      ILE  17  25.469   1.933  -3.596
  144   HD13  ILE  17          HD13      ILE  17  25.407   2.486  -5.270
  145    H    ASP  18           HN       ASP  18  24.523  -2.460  -1.863
  146    HA   ASP  18           HA       ASP  18  26.601  -4.320  -1.508
  147    HB2  ASP  18           HB2      ASP  18  25.371  -2.963   0.269
  148    HB3  ASP  18           HB1      ASP  18  24.084  -4.162   0.155
  149    H    THR  19           HN       THR  19  23.222  -4.658  -2.407
  150    HA   THR  19           HA       THR  19  23.103  -7.495  -2.072
  151    HB   THR  19           HB       THR  19  21.360  -5.797  -3.838
  152    HG1  THR  19           HG1      THR  19  21.495  -6.145  -1.075
  153   HG21  THR  19          HG21      THR  19  21.031  -8.488  -2.495
  154   HG22  THR  19          HG22      THR  19  21.015  -8.146  -4.224
  155   HG23  THR  19          HG23      THR  19  19.688  -7.591  -3.203
  156    H    VAL  20           HN       VAL  20  23.559  -5.381  -4.887
  157    HA   VAL  20           HA       VAL  20  23.739  -7.456  -6.796
  158    HB   VAL  20           HB       VAL  20  24.872  -4.667  -6.817
  159   HG11  VAL  20          HG11      VAL  20  26.135  -5.890  -8.424
  160   HG12  VAL  20          HG12      VAL  20  24.859  -5.095  -9.347
  161   HG13  VAL  20          HG13      VAL  20  24.719  -6.806  -8.942
  162   HG21  VAL  20          HG21      VAL  20  22.924  -4.206  -8.263
  163   HG22  VAL  20          HG22      VAL  20  22.412  -4.805  -6.685
  164   HG23  VAL  20          HG23      VAL  20  22.399  -5.879  -8.083
  165    H    ASN  21           HN       ASN  21  26.150  -5.739  -4.873
  166    HA   ASN  21           HA       ASN  21  28.453  -6.919  -5.970
  167    HB2  ASN  21           HB2      ASN  21  28.514  -4.956  -4.510
  168    HB3  ASN  21           HB1      ASN  21  27.980  -5.950  -3.162
  169   HD21  ASN  21          HD21      ASN  21  30.656  -4.489  -3.916
  170   HD22  ASN  21          HD22      ASN  21  31.826  -5.676  -3.578
  171    H    LYS  22           HN       LYS  22  26.342  -7.920  -3.305
  172    HA   LYS  22           HA       LYS  22  27.927 -10.280  -2.741
  173    HB2  LYS  22           HB2      LYS  22  25.290  -9.293  -1.695
  174    HB3  LYS  22           HB1      LYS  22  26.013 -10.817  -1.186
  175    HG2  LYS  22           HG2      LYS  22  28.086  -9.513  -0.549
  176    HG3  LYS  22           HG1      LYS  22  27.174  -8.036  -0.849
  177    HD2  LYS  22           HD2      LYS  22  26.275 -10.202   1.072
  178    HD3  LYS  22           HD1      LYS  22  27.187  -8.779   1.567
  179    HE2  LYS  22           HE2      LYS  22  25.329  -7.402   0.435
  180    HE3  LYS  22           HE1      LYS  22  24.399  -8.899   0.412
  181    HZ1  LYS  22           HZ1      LYS  22  24.012  -8.766   2.583
  182    HZ2  LYS  22           HZ2      LYS  22  24.546  -7.157   2.488
  183    HZ3  LYS  22           HZ3      LYS  22  25.623  -8.387   2.950
  184    H    PHE  23           HN       PHE  23  25.535  -9.465  -4.996
  185    HA   PHE  23           HA       PHE  23  24.067 -11.855  -5.164
  186    HB2  PHE  23           HB2      PHE  23  23.450  -9.748  -6.321
  187    HB3  PHE  23           HB1      PHE  23  24.793 -10.016  -7.433
  188    HD1  PHE  23           HD2      PHE  23  21.765 -11.732  -6.052
  189    HD2  PHE  23           HD1      PHE  23  24.454 -11.306  -9.376
  190    HE1  PHE  23           HE2      PHE  23  20.342 -13.252  -7.400
  191    HE2  PHE  23           HE1      PHE  23  23.031 -12.827 -10.721
  192    HZ   PHE  23           HZ       PHE  23  20.975 -13.800  -9.734
  193    H    THR  24           HN       THR  24  27.070 -10.851  -6.780
  194    HA   THR  24           HA       THR  24  27.404 -13.588  -7.830
  195    HB   THR  24           HB       THR  24  29.032 -12.643  -9.359
  196    HG1  THR  24           HG1      THR  24  29.105 -10.738  -7.494
  197   HG21  THR  24          HG21      THR  24  26.511 -12.398  -9.768
  198   HG22  THR  24          HG22      THR  24  27.569 -11.334 -10.697
  199   HG23  THR  24          HG23      THR  24  26.713 -10.713  -9.286
  200    H    LYS  25           HN       LYS  25  28.088 -12.127  -5.116
  201    HA   LYS  25           HA       LYS  25  30.648 -13.547  -4.746
  202    HB2  LYS  25           HB2      LYS  25  30.012 -10.789  -3.672
  203    HB3  LYS  25           HB1      LYS  25  31.480 -11.708  -3.357
  204    HG2  LYS  25           HG2      LYS  25  30.577 -10.904  -6.137
  205    HG3  LYS  25           HG1      LYS  25  31.702  -9.956  -5.166
  206    HD2  LYS  25           HD2      LYS  25  33.086 -12.141  -4.985
  207    HD3  LYS  25           HD1      LYS  25  32.093 -12.722  -6.322
  208    HE2  LYS  25           HE2      LYS  25  33.694 -10.151  -6.376
  209    HE3  LYS  25           HE1      LYS  25  34.214 -11.672  -7.099
  210    HZ1  LYS  25           HZ1      LYS  25  33.002 -11.223  -8.874
  211    HZ2  LYS  25           HZ2      LYS  25  32.541  -9.734  -8.199
  212    HZ3  LYS  25           HZ3      LYS  25  31.594 -11.120  -7.934
  213    H    LYS  26           HN       LYS  26  30.835 -14.643  -2.846
  214    HA   LYS  26           HA       LYS  26  28.628 -15.492  -1.443
  215    HB2  LYS  26           HB2      LYS  26  31.465 -15.183  -0.445
  216    HB3  LYS  26           HB1      LYS  26  30.225 -16.185   0.316
  217    HG2  LYS  26           HG2      LYS  26  29.992 -17.505  -1.742
  218    HG3  LYS  26           HG1      LYS  26  31.197 -16.499  -2.544
  219    HD2  LYS  26           HD2      LYS  26  31.891 -17.895   0.034
  220    HD3  LYS  26           HD1      LYS  26  31.929 -18.785  -1.486
  221    HE2  LYS  26           HE2      LYS  26  33.457 -16.224  -0.930
  222    HE3  LYS  26           HE1      LYS  26  34.149 -17.844  -0.950
  223    HZ1  LYS  26           HZ1      LYS  26  34.548 -16.978  -3.066
  224    HZ2  LYS  26           HZ2      LYS  26  32.985 -16.323  -3.203
  225    HZ3  LYS  26           HZ3      LYS  26  33.215 -18.005  -3.277
  Start of MODEL   14
    1    H1   FME   1           HN       FME   1  12.245  13.767  12.759
    2    HCN  FME   1           HCN      FME   1  10.596  14.451  10.798
    3    HA   FME   1           HA       FME   1  13.747  12.250  11.747
    4    HB2  FME   1           HB2      FME   1  10.951  11.876  10.707
    5    HB3  FME   1           HB1      FME   1  12.229  10.720  10.337
    6    HG2  FME   1           HG2      FME   1  11.616  11.576  13.170
    7    HG3  FME   1           HG1      FME   1  10.782  10.224  12.404
    8    HE1  FME   1           HE1      FME   1  11.460   9.195  14.454
    9    HE2  FME   1           HE2      FME   1  12.922   9.861  15.174
   10    HE3  FME   1           HE3      FME   1  12.908   8.190  14.614
   11    H    ALA   2           HN       ALA   2  13.735  14.831  10.301
   12    HA   ALA   2           HA       ALA   2  13.590  14.462   7.515
   13    HB1  ALA   2           HB1      ALA   2  15.251  16.391   7.454
   14    HB2  ALA   2           HB2      ALA   2  15.239  16.334   9.217
   15    HB3  ALA   2           HB3      ALA   2  13.754  16.694   8.338
   16    H    GLN   3           HN       GLN   3  16.339  14.144   9.747
   17    HA   GLN   3           HA       GLN   3  18.250  13.375   7.818
   18    HB2  GLN   3           HB2      GLN   3  18.004  12.962  10.772
   19    HB3  GLN   3           HB1      GLN   3  19.361  12.318   9.880
   20    HG2  GLN   3           HG2      GLN   3  19.906  14.566   9.083
   21    HG3  GLN   3           HG1      GLN   3  18.518  15.210   9.941
   22   HE21  GLN   3          HE21      GLN   3  20.662  16.454  10.836
   23   HE22  GLN   3          HE22      GLN   3  21.280  15.793  12.272
   24    H    ASP   4           HN       ASP   4  16.353  11.453  10.090
   25    HA   ASP   4           HA       ASP   4  17.149   8.914   9.311
   26    HB2  ASP   4           HB2      ASP   4  15.824   9.283  11.303
   27    HB3  ASP   4           HB1      ASP   4  14.468   9.840  10.330
   28    H    ILE   5           HN       ILE   5  14.429  10.850   8.051
   29    HA   ILE   5           HA       ILE   5  13.519   8.919   6.199
   30    HB   ILE   5           HB       ILE   5  13.273  11.918   6.259
   31   HG12  ILE   5          HG12      ILE   5  11.172   9.790   6.693
   32   HG13  ILE   5          HG11      ILE   5  12.154  10.421   8.013
   33   HG21  ILE   5          HG21      ILE   5  13.029  11.349   3.950
   34   HG22  ILE   5          HG22      ILE   5  11.391  11.482   4.586
   35   HG23  ILE   5          HG23      ILE   5  12.113   9.892   4.337
   36   HD11  ILE   5          HD11      ILE   5  10.065  11.673   7.905
   37   HD12  ILE   5          HD12      ILE   5  10.330  12.024   6.198
   38   HD13  ILE   5          HD13      ILE   5  11.393  12.725   7.419
   39    H    ILE   6           HN       ILE   6  15.820  11.589   5.895
   40    HA   ILE   6           HA       ILE   6  16.399  11.151   3.142
   41    HB   ILE   6           HB       ILE   6  17.937  12.573   5.325
   42   HG12  ILE   6          HG12      ILE   6  16.467  13.688   2.923
   43   HG13  ILE   6          HG11      ILE   6  15.672  13.439   4.478
   44   HG21  ILE   6          HG21      ILE   6  19.582  11.933   3.711
   45   HG22  ILE   6          HG22      ILE   6  19.140  13.592   3.302
   46   HG23  ILE   6          HG23      ILE   6  18.486  12.249   2.366
   47   HD11  ILE   6          HD11      ILE   6  17.205  14.948   5.577
   48   HD12  ILE   6          HD12      ILE   6  16.578  15.768   4.146
   49   HD13  ILE   6          HD13      ILE   6  18.199  15.072   4.125
   50    H    SER   7           HN       SER   7  17.707   9.947   6.171
   51    HA   SER   7           HA       SER   7  19.964   8.614   5.073
   52    HB2  SER   7           HB2      SER   7  19.434   9.206   7.547
   53    HB3  SER   7           HB1      SER   7  18.538   7.694   7.545
   54    HG   SER   7           HG       SER   7  20.354   6.641   7.530
   55    H    THR   8           HN       THR   8  16.617   7.663   5.650
   56    HA   THR   8           HA       THR   8  16.860   4.903   5.244
   57    HB   THR   8           HB       THR   8  14.534   6.733   4.714
   58    HG1  THR   8           HG1      THR   8  14.675   5.006   6.872
   59   HG21  THR   8          HG21      THR   8  13.216   4.590   5.056
   60   HG22  THR   8          HG22      THR   8  14.743   3.723   4.872
   61   HG23  THR   8          HG23      THR   8  14.108   4.690   3.538
   62    H    ILE   9           HN       ILE   9  16.075   7.457   2.866
   63    HA   ILE   9           HA       ILE   9  15.711   5.721   0.670
   64    HB   ILE   9           HB       ILE   9  16.407   7.806  -0.685
   65   HG12  ILE   9          HG12      ILE   9  16.371   8.981   2.088
   66   HG13  ILE   9          HG11      ILE   9  17.756   8.909   1.004
   67   HG21  ILE   9          HG21      ILE   9  14.041   7.121  -0.071
   68   HG22  ILE   9          HG22      ILE   9  14.265   8.849  -0.319
   69   HG23  ILE   9          HG23      ILE   9  14.174   8.198   1.317
   70   HD11  ILE   9          HD11      ILE   9  16.298  10.224  -0.656
   71   HD12  ILE   9          HD12      ILE   9  16.924  11.102   0.740
   72   HD13  ILE   9          HD13      ILE   9  15.248  10.554   0.721
   73    H    GLY  10           HN       GLY  10  18.580   7.525   1.676
   74    HA2  GLY  10           HA2      GLY  10  20.301   6.505  -0.313
   75    HA3  GLY  10           HA1      GLY  10  20.829   7.189   1.230
   76    H    ASP  11           HN       ASP  11  19.351   5.282   2.860
   77    HA   ASP  11           HA       ASP  11  21.269   3.249   3.131
   78    HB2  ASP  11           HB2      ASP  11  19.498   3.958   4.831
   79    HB3  ASP  11           HB1      ASP  11  18.369   2.977   3.901
   80    H    LEU  12           HN       LEU  12  18.121   3.311   1.527
   81    HA   LEU  12           HA       LEU  12  18.131   0.660   0.543
   82    HB2  LEU  12           HB2      LEU  12  16.081   1.961   0.622
   83    HB3  LEU  12           HB1      LEU  12  16.747   3.165  -0.476
   84    HG   LEU  12           HG       LEU  12  16.859   1.502  -2.277
   85   HD11  LEU  12          HD11      LEU  12  16.004  -0.374  -0.068
   86   HD12  LEU  12          HD12      LEU  12  17.306  -0.570  -1.242
   87   HD13  LEU  12          HD13      LEU  12  15.629  -0.746  -1.751
   88   HD21  LEU  12          HD21      LEU  12  14.744   2.765  -1.867
   89   HD22  LEU  12          HD22      LEU  12  14.161   1.414  -0.895
   90   HD23  LEU  12          HD23      LEU  12  14.466   1.192  -2.618
   91    H    VAL  13           HN       VAL  13  19.399   3.718  -0.787
   92    HA   VAL  13           HA       VAL  13  20.030   2.738  -3.348
   93    HB   VAL  13           HB       VAL  13  21.392   4.843  -1.676
   94   HG11  VAL  13          HG11      VAL  13  22.196   5.643  -3.956
   95   HG12  VAL  13          HG12      VAL  13  21.720   4.062  -4.575
   96   HG13  VAL  13          HG13      VAL  13  22.973   4.184  -3.341
   97   HG21  VAL  13          HG21      VAL  13  20.019   6.400  -2.859
   98   HG22  VAL  13          HG22      VAL  13  18.940   5.104  -2.337
   99   HG23  VAL  13          HG23      VAL  13  19.501   5.167  -4.009
  100    H    LYS  14           HN       LYS  14  21.972   2.858  -0.370
  101    HA   LYS  14           HA       LYS  14  24.215   1.530  -1.499
  102    HB2  LYS  14           HB2      LYS  14  23.351   2.260   1.281
  103    HB3  LYS  14           HB1      LYS  14  24.659   1.092   1.089
  104    HG2  LYS  14           HG2      LYS  14  25.584   3.354   1.275
  105    HG3  LYS  14           HG1      LYS  14  25.879   2.718  -0.343
  106    HD2  LYS  14           HD2      LYS  14  23.974   3.980  -1.217
  107    HD3  LYS  14           HD1      LYS  14  23.594   4.565   0.403
  108    HE2  LYS  14           HE2      LYS  14  24.827   6.312  -0.700
  109    HE3  LYS  14           HE1      LYS  14  25.918   5.571   0.474
  110    HZ1  LYS  14           HZ1      LYS  14  25.816   5.059  -2.447
  111    HZ2  LYS  14           HZ2      LYS  14  26.751   4.150  -1.357
  112    HZ3  LYS  14           HZ3      LYS  14  27.070   5.804  -1.583
  113    H    TRP  15           HN       TRP  15  21.440   0.372   0.389
  114    HA   TRP  15           HA       TRP  15  22.246  -2.243   0.759
  115    HB2  TRP  15           HB2      TRP  15  19.865  -0.669   0.985
  116    HB3  TRP  15           HB1      TRP  15  19.433  -2.195   0.289
  117    HD1  TRP  15           HD1      TRP  15  21.373  -0.740   3.231
  118    HE1  TRP  15           HE1      TRP  15  21.200  -2.382   5.235
  119    HE3  TRP  15           HE3      TRP  15  18.913  -4.514   0.965
  120    HZ2  TRP  15           HZ2      TRP  15  20.129  -5.009   5.756
  121    HZ3  TRP  15           HZ3      TRP  15  18.316  -6.596   2.194
  122    HH2  TRP  15           HH2      TRP  15  18.927  -6.845   4.588
  123    H    ILE  16           HN       ILE  16  20.801  -0.674  -2.060
  124    HA   ILE  16           HA       ILE  16  20.326  -3.059  -3.535
  125    HB   ILE  16           HB       ILE  16  20.770  -0.220  -4.424
  126   HG12  ILE  16          HG12      ILE  16  18.262  -1.903  -4.513
  127   HG13  ILE  16          HG11      ILE  16  18.686  -0.935  -3.104
  128   HG21  ILE  16          HG21      ILE  16  19.741  -1.102  -6.604
  129   HG22  ILE  16          HG22      ILE  16  20.153  -2.713  -6.014
  130   HG23  ILE  16          HG23      ILE  16  21.427  -1.530  -6.304
  131   HD11  ILE  16          HD11      ILE  16  17.148   0.183  -4.819
  132   HD12  ILE  16          HD12      ILE  16  18.551   0.242  -5.887
  133   HD13  ILE  16          HD13      ILE  16  18.577   1.102  -4.346
  134    H    ILE  17           HN       ILE  17  23.081  -0.841  -3.388
  135    HA   ILE  17           HA       ILE  17  24.661  -2.180  -5.314
  136    HB   ILE  17           HB       ILE  17  25.419  -0.390  -3.015
  137   HG12  ILE  17          HG12      ILE  17  25.412   0.181  -5.986
  138   HG13  ILE  17          HG11      ILE  17  24.021   0.514  -4.949
  139   HG21  ILE  17          HG21      ILE  17  27.581  -0.140  -4.344
  140   HG22  ILE  17          HG22      ILE  17  27.085  -1.569  -5.247
  141   HG23  ILE  17          HG23      ILE  17  27.378  -1.682  -3.512
  142   HD11  ILE  17          HD11      ILE  17  26.817   1.642  -4.594
  143   HD12  ILE  17          HD12      ILE  17  25.454   1.947  -3.516
  144   HD13  ILE  17          HD13      ILE  17  25.412   2.530  -5.181
  145    H    ASP  18           HN       ASP  18  24.415  -2.446  -1.815
  146    HA   ASP  18           HA       ASP  18  26.497  -4.285  -1.417
  147    HB2  ASP  18           HB2      ASP  18  25.159  -2.998   0.335
  148    HB3  ASP  18           HB1      ASP  18  23.904  -4.219   0.132
  149    H    THR  19           HN       THR  19  23.161  -4.658  -2.452
  150    HA   THR  19           HA       THR  19  23.042  -7.490  -2.202
  151    HB   THR  19           HB       THR  19  21.457  -5.628  -3.961
  152    HG1  THR  19           HG1      THR  19  21.524  -5.795  -1.411
  153   HG21  THR  19          HG21      THR  19  21.160  -8.549  -3.260
  154   HG22  THR  19          HG22      THR  19  21.185  -7.809  -4.861
  155   HG23  THR  19          HG23      THR  19  19.794  -7.575  -3.806
  156    H    VAL  20           HN       VAL  20  23.706  -5.351  -4.961
  157    HA   VAL  20           HA       VAL  20  24.083  -7.410  -6.859
  158    HB   VAL  20           HB       VAL  20  25.150  -4.597  -6.773
  159   HG11  VAL  20          HG11      VAL  20  25.206  -6.714  -8.927
  160   HG12  VAL  20          HG12      VAL  20  26.559  -5.785  -8.287
  161   HG13  VAL  20          HG13      VAL  20  25.348  -4.995  -9.295
  162   HG21  VAL  20          HG21      VAL  20  23.307  -4.218  -8.415
  163   HG22  VAL  20          HG22      VAL  20  22.715  -4.719  -6.832
  164   HG23  VAL  20          HG23      VAL  20  22.780  -5.882  -8.157
  165    H    ASN  21           HN       ASN  21  26.307  -5.646  -4.759
  166    HA   ASN  21           HA       ASN  21  28.710  -6.761  -5.690
  167    HB2  ASN  21           HB2      ASN  21  28.592  -4.806  -4.211
  168    HB3  ASN  21           HB1      ASN  21  28.024  -5.846  -2.910
  169   HD21  ASN  21          HD21      ASN  21  30.676  -4.267  -3.477
  170   HD22  ASN  21          HD22      ASN  21  31.872  -5.413  -3.094
  171    H    LYS  22           HN       LYS  22  26.439  -7.849  -3.206
  172    HA   LYS  22           HA       LYS  22  28.046 -10.148  -2.502
  173    HB2  LYS  22           HB2      LYS  22  25.282  -9.260  -1.731
  174    HB3  LYS  22           HB1      LYS  22  25.989 -10.771  -1.158
  175    HG2  LYS  22           HG2      LYS  22  27.944  -9.422  -0.290
  176    HG3  LYS  22           HG1      LYS  22  27.040  -7.964  -0.688
  177    HD2  LYS  22           HD2      LYS  22  25.993 -10.151   1.131
  178    HD3  LYS  22           HD1      LYS  22  26.800  -8.698   1.712
  179    HE2  LYS  22           HE2      LYS  22  25.037  -7.387   0.370
  180    HE3  LYS  22           HE1      LYS  22  24.161  -8.913   0.261
  181    HZ1  LYS  22           HZ1      LYS  22  24.914  -7.431   2.710
  182    HZ2  LYS  22           HZ2      LYS  22  24.373  -9.041   2.736
  183    HZ3  LYS  22           HZ3      LYS  22  23.354  -7.809   2.160
  184    H    PHE  23           HN       PHE  23  26.286  -9.492  -5.169
  185    HA   PHE  23           HA       PHE  23  24.630 -11.725  -5.538
  186    HB2  PHE  23           HB2      PHE  23  24.615  -9.725  -6.993
  187    HB3  PHE  23           HB1      PHE  23  26.172 -10.228  -7.645
  188    HD1  PHE  23           HD2      PHE  23  22.641 -11.349  -7.190
  189    HD2  PHE  23           HD1      PHE  23  26.299 -11.829  -9.392
  190    HE1  PHE  23           HE2      PHE  23  21.484 -12.854  -8.784
  191    HE2  PHE  23           HE1      PHE  23  25.142 -13.334 -10.986
  192    HZ   PHE  23           HZ       PHE  23  22.734 -13.847 -10.682
  193    H    THR  24           HN       THR  24  28.070 -11.268  -6.322
  194    HA   THR  24           HA       THR  24  28.626 -14.041  -6.016
  195    HB   THR  24           HB       THR  24  28.732 -12.916  -8.827
  196    HG1  THR  24           HG1      THR  24  27.286 -15.046  -8.763
  197   HG21  THR  24          HG21      THR  24  29.305 -15.334  -9.335
  198   HG22  THR  24          HG22      THR  24  29.530 -15.559  -7.600
  199   HG23  THR  24          HG23      THR  24  30.555 -14.429  -8.482
  200    H    LYS  25           HN       LYS  25  30.019 -12.838  -4.562
  201    HA   LYS  25           HA       LYS  25  31.896 -10.945  -5.015
  202    HB2  LYS  25           HB2      LYS  25  32.509 -13.546  -3.593
  203    HB3  LYS  25           HB1      LYS  25  33.316 -12.001  -3.349
  204    HG2  LYS  25           HG2      LYS  25  30.372 -12.506  -2.824
  205    HG3  LYS  25           HG1      LYS  25  31.625 -12.498  -1.585
  206    HD2  LYS  25           HD2      LYS  25  32.197 -10.120  -2.505
  207    HD3  LYS  25           HD1      LYS  25  30.593 -10.197  -3.241
  208    HE2  LYS  25           HE2      LYS  25  31.337 -10.160  -0.329
  209    HE3  LYS  25           HE1      LYS  25  30.110  -9.217  -1.175
  210    HZ1  LYS  25           HZ1      LYS  25  30.015 -12.088  -0.451
  211    HZ2  LYS  25           HZ2      LYS  25  28.931 -11.384  -1.550
  212    HZ3  LYS  25           HZ3      LYS  25  28.976 -10.853   0.064
  213    H    LYS  26           HN       LYS  26  32.165 -14.349  -5.988
  214    HA   LYS  26           HA       LYS  26  34.795 -14.113  -7.053
  215    HB2  LYS  26           HB2      LYS  26  32.604 -16.143  -7.530
  216    HB3  LYS  26           HB1      LYS  26  34.230 -16.280  -8.196
  217    HG2  LYS  26           HG2      LYS  26  35.164 -16.244  -5.927
  218    HG3  LYS  26           HG1      LYS  26  33.539 -16.068  -5.256
  219    HD2  LYS  26           HD2      LYS  26  32.877 -18.218  -6.235
  220    HD3  LYS  26           HD1      LYS  26  34.477 -18.396  -6.957
  221    HE2  LYS  26           HE2      LYS  26  34.603 -19.666  -4.979
  222    HE3  LYS  26           HE1      LYS  26  35.376 -18.143  -4.554
  223    HZ1  LYS  26           HZ1      LYS  26  33.432 -19.240  -3.120
  224    HZ2  LYS  26           HZ2      LYS  26  32.501 -18.271  -4.162
  225    HZ3  LYS  26           HZ3      LYS  26  33.702 -17.566  -3.189
  Start of MODEL   15
    1    H1   FME   1           HN       FME   1  10.951  13.553  11.414
    2    HCN  FME   1           HCN      FME   1  13.062  15.240  11.597
    3    HA   FME   1           HA       FME   1  13.356  11.987  11.492
    4    HB2  FME   1           HB2      FME   1  10.995  11.489   9.685
    5    HB3  FME   1           HB1      FME   1  12.118  10.313  10.368
    6    HG2  FME   1           HG2      FME   1  11.268  10.838  12.637
    7    HG3  FME   1           HG1      FME   1  10.116  11.972  11.931
    8    HE1  FME   1           HE1      FME   1   9.421   9.849  13.846
    9    HE2  FME   1           HE2      FME   1   8.136   8.826  13.210
   10    HE3  FME   1           HE3      FME   1   7.999  10.579  13.089
   11    H    ALA   2           HN       ALA   2  13.410  14.659  10.184
   12    HA   ALA   2           HA       ALA   2  13.557  14.440   7.390
   13    HB1  ALA   2           HB1      ALA   2  14.987  16.448   7.492
   14    HB2  ALA   2           HB2      ALA   2  15.171  16.224   9.232
   15    HB3  ALA   2           HB3      ALA   2  13.589  16.604   8.554
   16    H    GLN   3           HN       GLN   3  16.110  14.086   9.846
   17    HA   GLN   3           HA       GLN   3  18.181  13.443   8.031
   18    HB2  GLN   3           HB2      GLN   3  17.748  13.086  10.968
   19    HB3  GLN   3           HB1      GLN   3  19.138  12.340  10.208
   20    HG2  GLN   3           HG2      GLN   3  18.462  15.265   9.946
   21    HG3  GLN   3           HG1      GLN   3  19.578  14.635  11.151
   22   HE21  GLN   3          HE21      GLN   3  19.690  16.184   8.288
   23   HE22  GLN   3          HE22      GLN   3  21.071  15.473   7.602
   24    H    ASP   4           HN       ASP   4  16.242  11.378  10.149
   25    HA   ASP   4           HA       ASP   4  17.223   8.909   9.288
   26    HB2  ASP   4           HB2      ASP   4  15.876   9.195  11.308
   27    HB3  ASP   4           HB1      ASP   4  14.472   9.590  10.321
   28    H    ILE   5           HN       ILE   5  14.419  10.762   8.093
   29    HA   ILE   5           HA       ILE   5  13.567   8.836   6.216
   30    HB   ILE   5           HB       ILE   5  13.233  11.827   6.302
   31   HG12  ILE   5          HG12      ILE   5  12.139  10.149   8.019
   32   HG13  ILE   5          HG11      ILE   5  11.159  11.431   7.316
   33   HG21  ILE   5          HG21      ILE   5  12.973  11.361   4.007
   34   HG22  ILE   5          HG22      ILE   5  11.325  11.305   4.636
   35   HG23  ILE   5          HG23      ILE   5  12.201   9.807   4.323
   36   HD11  ILE   5          HD11      ILE   5  11.292   8.720   5.996
   37   HD12  ILE   5          HD12      ILE   5  10.041   9.951   5.868
   38   HD13  ILE   5          HD13      ILE   5  10.203   9.005   7.347
   39    H    ILE   6           HN       ILE   6  15.777  11.585   5.953
   40    HA   ILE   6           HA       ILE   6  16.343  11.218   3.186
   41    HB   ILE   6           HB       ILE   6  17.868  12.614   5.396
   42   HG12  ILE   6          HG12      ILE   6  15.519  13.419   4.519
   43   HG13  ILE   6          HG11      ILE   6  16.817  14.595   4.704
   44   HG21  ILE   6          HG21      ILE   6  18.978  13.767   3.358
   45   HG22  ILE   6          HG22      ILE   6  18.423  12.368   2.441
   46   HG23  ILE   6          HG23      ILE   6  19.534  12.150   3.793
   47   HD11  ILE   6          HD11      ILE   6  15.418  14.565   2.485
   48   HD12  ILE   6          HD12      ILE   6  16.438  13.195   2.062
   49   HD13  ILE   6          HD13      ILE   6  17.169  14.758   2.394
   50    H    SER   7           HN       SER   7  17.623   9.894   6.158
   51    HA   SER   7           HA       SER   7  19.947   8.698   4.979
   52    HB2  SER   7           HB2      SER   7  19.473   9.252   7.482
   53    HB3  SER   7           HB1      SER   7  18.657   7.696   7.490
   54    HG   SER   7           HG       SER   7  20.989   7.460   6.213
   55    H    THR   8           HN       THR   8  16.642   7.706   5.592
   56    HA   THR   8           HA       THR   8  16.887   4.941   5.201
   57    HB   THR   8           HB       THR   8  14.557   6.759   4.630
   58    HG1  THR   8           HG1      THR   8  15.026   6.901   6.745
   59   HG21  THR   8          HG21      THR   8  14.784   3.760   4.891
   60   HG22  THR   8          HG22      THR   8  14.154   4.676   3.520
   61   HG23  THR   8          HG23      THR   8  13.252   4.621   5.034
   62    H    ILE   9           HN       ILE   9  16.117   7.499   2.846
   63    HA   ILE   9           HA       ILE   9  15.728   5.803   0.628
   64    HB   ILE   9           HB       ILE   9  16.431   7.920  -0.678
   65   HG12  ILE   9          HG12      ILE   9  16.438   9.023   2.129
   66   HG13  ILE   9          HG11      ILE   9  17.814   8.958   1.037
   67   HG21  ILE   9          HG21      ILE   9  14.223   8.201   1.372
   68   HG22  ILE   9          HG22      ILE   9  14.077   7.255  -0.107
   69   HG23  ILE   9          HG23      ILE   9  14.298   8.998  -0.198
   70   HD11  ILE   9          HD11      ILE   9  16.981  11.178   0.886
   71   HD12  ILE   9          HD12      ILE   9  15.313  10.620   0.766
   72   HD13  ILE   9          HD13      ILE   9  16.429  10.360  -0.575
   73    H    GLY  10           HN       GLY  10  18.619   7.557   1.657
   74    HA2  GLY  10           HA2      GLY  10  20.322   6.541  -0.353
   75    HA3  GLY  10           HA1      GLY  10  20.860   7.212   1.191
   76    H    ASP  11           HN       ASP  11  19.421   5.322   2.846
   77    HA   ASP  11           HA       ASP  11  21.319   3.271   3.077
   78    HB2  ASP  11           HB2      ASP  11  19.549   4.005   4.794
   79    HB3  ASP  11           HB1      ASP  11  18.436   2.979   3.898
   80    H    LEU  12           HN       LEU  12  18.167   3.370   1.487
   81    HA   LEU  12           HA       LEU  12  18.142   0.706   0.544
   82    HB2  LEU  12           HB2      LEU  12  16.104   2.022   0.594
   83    HB3  LEU  12           HB1      LEU  12  16.784   3.208  -0.517
   84    HG   LEU  12           HG       LEU  12  16.908   1.505  -2.290
   85   HD11  LEU  12          HD11      LEU  12  16.020  -0.311  -0.049
   86   HD12  LEU  12          HD12      LEU  12  17.319  -0.549  -1.217
   87   HD13  LEU  12          HD13      LEU  12  15.641  -0.717  -1.721
   88   HD21  LEU  12          HD21      LEU  12  14.784   2.809  -1.843
   89   HD22  LEU  12          HD22      LEU  12  14.181   1.393  -0.982
   90   HD23  LEU  12          HD23      LEU  12  14.551   1.287  -2.703
   91    H    VAL  13           HN       VAL  13  19.433   3.734  -0.848
   92    HA   VAL  13           HA       VAL  13  20.052   2.688  -3.386
   93    HB   VAL  13           HB       VAL  13  21.419   4.830  -1.762
   94   HG11  VAL  13          HG11      VAL  13  22.266   5.540  -4.072
   95   HG12  VAL  13          HG12      VAL  13  21.818   3.922  -4.614
   96   HG13  VAL  13          HG13      VAL  13  23.041   4.125  -3.359
   97   HG21  VAL  13          HG21      VAL  13  19.387   4.890  -4.007
   98   HG22  VAL  13          HG22      VAL  13  20.185   6.319  -3.351
   99   HG23  VAL  13          HG23      VAL  13  19.114   5.360  -2.330
  100    H    LYS  14           HN       LYS  14  21.999   2.875  -0.420
  101    HA   LYS  14           HA       LYS  14  24.241   1.513  -1.461
  102    HB2  LYS  14           HB2      LYS  14  23.338   1.771   1.415
  103    HB3  LYS  14           HB1      LYS  14  24.965   1.345   0.871
  104    HG2  LYS  14           HG2      LYS  14  23.536   3.965   0.363
  105    HG3  LYS  14           HG1      LYS  14  24.878   3.718   1.471
  106    HD2  LYS  14           HD2      LYS  14  26.165   2.882  -0.622
  107    HD3  LYS  14           HD1      LYS  14  24.869   3.659  -1.539
  108    HE2  LYS  14           HE2      LYS  14  25.330   5.799  -0.478
  109    HE3  LYS  14           HE1      LYS  14  26.565   5.060   0.545
  110    HZ1  LYS  14           HZ1      LYS  14  26.697   5.845  -2.232
  111    HZ2  LYS  14           HZ2      LYS  14  27.345   4.307  -1.911
  112    HZ3  LYS  14           HZ3      LYS  14  27.940   5.672  -1.093
  113    H    TRP  15           HN       TRP  15  21.431   0.387   0.388
  114    HA   TRP  15           HA       TRP  15  22.231  -2.225   0.816
  115    HB2  TRP  15           HB2      TRP  15  19.848  -0.642   0.977
  116    HB3  TRP  15           HB1      TRP  15  19.429  -2.188   0.318
  117    HD1  TRP  15           HD1      TRP  15  21.307  -0.636   3.253
  118    HE1  TRP  15           HE1      TRP  15  21.110  -2.221   5.298
  119    HE3  TRP  15           HE3      TRP  15  18.915  -4.509   1.063
  120    HZ2  TRP  15           HZ2      TRP  15  20.059  -4.833   5.888
  121    HZ3  TRP  15           HZ3      TRP  15  18.318  -6.556   2.352
  122    HH2  TRP  15           HH2      TRP  15  18.893  -6.718   4.763
  123    H    ILE  16           HN       ILE  16  20.821  -0.697  -2.041
  124    HA   ILE  16           HA       ILE  16  20.349  -3.101  -3.493
  125    HB   ILE  16           HB       ILE  16  20.770  -0.262  -4.395
  126   HG12  ILE  16          HG12      ILE  16  18.268  -1.953  -4.453
  127   HG13  ILE  16          HG11      ILE  16  18.706  -0.988  -3.049
  128   HG21  ILE  16          HG21      ILE  16  19.715  -1.155  -6.560
  129   HG22  ILE  16          HG22      ILE  16  20.150  -2.761  -5.976
  130   HG23  ILE  16          HG23      ILE  16  21.409  -1.566  -6.287
  131   HD11  ILE  16          HD11      ILE  16  18.550   0.202  -5.821
  132   HD12  ILE  16          HD12      ILE  16  18.562   1.048  -4.273
  133   HD13  ILE  16          HD13      ILE  16  17.144   0.119  -4.760
  134    H    ILE  17           HN       ILE  17  23.080  -0.861  -3.372
  135    HA   ILE  17           HA       ILE  17  24.670  -2.185  -5.300
  136    HB   ILE  17           HB       ILE  17  25.415  -0.393  -2.996
  137   HG12  ILE  17          HG12      ILE  17  25.347   0.199  -5.962
  138   HG13  ILE  17          HG11      ILE  17  23.982   0.517  -4.888
  139   HG21  ILE  17          HG21      ILE  17  27.388  -1.636  -3.515
  140   HG22  ILE  17          HG22      ILE  17  27.554  -0.098  -4.362
  141   HG23  ILE  17          HG23      ILE  17  27.070  -1.545  -5.246
  142   HD11  ILE  17          HD11      ILE  17  25.442   2.521  -5.211
  143   HD12  ILE  17          HD12      ILE  17  26.776   1.626  -4.483
  144   HD13  ILE  17          HD13      ILE  17  25.346   2.009  -3.526
  145    H    ASP  18           HN       ASP  18  24.401  -2.421  -1.812
  146    HA   ASP  18           HA       ASP  18  26.484  -4.238  -1.338
  147    HB2  ASP  18           HB2      ASP  18  25.144  -2.941   0.377
  148    HB3  ASP  18           HB1      ASP  18  23.851  -4.118   0.144
  149    H    THR  19           HN       THR  19  23.168  -4.675  -2.430
  150    HA   THR  19           HA       THR  19  23.134  -7.518  -2.119
  151    HB   THR  19           HB       THR  19  21.408  -5.726  -3.815
  152    HG1  THR  19           HG1      THR  19  20.779  -6.973  -1.370
  153   HG21  THR  19          HG21      THR  19  21.220  -7.944  -4.680
  154   HG22  THR  19          HG22      THR  19  19.829  -7.719  -3.618
  155   HG23  THR  19          HG23      THR  19  21.223  -8.644  -3.060
  156    H    VAL  20           HN       VAL  20  23.655  -5.367  -4.902
  157    HA   VAL  20           HA       VAL  20  23.966  -7.411  -6.827
  158    HB   VAL  20           HB       VAL  20  25.092  -4.614  -6.734
  159   HG11  VAL  20          HG11      VAL  20  25.245  -4.966  -9.253
  160   HG12  VAL  20          HG12      VAL  20  25.018  -6.687  -8.933
  161   HG13  VAL  20          HG13      VAL  20  26.431  -5.848  -8.290
  162   HG21  VAL  20          HG21      VAL  20  23.202  -4.008  -8.073
  163   HG22  VAL  20          HG22      VAL  20  22.566  -4.968  -6.737
  164   HG23  VAL  20          HG23      VAL  20  22.764  -5.697  -8.331
  165    H    ASN  21           HN       ASN  21  26.266  -5.689  -4.771
  166    HA   ASN  21           HA       ASN  21  28.626  -6.880  -5.736
  167    HB2  ASN  21           HB2      ASN  21  28.609  -4.920  -4.257
  168    HB3  ASN  21           HB1      ASN  21  27.993  -5.923  -2.952
  169   HD21  ASN  21          HD21      ASN  21  30.715  -4.475  -3.536
  170   HD22  ASN  21          HD22      ASN  21  31.858  -5.673  -3.142
  171    H    LYS  22           HN       LYS  22  26.312  -7.850  -3.258
  172    HA   LYS  22           HA       LYS  22  27.717 -10.075  -2.267
  173    HB2  LYS  22           HB2      LYS  22  25.590  -8.887  -1.332
  174    HB3  LYS  22           HB1      LYS  22  24.722  -9.978  -2.404
  175    HG2  LYS  22           HG2      LYS  22  25.676 -11.920  -1.321
  176    HG3  LYS  22           HG1      LYS  22  26.748 -10.910  -0.357
  177    HD2  LYS  22           HD2      LYS  22  24.836 -11.615   0.998
  178    HD3  LYS  22           HD1      LYS  22  24.785  -9.874   0.738
  179    HE2  LYS  22           HE2      LYS  22  22.587 -11.195   0.418
  180    HE3  LYS  22           HE1      LYS  22  23.031 -10.043  -0.837
  181    HZ1  LYS  22           HZ1      LYS  22  23.740 -11.741  -2.243
  182    HZ2  LYS  22           HZ2      LYS  22  22.319 -12.362  -1.555
  183    HZ3  LYS  22           HZ3      LYS  22  23.834 -12.882  -0.993
  184    H    PHE  23           HN       PHE  23  25.578  -9.659  -5.022
  185    HA   PHE  23           HA       PHE  23  25.035 -12.336  -5.613
  186    HB2  PHE  23           HB2      PHE  23  23.980 -10.344  -6.718
  187    HB3  PHE  23           HB1      PHE  23  25.476 -10.145  -7.628
  188    HD1  PHE  23           HD1      PHE  23  22.801 -12.632  -6.860
  189    HD2  PHE  23           HD2      PHE  23  25.885 -11.408  -9.588
  190    HE1  PHE  23           HE1      PHE  23  22.066 -14.369  -8.469
  191    HE2  PHE  23           HE2      PHE  23  25.148 -13.146 -11.198
  192    HZ   PHE  23           HZ       PHE  23  23.240 -14.626 -10.638
  193    H    THR  24           HN       THR  24  27.746 -10.286  -6.641
  194    HA   THR  24           HA       THR  24  29.049 -12.581  -7.932
  195    HB   THR  24           HB       THR  24  29.074 -10.520  -9.205
  196    HG1  THR  24           HG1      THR  24  31.427 -11.476  -8.058
  197   HG21  THR  24          HG21      THR  24  30.160  -8.492  -8.297
  198   HG22  THR  24          HG22      THR  24  30.387  -9.312  -6.754
  199   HG23  THR  24          HG23      THR  24  28.759  -8.958  -7.333
  200    H    LYS  25           HN       LYS  25  28.718 -12.497  -5.062
  201    HA   LYS  25           HA       LYS  25  31.156 -11.739  -3.811
  202    HB2  LYS  25           HB2      LYS  25  29.078 -11.951  -2.547
  203    HB3  LYS  25           HB1      LYS  25  29.000 -13.667  -2.914
  204    HG2  LYS  25           HG2      LYS  25  29.869 -13.422  -0.675
  205    HG3  LYS  25           HG1      LYS  25  31.206 -13.933  -1.696
  206    HD2  LYS  25           HD2      LYS  25  32.124 -11.736  -1.766
  207    HD3  LYS  25           HD1      LYS  25  30.654 -11.017  -1.112
  208    HE2  LYS  25           HE2      LYS  25  32.461 -12.945   0.372
  209    HE3  LYS  25           HE1      LYS  25  32.447 -11.196   0.596
  210    HZ1  LYS  25           HZ1      LYS  25  30.036 -11.420   1.127
  211    HZ2  LYS  25           HZ2      LYS  25  31.078 -12.134   2.262
  212    HZ3  LYS  25           HZ3      LYS  25  30.244 -13.103   1.142
  213    H    LYS  26           HN       LYS  26  33.011 -12.849  -3.498
  214    HA   LYS  26           HA       LYS  26  33.531 -15.165  -5.089
  215    HB2  LYS  26           HB2      LYS  26  35.171 -13.738  -2.987
  216    HB3  LYS  26           HB1      LYS  26  35.773 -15.080  -3.966
  217    HG2  LYS  26           HG2      LYS  26  35.327 -13.796  -6.013
  218    HG3  LYS  26           HG1      LYS  26  34.685 -12.465  -5.048
  219    HD2  LYS  26           HD2      LYS  26  36.893 -12.281  -3.898
  220    HD3  LYS  26           HD1      LYS  26  37.524 -13.527  -4.977
  221    HE2  LYS  26           HE2      LYS  26  36.294 -10.929  -5.922
  222    HE3  LYS  26           HE1      LYS  26  38.029 -11.195  -5.746
  223    HZ1  LYS  26           HZ1      LYS  26  36.440 -11.839  -7.920
  224    HZ2  LYS  26           HZ2      LYS  26  36.862 -13.318  -7.199
  225    HZ3  LYS  26           HZ3      LYS  26  38.072 -12.231  -7.688
  Start of MODEL   16
    1    H1   FME   1           HN       FME   1  10.975  13.639  11.494
    2    HCN  FME   1           HCN      FME   1  12.369  15.622  11.859
    3    HA   FME   1           HA       FME   1  13.408  12.124  11.586
    4    HB2  FME   1           HB2      FME   1  10.845  11.624  10.053
    5    HB3  FME   1           HB1      FME   1  12.140  10.452  10.301
    6    HG2  FME   1           HG2      FME   1  11.774  10.426  12.676
    7    HG3  FME   1           HG1      FME   1  10.680  11.806  12.581
    8    HE1  FME   1           HE1      FME   1   8.266  11.325  13.053
    9    HE2  FME   1           HE2      FME   1   9.237  10.310  14.117
   10    HE3  FME   1           HE3      FME   1   7.798   9.645  13.348
   11    H    ALA   2           HN       ALA   2  13.357  14.731  10.128
   12    HA   ALA   2           HA       ALA   2  13.451  14.390   7.353
   13    HB1  ALA   2           HB1      ALA   2  15.001  16.375   7.393
   14    HB2  ALA   2           HB2      ALA   2  14.999  16.265   9.153
   15    HB3  ALA   2           HB3      ALA   2  13.501  16.609   8.290
   16    H    GLN   3           HN       GLN   3  16.069  14.144   9.745
   17    HA   GLN   3           HA       GLN   3  18.095  13.444   7.909
   18    HB2  GLN   3           HB2      GLN   3  17.729  13.124  10.862
   19    HB3  GLN   3           HB1      GLN   3  19.124  12.424  10.068
   20    HG2  GLN   3           HG2      GLN   3  18.327  15.322   9.815
   21    HG3  GLN   3           HG1      GLN   3  19.506  14.744  10.986
   22   HE21  GLN   3          HE21      GLN   3  19.394  16.226   8.049
   23   HE22  GLN   3          HE22      GLN   3  20.812  15.605   7.350
   24    H    ASP   4           HN       ASP   4  16.159  11.429  10.088
   25    HA   ASP   4           HA       ASP   4  17.140   8.940   9.288
   26    HB2  ASP   4           HB2      ASP   4  15.780   9.187  11.273
   27    HB3  ASP   4           HB1      ASP   4  14.399   9.682  10.302
   28    H    ILE   5           HN       ILE   5  14.341  10.756   8.020
   29    HA   ILE   5           HA       ILE   5  13.528   8.800   6.148
   30    HB   ILE   5           HB       ILE   5  13.193  11.799   6.162
   31   HG12  ILE   5          HG12      ILE   5  11.123   9.642   6.619
   32   HG13  ILE   5          HG11      ILE   5  12.076  10.307   7.940
   33   HG21  ILE   5          HG21      ILE   5  12.976  11.189   3.869
   34   HG22  ILE   5          HG22      ILE   5  11.323  11.234   4.485
   35   HG23  ILE   5          HG23      ILE   5  12.142   9.687   4.271
   36   HD11  ILE   5          HD11      ILE   5  11.257  12.554   7.462
   37   HD12  ILE   5          HD12      ILE   5   9.876  11.471   7.639
   38   HD13  ILE   5          HD13      ILE   5  10.405  11.970   6.032
   39    H    ILE   6           HN       ILE   6  15.749  11.554   5.881
   40    HA   ILE   6           HA       ILE   6  16.365  11.129   3.129
   41    HB   ILE   6           HB       ILE   6  17.830  12.605   5.324
   42   HG12  ILE   6          HG12      ILE   6  16.333  13.681   2.922
   43   HG13  ILE   6          HG11      ILE   6  15.542  13.399   4.471
   44   HG21  ILE   6          HG21      ILE   6  19.504  12.032   3.717
   45   HG22  ILE   6          HG22      ILE   6  19.010  13.677   3.316
   46   HG23  ILE   6          HG23      ILE   6  18.406  12.319   2.366
   47   HD11  ILE   6          HD11      ILE   6  17.079  14.930   5.583
   48   HD12  ILE   6          HD12      ILE   6  16.348  15.753   4.205
   49   HD13  ILE   6          HD13      ILE   6  17.998  15.138   4.092
   50    H    SER   7           HN       SER   7  17.600   9.870   6.157
   51    HA   SER   7           HA       SER   7  19.953   8.676   5.018
   52    HB2  SER   7           HB2      SER   7  19.439   9.268   7.516
   53    HB3  SER   7           HB1      SER   7  18.678   7.686   7.538
   54    HG   SER   7           HG       SER   7  20.578   6.780   7.423
   55    H    THR   8           HN       THR   8  16.655   7.682   5.638
   56    HA   THR   8           HA       THR   8  16.897   4.910   5.277
   57    HB   THR   8           HB       THR   8  14.542   6.628   4.523
   58    HG1  THR   8           HG1      THR   8  14.281   6.988   6.551
   59   HG21  THR   8          HG21      THR   8  14.832   3.744   5.385
   60   HG22  THR   8          HG22      THR   8  14.268   4.334   3.822
   61   HG23  THR   8          HG23      THR   8  13.286   4.583   5.265
   62    H    ILE   9           HN       ILE   9  16.087   7.443   2.922
   63    HA   ILE   9           HA       ILE   9  15.753   5.755   0.695
   64    HB   ILE   9           HB       ILE   9  16.390   7.882  -0.601
   65   HG12  ILE   9          HG12      ILE   9  16.466   8.972   2.209
   66   HG13  ILE   9          HG11      ILE   9  17.801   8.949   1.063
   67   HG21  ILE   9          HG21      ILE   9  14.053   7.181   0.072
   68   HG22  ILE   9          HG22      ILE   9  14.256   8.919  -0.104
   69   HG23  ILE   9          HG23      ILE   9  14.238   8.191   1.503
   70   HD11  ILE   9          HD11      ILE   9  16.989  11.127   0.865
   71   HD12  ILE   9          HD12      ILE   9  15.309  10.623   1.020
   72   HD13  ILE   9          HD13      ILE   9  16.192  10.301  -0.474
   73    H    GLY  10           HN       GLY  10  18.600   7.547   1.766
   74    HA2  GLY  10           HA2      GLY  10  20.348   6.594  -0.240
   75    HA3  GLY  10           HA1      GLY  10  20.854   7.246   1.322
   76    H    ASP  11           HN       ASP  11  19.482   5.330   2.962
   77    HA   ASP  11           HA       ASP  11  21.388   3.294   3.149
   78    HB2  ASP  11           HB2      ASP  11  19.642   3.987   4.892
   79    HB3  ASP  11           HB1      ASP  11  18.509   2.994   3.982
   80    H    LEU  12           HN       LEU  12  18.217   3.349   1.562
   81    HA   LEU  12           HA       LEU  12  18.267   0.685   0.606
   82    HB2  LEU  12           HB2      LEU  12  16.177   1.927   0.686
   83    HB3  LEU  12           HB1      LEU  12  16.800   3.131  -0.445
   84    HG   LEU  12           HG       LEU  12  16.971   1.411  -2.208
   85   HD11  LEU  12          HD11      LEU  12  16.193  -0.413   0.067
   86   HD12  LEU  12          HD12      LEU  12  17.476  -0.614  -1.126
   87   HD13  LEU  12          HD13      LEU  12  15.798  -0.859  -1.593
   88   HD21  LEU  12          HD21      LEU  12  14.780   2.624  -1.689
   89   HD22  LEU  12          HD22      LEU  12  14.258   1.130  -0.909
   90   HD23  LEU  12          HD23      LEU  12  14.649   1.138  -2.629
   91    H    VAL  13           HN       VAL  13  19.439   3.759  -0.782
   92    HA   VAL  13           HA       VAL  13  20.010   2.777  -3.352
   93    HB   VAL  13           HB       VAL  13  21.393   4.895  -1.712
   94   HG11  VAL  13          HG11      VAL  13  22.969   4.258  -3.387
   95   HG12  VAL  13          HG12      VAL  13  22.144   5.672  -4.045
   96   HG13  VAL  13          HG13      VAL  13  21.705   4.057  -4.601
   97   HG21  VAL  13          HG21      VAL  13  20.001   6.439  -2.880
   98   HG22  VAL  13          HG22      VAL  13  18.928   5.136  -2.373
   99   HG23  VAL  13          HG23      VAL  13  19.493   5.213  -4.042
  100    H    LYS  14           HN       LYS  14  22.005   2.899  -0.421
  101    HA   LYS  14           HA       LYS  14  24.235   1.587  -1.590
  102    HB2  LYS  14           HB2      LYS  14  23.415   2.262   1.225
  103    HB3  LYS  14           HB1      LYS  14  24.816   1.224   0.939
  104    HG2  LYS  14           HG2      LYS  14  25.717   3.415   1.064
  105    HG3  LYS  14           HG1      LYS  14  25.652   3.078  -0.659
  106    HD2  LYS  14           HD2      LYS  14  23.536   4.328  -0.836
  107    HD3  LYS  14           HD1      LYS  14  23.566   4.633   0.902
  108    HE2  LYS  14           HE2      LYS  14  25.775   5.494  -0.979
  109    HE3  LYS  14           HE1      LYS  14  24.434   6.541  -0.508
  110    HZ1  LYS  14           HZ1      LYS  14  25.084   6.062   1.845
  111    HZ2  LYS  14           HZ2      LYS  14  26.205   6.987   0.965
  112    HZ3  LYS  14           HZ3      LYS  14  26.496   5.337   1.248
  113    H    TRP  15           HN       TRP  15  21.533   0.394   0.394
  114    HA   TRP  15           HA       TRP  15  22.398  -2.192   0.797
  115    HB2  TRP  15           HB2      TRP  15  19.978  -0.680   0.996
  116    HB3  TRP  15           HB1      TRP  15  19.588  -2.220   0.322
  117    HD1  TRP  15           HD1      TRP  15  21.445  -0.665   3.265
  118    HE1  TRP  15           HE1      TRP  15  21.305  -2.283   5.293
  119    HE3  TRP  15           HE3      TRP  15  19.159  -4.589   1.041
  120    HZ2  TRP  15           HZ2      TRP  15  20.338  -4.928   5.854
  121    HZ3  TRP  15           HZ3      TRP  15  18.631  -6.672   2.316
  122    HH2  TRP  15           HH2      TRP  15  19.227  -6.837   4.722
  123    H    ILE  16           HN       ILE  16  20.893  -0.721  -2.037
  124    HA   ILE  16           HA       ILE  16  20.456  -3.126  -3.490
  125    HB   ILE  16           HB       ILE  16  20.859  -0.280  -4.377
  126   HG12  ILE  16          HG12      ILE  16  18.364  -1.983  -4.402
  127   HG13  ILE  16          HG11      ILE  16  18.815  -1.003  -3.010
  128   HG21  ILE  16          HG21      ILE  16  21.481  -1.553  -6.282
  129   HG22  ILE  16          HG22      ILE  16  19.775  -1.190  -6.534
  130   HG23  ILE  16          HG23      ILE  16  20.260  -2.785  -5.959
  131   HD11  ILE  16          HD11      ILE  16  18.888   1.003  -4.503
  132   HD12  ILE  16          HD12      ILE  16  17.287   0.273  -4.411
  133   HD13  ILE  16          HD13      ILE  16  18.300  -0.006  -5.826
  134    H    ILE  17           HN       ILE  17  23.158  -0.833  -3.391
  135    HA   ILE  17           HA       ILE  17  24.743  -2.141  -5.333
  136    HB   ILE  17           HB       ILE  17  25.523  -0.359  -3.025
  137   HG12  ILE  17          HG12      ILE  17  25.372   0.255  -5.988
  138   HG13  ILE  17          HG11      ILE  17  24.044   0.575  -4.869
  139   HG21  ILE  17          HG21      ILE  17  27.634  -0.046  -4.407
  140   HG22  ILE  17          HG22      ILE  17  27.126  -1.448  -5.347
  141   HG23  ILE  17          HG23      ILE  17  27.477  -1.621  -3.628
  142   HD11  ILE  17          HD11      ILE  17  25.639   1.940  -3.482
  143   HD12  ILE  17          HD12      ILE  17  25.335   2.608  -5.084
  144   HD13  ILE  17          HD13      ILE  17  26.837   1.744  -4.760
  145    H    ASP  18           HN       ASP  18  24.495  -2.388  -1.863
  146    HA   ASP  18           HA       ASP  18  26.570  -4.232  -1.418
  147    HB2  ASP  18           HB2      ASP  18  25.345  -2.877   0.317
  148    HB3  ASP  18           HB1      ASP  18  23.985  -3.981   0.131
  149    H    THR  19           HN       THR  19  23.218  -4.606  -2.415
  150    HA   THR  19           HA       THR  19  23.130  -7.448  -2.045
  151    HB   THR  19           HB       THR  19  21.373  -5.794  -3.841
  152    HG1  THR  19           HG1      THR  19  20.798  -4.892  -2.045
  153   HG21  THR  19          HG21      THR  19  21.183  -8.225  -4.128
  154   HG22  THR  19          HG22      THR  19  19.738  -7.586  -3.346
  155   HG23  THR  19          HG23      THR  19  20.962  -8.419  -2.390
  156    H    VAL  20           HN       VAL  20  23.583  -5.363  -4.890
  157    HA   VAL  20           HA       VAL  20  23.795  -7.441  -6.788
  158    HB   VAL  20           HB       VAL  20  24.969  -4.664  -6.760
  159   HG11  VAL  20          HG11      VAL  20  26.262  -5.925  -8.328
  160   HG12  VAL  20          HG12      VAL  20  25.061  -5.049  -9.276
  161   HG13  VAL  20          HG13      VAL  20  24.831  -6.762  -8.929
  162   HG21  VAL  20          HG21      VAL  20  22.427  -5.023  -6.712
  163   HG22  VAL  20          HG22      VAL  20  22.608  -5.714  -8.326
  164   HG23  VAL  20          HG23      VAL  20  23.056  -4.034  -8.031
  165    H    ASN  21           HN       ASN  21  26.191  -5.735  -4.833
  166    HA   ASN  21           HA       ASN  21  28.496  -6.989  -5.852
  167    HB2  ASN  21           HB2      ASN  21  28.558  -4.997  -4.412
  168    HB3  ASN  21           HB1      ASN  21  27.980  -5.968  -3.066
  169   HD21  ASN  21          HD21      ASN  21  30.708  -4.577  -3.845
  170   HD22  ASN  21          HD22      ASN  21  31.844  -5.780  -3.446
  171    H    LYS  22           HN       LYS  22  26.250  -7.867  -3.278
  172    HA   LYS  22           HA       LYS  22  27.642 -10.107  -2.295
  173    HB2  LYS  22           HB2      LYS  22  25.595  -8.861  -1.289
  174    HB3  LYS  22           HB1      LYS  22  24.645  -9.916  -2.328
  175    HG2  LYS  22           HG2      LYS  22  25.577 -11.898  -1.289
  176    HG3  LYS  22           HG1      LYS  22  26.708 -10.926  -0.354
  177    HD2  LYS  22           HD2      LYS  22  24.788 -11.610   1.029
  178    HD3  LYS  22           HD1      LYS  22  24.838  -9.860   0.833
  179    HE2  LYS  22           HE2      LYS  22  22.560 -11.077   0.513
  180    HE3  LYS  22           HE1      LYS  22  23.025  -9.849  -0.663
  181    HZ1  LYS  22           HZ1      LYS  22  22.216 -11.889  -1.713
  182    HZ2  LYS  22           HZ2      LYS  22  23.470 -12.770  -0.977
  183    HZ3  LYS  22           HZ3      LYS  22  23.829 -11.570  -2.125
  184    H    PHE  23           HN       PHE  23  25.437  -9.689  -4.998
  185    HA   PHE  23           HA       PHE  23  24.787 -12.355  -5.509
  186    HB2  PHE  23           HB2      PHE  23  23.794 -10.369  -6.672
  187    HB3  PHE  23           HB1      PHE  23  25.293 -10.238  -7.589
  188    HD1  PHE  23           HD2      PHE  23  22.641 -12.725  -6.697
  189    HD2  PHE  23           HD1      PHE  23  25.556 -11.459  -9.587
  190    HE1  PHE  23           HE2      PHE  23  21.844 -14.472  -8.265
  191    HE2  PHE  23           HE1      PHE  23  24.760 -13.206 -11.155
  192    HZ   PHE  23           HZ       PHE  23  22.904 -14.714 -10.496
  193    H    THR  24           HN       THR  24  27.574 -10.451  -6.630
  194    HA   THR  24           HA       THR  24  28.719 -12.663  -8.069
  195    HB   THR  24           HB       THR  24  29.940 -10.023  -7.216
  196    HG1  THR  24           HG1      THR  24  28.220  -9.749  -8.618
  197   HG21  THR  24          HG21      THR  24  31.328 -10.724  -9.407
  198   HG22  THR  24          HG22      THR  24  30.966 -12.342  -8.808
  199   HG23  THR  24          HG23      THR  24  31.847 -11.199  -7.791
  200    H    LYS  25           HN       LYS  25  28.144 -12.642  -5.063
  201    HA   LYS  25           HA       LYS  25  30.707 -13.858  -4.242
  202    HB2  LYS  25           HB2      LYS  25  28.945 -12.098  -2.521
  203    HB3  LYS  25           HB1      LYS  25  30.414 -12.916  -1.995
  204    HG2  LYS  25           HG2      LYS  25  30.332 -10.876  -4.240
  205    HG3  LYS  25           HG1      LYS  25  30.746 -10.484  -2.572
  206    HD2  LYS  25           HD2      LYS  25  32.544 -12.331  -2.771
  207    HD3  LYS  25           HD1      LYS  25  32.264 -12.239  -4.511
  208    HE2  LYS  25           HE2      LYS  25  32.803  -9.862  -4.514
  209    HE3  LYS  25           HE1      LYS  25  33.011  -9.884  -2.764
  210    HZ1  LYS  25           HZ1      LYS  25  35.132 -10.051  -3.894
  211    HZ2  LYS  25           HZ2      LYS  25  34.614 -11.441  -4.722
  212    HZ3  LYS  25           HZ3      LYS  25  34.810 -11.478  -3.035
  213    H    LYS  26           HN       LYS  26  30.069 -14.823  -1.818
  214    HA   LYS  26           HA       LYS  26  28.771 -17.199  -2.290
  215    HB2  LYS  26           HB2      LYS  26  28.331 -17.146   0.266
  216    HB3  LYS  26           HB1      LYS  26  30.003 -17.067  -0.298
  217    HG2  LYS  26           HG2      LYS  26  30.115 -14.709   0.044
  218    HG3  LYS  26           HG1      LYS  26  28.368 -14.582   0.247
  219    HD2  LYS  26           HD2      LYS  26  29.404 -14.460   2.434
  220    HD3  LYS  26           HD1      LYS  26  28.561 -16.002   2.303
  221    HE2  LYS  26           HE2      LYS  26  30.595 -17.197   1.950
  222    HE3  LYS  26           HE1      LYS  26  31.501 -15.712   1.655
  223    HZ1  LYS  26           HZ1      LYS  26  30.850 -15.091   4.008
  224    HZ2  LYS  26           HZ2      LYS  26  32.008 -16.322   3.837
  225    HZ3  LYS  26           HZ3      LYS  26  30.399 -16.714   4.210
  Start of MODEL   17
    1    H1   FME   1           HN       FME   1  11.287  13.469  11.842
    2    HCN  FME   1           HCN      FME   1  13.349  14.117  13.458
    3    HA   FME   1           HA       FME   1  13.661  11.846  11.761
    4    HB2  FME   1           HB2      FME   1  11.066  11.462  10.257
    5    HB3  FME   1           HB1      FME   1  12.287  10.236  10.599
    6    HG2  FME   1           HG2      FME   1  11.886  10.582  13.044
    7    HG3  FME   1           HG1      FME   1  10.582  11.697  12.638
    8    HE1  FME   1           HE1      FME   1   8.673   8.710  13.970
    9    HE2  FME   1           HE2      FME   1   9.623  10.139  14.370
   10    HE3  FME   1           HE3      FME   1  10.403   8.561  14.307
   11    H    ALA   2           HN       ALA   2  13.596  14.523  10.417
   12    HA   ALA   2           HA       ALA   2  13.551  14.259   7.624
   13    HB1  ALA   2           HB1      ALA   2  15.216  16.083   9.375
   14    HB2  ALA   2           HB2      ALA   2  13.643  16.450   8.664
   15    HB3  ALA   2           HB3      ALA   2  15.058  16.253   7.628
   16    H    GLN   3           HN       GLN   3  16.251  13.923   9.914
   17    HA   GLN   3           HA       GLN   3  18.212  13.278   7.985
   18    HB2  GLN   3           HB2      GLN   3  17.941  12.899  10.940
   19    HB3  GLN   3           HB1      GLN   3  19.298  12.185  10.093
   20    HG2  GLN   3           HG2      GLN   3  18.558  15.105   9.920
   21    HG3  GLN   3           HG1      GLN   3  19.759  14.474  11.040
   22   HE21  GLN   3          HE21      GLN   3  19.631  16.054   8.179
   23   HE22  GLN   3          HE22      GLN   3  20.992  15.396   7.408
   24    H    ASP   4           HN       ASP   4  16.392  11.211  10.209
   25    HA   ASP   4           HA       ASP   4  17.316   8.743   9.302
   26    HB2  ASP   4           HB2      ASP   4  16.046   9.002  11.366
   27    HB3  ASP   4           HB1      ASP   4  14.613   9.440  10.444
   28    H    ILE   5           HN       ILE   5  14.459  10.590   8.223
   29    HA   ILE   5           HA       ILE   5  13.565   8.672   6.351
   30    HB   ILE   5           HB       ILE   5  13.192  11.660   6.476
   31   HG12  ILE   5          HG12      ILE   5  11.190   9.445   6.955
   32   HG13  ILE   5          HG11      ILE   5  12.194  10.087   8.250
   33   HG21  ILE   5          HG21      ILE   5  12.873  11.117   4.173
   34   HG22  ILE   5          HG22      ILE   5  11.255  11.141   4.875
   35   HG23  ILE   5          HG23      ILE   5  12.062   9.602   4.570
   36   HD11  ILE   5          HD11      ILE   5  11.248  12.269   8.037
   37   HD12  ILE   5          HD12      ILE   5   9.881  11.159   7.970
   38   HD13  ILE   5          HD13      ILE   5  10.508  11.874   6.485
   39    H    ILE   6           HN       ILE   6  15.745  11.447   6.046
   40    HA   ILE   6           HA       ILE   6  16.217  11.113   3.256
   41    HB   ILE   6           HB       ILE   6  17.789  12.514   5.425
   42   HG12  ILE   6          HG12      ILE   6  15.406  13.290   4.632
   43   HG13  ILE   6          HG11      ILE   6  16.691  14.485   4.788
   44   HG21  ILE   6          HG21      ILE   6  18.824  13.702   3.374
   45   HG22  ILE   6          HG22      ILE   6  18.263  12.303   2.457
   46   HG23  ILE   6          HG23      ILE   6  19.411  12.089   3.779
   47   HD11  ILE   6          HD11      ILE   6  16.221  13.103   2.147
   48   HD12  ILE   6          HD12      ILE   6  16.975  14.660   2.463
   49   HD13  ILE   6          HD13      ILE   6  15.230  14.480   2.626
   50    H    SER   7           HN       SER   7  17.632   9.781   6.174
   51    HA   SER   7           HA       SER   7  19.935   8.650   4.891
   52    HB2  SER   7           HB2      SER   7  19.523   9.152   7.430
   53    HB3  SER   7           HB1      SER   7  18.795   7.552   7.430
   54    HG   SER   7           HG       SER   7  20.841   7.024   7.711
   55    H    THR   8           HN       THR   8  16.675   7.589   5.595
   56    HA   THR   8           HA       THR   8  16.930   4.833   5.160
   57    HB   THR   8           HB       THR   8  14.589   6.661   4.665
   58    HG1  THR   8           HG1      THR   8  15.466   6.576   6.804
   59   HG21  THR   8          HG21      THR   8  14.812   3.654   4.817
   60   HG22  THR   8          HG22      THR   8  14.133   4.624   3.509
   61   HG23  THR   8          HG23      THR   8  13.287   4.509   5.052
   62    H    ILE   9           HN       ILE   9  16.082   7.418   2.866
   63    HA   ILE   9           HA       ILE   9  15.668   5.745   0.632
   64    HB   ILE   9           HB       ILE   9  16.267   7.899  -0.656
   65   HG12  ILE   9          HG12      ILE   9  16.331   8.961   2.167
   66   HG13  ILE   9          HG11      ILE   9  17.673   8.951   1.028
   67   HG21  ILE   9          HG21      ILE   9  14.117   8.123   1.463
   68   HG22  ILE   9          HG22      ILE   9  13.945   7.155   0.000
   69   HG23  ILE   9          HG23      ILE   9  14.121   8.902  -0.117
   70   HD11  ILE   9          HD11      ILE   9  15.128  10.562   0.898
   71   HD12  ILE   9          HD12      ILE   9  16.149  10.319  -0.520
   72   HD13  ILE   9          HD13      ILE   9  16.792  11.148   0.899
   73    H    GLY  10           HN       GLY  10  18.528   7.559   1.627
   74    HA2  GLY  10           HA2      GLY  10  20.217   6.616  -0.430
   75    HA3  GLY  10           HA1      GLY  10  20.764   7.288   1.108
   76    H    ASP  11           HN       ASP  11  19.396   5.332   2.768
   77    HA   ASP  11           HA       ASP  11  21.374   3.344   2.932
   78    HB2  ASP  11           HB2      ASP  11  19.638   3.971   4.716
   79    HB3  ASP  11           HB1      ASP  11  18.517   2.957   3.815
   80    H    LEU  12           HN       LEU  12  18.172   3.351   1.428
   81    HA   LEU  12           HA       LEU  12  18.228   0.709   0.424
   82    HB2  LEU  12           HB2      LEU  12  16.142   1.954   0.545
   83    HB3  LEU  12           HB1      LEU  12  16.754   3.171  -0.577
   84    HG   LEU  12           HG       LEU  12  16.886   1.485  -2.367
   85   HD11  LEU  12          HD11      LEU  12  16.149  -0.386  -0.117
   86   HD12  LEU  12          HD12      LEU  12  17.413  -0.560  -1.337
   87   HD13  LEU  12          HD13      LEU  12  15.726  -0.791  -1.782
   88   HD21  LEU  12          HD21      LEU  12  14.237   1.480  -0.881
   89   HD22  LEU  12          HD22      LEU  12  14.446   0.965  -2.555
   90   HD23  LEU  12          HD23      LEU  12  14.751   2.643  -2.104
   91    H    VAL  13           HN       VAL  13  19.374   3.799  -0.943
   92    HA   VAL  13           HA       VAL  13  19.937   2.815  -3.517
   93    HB   VAL  13           HB       VAL  13  21.289   4.969  -1.899
   94   HG11  VAL  13          HG11      VAL  13  22.881   4.348  -3.556
   95   HG12  VAL  13          HG12      VAL  13  22.037   5.747  -4.223
   96   HG13  VAL  13          HG13      VAL  13  21.628   4.123  -4.778
   97   HG21  VAL  13          HG21      VAL  13  19.872   6.486  -3.067
   98   HG22  VAL  13          HG22      VAL  13  18.818   5.161  -2.576
   99   HG23  VAL  13          HG23      VAL  13  19.399   5.258  -4.239
  100    H    LYS  14           HN       LYS  14  21.978   3.021  -0.626
  101    HA   LYS  14           HA       LYS  14  24.225   1.731  -1.755
  102    HB2  LYS  14           HB2      LYS  14  23.417   1.986   1.152
  103    HB3  LYS  14           HB1      LYS  14  25.038   1.603   0.553
  104    HG2  LYS  14           HG2      LYS  14  23.504   4.169   0.056
  105    HG3  LYS  14           HG1      LYS  14  24.891   3.986   1.120
  106    HD2  LYS  14           HD2      LYS  14  26.108   3.125  -1.029
  107    HD3  LYS  14           HD1      LYS  14  24.776   3.908  -1.885
  108    HE2  LYS  14           HE2      LYS  14  26.459   5.572  -1.757
  109    HE3  LYS  14           HE1      LYS  14  25.313   5.992  -0.482
  110    HZ1  LYS  14           HZ1      LYS  14  26.865   5.689   1.052
  111    HZ2  LYS  14           HZ2      LYS  14  28.009   5.545  -0.198
  112    HZ3  LYS  14           HZ3      LYS  14  27.273   4.157   0.449
  113    H    TRP  15           HN       TRP  15  21.513   0.510   0.186
  114    HA   TRP  15           HA       TRP  15  22.409  -2.064   0.629
  115    HB2  TRP  15           HB2      TRP  15  19.967  -0.578   0.777
  116    HB3  TRP  15           HB1      TRP  15  19.603  -2.146   0.154
  117    HD1  TRP  15           HD1      TRP  15  21.418  -0.461   3.048
  118    HE1  TRP  15           HE1      TRP  15  21.283  -2.000   5.130
  119    HE3  TRP  15           HE3      TRP  15  19.200  -4.468   0.945
  120    HZ2  TRP  15           HZ2      TRP  15  20.340  -4.647   5.778
  121    HZ3  TRP  15           HZ3      TRP  15  18.686  -6.505   2.269
  122    HH2  TRP  15           HH2      TRP  15  19.256  -6.600   4.682
  123    H    ILE  16           HN       ILE  16  20.957  -0.636  -2.251
  124    HA   ILE  16           HA       ILE  16  20.517  -3.062  -3.667
  125    HB   ILE  16           HB       ILE  16  20.979  -0.241  -4.613
  126   HG12  ILE  16          HG12      ILE  16  18.462  -1.913  -4.662
  127   HG13  ILE  16          HG11      ILE  16  18.891  -0.898  -3.289
  128   HG21  ILE  16          HG21      ILE  16  21.638  -1.570  -6.473
  129   HG22  ILE  16          HG22      ILE  16  19.951  -1.158  -6.781
  130   HG23  ILE  16          HG23      ILE  16  20.369  -2.757  -6.169
  131   HD11  ILE  16          HD11      ILE  16  18.476   0.029  -6.147
  132   HD12  ILE  16          HD12      ILE  16  19.027   1.064  -4.831
  133   HD13  ILE  16          HD13      ILE  16  17.414   0.353  -4.779
  134    H    ILE  17           HN       ILE  17  23.253  -0.824  -3.545
  135    HA   ILE  17           HA       ILE  17  24.869  -2.198  -5.425
  136    HB   ILE  17           HB       ILE  17  25.801  -0.514  -3.104
  137   HG12  ILE  17          HG12      ILE  17  24.138   0.779  -4.296
  138   HG13  ILE  17          HG11      ILE  17  25.728   1.378  -4.769
  139   HG21  ILE  17          HG21      ILE  17  27.003  -1.103  -5.824
  140   HG22  ILE  17          HG22      ILE  17  27.571  -1.743  -4.282
  141   HG23  ILE  17          HG23      ILE  17  27.699  -0.016  -4.621
  142   HD11  ILE  17          HD11      ILE  17  24.596   1.177  -6.821
  143   HD12  ILE  17          HD12      ILE  17  23.814  -0.332  -6.351
  144   HD13  ILE  17          HD13      ILE  17  25.535  -0.313  -6.739
  145    H    ASP  18           HN       ASP  18  24.537  -2.321  -1.945
  146    HA   ASP  18           HA       ASP  18  26.592  -4.166  -1.400
  147    HB2  ASP  18           HB2      ASP  18  25.257  -2.727   0.241
  148    HB3  ASP  18           HB1      ASP  18  23.991  -3.949   0.120
  149    H    THR  19           HN       THR  19  23.262  -4.533  -2.458
  150    HA   THR  19           HA       THR  19  23.116  -7.351  -1.995
  151    HB   THR  19           HB       THR  19  21.460  -5.740  -3.923
  152    HG1  THR  19           HG1      THR  19  20.058  -5.553  -2.095
  153   HG21  THR  19          HG21      THR  19  21.002  -8.320  -2.408
  154   HG22  THR  19          HG22      THR  19  21.198  -8.148  -4.152
  155   HG23  THR  19          HG23      THR  19  19.770  -7.487  -3.356
  156    H    VAL  20           HN       VAL  20  23.709  -5.376  -4.890
  157    HA   VAL  20           HA       VAL  20  23.977  -7.537  -6.690
  158    HB   VAL  20           HB       VAL  20  25.149  -4.764  -6.762
  159   HG11  VAL  20          HG11      VAL  20  26.483  -6.089  -8.236
  160   HG12  VAL  20          HG12      VAL  20  25.294  -5.287  -9.263
  161   HG13  VAL  20          HG13      VAL  20  25.075  -6.980  -8.816
  162   HG21  VAL  20          HG21      VAL  20  22.729  -6.010  -8.094
  163   HG22  VAL  20          HG22      VAL  20  23.289  -4.357  -8.345
  164   HG23  VAL  20          HG23      VAL  20  22.692  -4.855  -6.762
  165    H    ASN  21           HN       ASN  21  26.312  -5.734  -4.741
  166    HA   ASN  21           HA       ASN  21  28.637  -7.040  -5.644
  167    HB2  ASN  21           HB2      ASN  21  28.699  -4.983  -4.323
  168    HB3  ASN  21           HB1      ASN  21  28.045  -5.852  -2.942
  169   HD21  ASN  21          HD21      ASN  21  30.828  -4.557  -3.661
  170   HD22  ASN  21          HD22      ASN  21  31.923  -5.754  -3.149
  171    H    LYS  22           HN       LYS  22  26.397  -7.763  -2.997
  172    HA   LYS  22           HA       LYS  22  27.822 -10.241  -2.356
  173    HB2  LYS  22           HB2      LYS  22  25.430  -8.899  -1.115
  174    HB3  LYS  22           HB1      LYS  22  26.094 -10.437  -0.564
  175    HG2  LYS  22           HG2      LYS  22  28.324  -9.263  -0.296
  176    HG3  LYS  22           HG1      LYS  22  27.476  -7.744  -0.590
  177    HD2  LYS  22           HD2      LYS  22  26.801  -9.725   1.608
  178    HD3  LYS  22           HD1      LYS  22  27.693  -8.220   1.835
  179    HE2  LYS  22           HE2      LYS  22  25.555  -7.483   2.356
  180    HE3  LYS  22           HE1      LYS  22  25.537  -7.188   0.617
  181    HZ1  LYS  22           HZ1      LYS  22  23.619  -8.390   0.947
  182    HZ2  LYS  22           HZ2      LYS  22  24.301  -9.382   2.146
  183    HZ3  LYS  22           HZ3      LYS  22  24.709  -9.615   0.512
  184    H    PHE  23           HN       PHE  23  26.550 -10.042  -4.961
  185    HA   PHE  23           HA       PHE  23  24.032 -11.275  -5.042
  186    HB2  PHE  23           HB2      PHE  23  25.000 -10.207  -7.000
  187    HB3  PHE  23           HB1      PHE  23  26.283 -11.417  -7.036
  188    HD1  PHE  23           HD2      PHE  23  22.545 -11.162  -7.000
  189    HD2  PHE  23           HD1      PHE  23  25.989 -13.357  -8.333
  190    HE1  PHE  23           HE2      PHE  23  21.076 -12.676  -8.305
  191    HE2  PHE  23           HE1      PHE  23  24.518 -14.871  -9.637
  192    HZ   PHE  23           HZ       PHE  23  22.062 -14.531  -9.622
  193    H    THR  24           HN       THR  24  27.287 -12.728  -5.163
  194    HA   THR  24           HA       THR  24  26.291 -15.135  -3.924
  195    HB   THR  24           HB       THR  24  27.613 -15.495  -6.610
  196    HG1  THR  24           HG1      THR  24  24.944 -15.887  -6.622
  197   HG21  THR  24          HG21      THR  24  26.495 -17.676  -6.479
  198   HG22  THR  24          HG22      THR  24  25.722 -17.197  -4.967
  199   HG23  THR  24          HG23      THR  24  27.470 -17.402  -5.036
  200    H    LYS  25           HN       LYS  25  28.209 -13.069  -3.319
  201    HA   LYS  25           HA       LYS  25  30.871 -13.898  -3.795
  202    HB2  LYS  25           HB2      LYS  25  29.693 -12.252  -1.546
  203    HB3  LYS  25           HB1      LYS  25  31.418 -12.416  -1.866
  204    HG2  LYS  25           HG2      LYS  25  29.444 -11.414  -3.935
  205    HG3  LYS  25           HG1      LYS  25  30.319 -10.337  -2.849
  206    HD2  LYS  25           HD2      LYS  25  32.460 -11.532  -3.737
  207    HD3  LYS  25           HD1      LYS  25  31.421 -12.101  -5.045
  208    HE2  LYS  25           HE2      LYS  25  31.738  -9.181  -4.291
  209    HE3  LYS  25           HE1      LYS  25  32.622  -9.973  -5.596
  210    HZ1  LYS  25           HZ1      LYS  25  29.673 -10.061  -5.448
  211    HZ2  LYS  25           HZ2      LYS  25  30.675 -10.354  -6.788
  212    HZ3  LYS  25           HZ3      LYS  25  30.482  -8.773  -6.196
  213    H    LYS  26           HN       LYS  26  28.612 -14.571  -1.149
  214    HA   LYS  26           HA       LYS  26  30.507 -16.107   0.357
  215    HB2  LYS  26           HB2      LYS  26  27.542 -15.620   0.525
  216    HB3  LYS  26           HB1      LYS  26  28.282 -16.886   1.508
  217    HG2  LYS  26           HG2      LYS  26  28.203 -14.831   2.804
  218    HG3  LYS  26           HG1      LYS  26  29.885 -15.177   2.403
  219    HD2  LYS  26           HD2      LYS  26  29.887 -13.546   0.639
  220    HD3  LYS  26           HD1      LYS  26  28.138 -13.344   0.744
  221    HE2  LYS  26           HE2      LYS  26  29.166 -11.475   1.880
  222    HE3  LYS  26           HE1      LYS  26  28.452 -12.525   3.103
  223    HZ1  LYS  26           HZ1      LYS  26  31.263 -12.030   2.489
  224    HZ2  LYS  26           HZ2      LYS  26  30.840 -13.598   2.987
  225    HZ3  LYS  26           HZ3      LYS  26  30.507 -12.266   3.989
  Start of MODEL   18
    1    H1   FME   1           HN       FME   1  13.087  12.795  13.695
    2    HCN  FME   1           HCN      FME   1  11.572  14.438  12.548
    3    HA   FME   1           HA       FME   1  13.808  11.058  12.381
    4    HB2  FME   1           HB2      FME   1  11.442  10.367  13.212
    5    HB3  FME   1           HB1      FME   1  10.936  10.682  11.554
    6    HG2  FME   1           HG2      FME   1  12.536   9.055  10.707
    7    HG3  FME   1           HG1      FME   1  13.198   8.812  12.322
    8    HE1  FME   1           HE1      FME   1  12.808   6.283  11.444
    9    HE2  FME   1           HE2      FME   1  11.624   5.489  12.481
   10    HE3  FME   1           HE3      FME   1  12.808   6.586  13.187
   11    H    ALA   2           HN       ALA   2  12.871  13.802  11.148
   12    HA   ALA   2           HA       ALA   2  12.359  13.315   8.412
   13    HB1  ALA   2           HB1      ALA   2  12.041  15.517   9.573
   14    HB2  ALA   2           HB2      ALA   2  12.940  15.641   8.060
   15    HB3  ALA   2           HB3      ALA   2  13.795  15.700   9.602
   16    H    GLN   3           HN       GLN   3  15.352  13.739  10.239
   17    HA   GLN   3           HA       GLN   3  17.122  13.730   8.037
   18    HB2  GLN   3           HB2      GLN   3  17.392  13.134  10.955
   19    HB3  GLN   3           HB1      GLN   3  18.748  12.888   9.881
   20    HG2  GLN   3           HG2      GLN   3  18.560  15.225   9.135
   21    HG3  GLN   3           HG1      GLN   3  17.208  15.457  10.227
   22   HE21  GLN   3          HE21      GLN   3  17.663  15.641  12.518
   23   HE22  GLN   3          HE22      GLN   3  19.248  15.805  13.101
   24    H    ASP   4           HN       ASP   4  16.125  11.147  10.234
   25    HA   ASP   4           HA       ASP   4  17.557   9.046   9.097
   26    HB2  ASP   4           HB2      ASP   4  16.452   8.785  11.219
   27    HB3  ASP   4           HB1      ASP   4  14.875   9.029  10.478
   28    H    ILE   5           HN       ILE   5  14.283  10.198   8.284
   29    HA   ILE   5           HA       ILE   5  13.744   8.228   6.333
   30    HB   ILE   5           HB       ILE   5  12.726  11.048   6.650
   31   HG12  ILE   5          HG12      ILE   5  12.099   9.481   8.446
   32   HG13  ILE   5          HG11      ILE   5  10.695   9.934   7.497
   33   HG21  ILE   5          HG21      ILE   5  11.952   8.902   4.669
   34   HG22  ILE   5          HG22      ILE   5  12.418  10.571   4.339
   35   HG23  ILE   5          HG23      ILE   5  10.865  10.222   5.098
   36   HD11  ILE   5          HD11      ILE   5  10.342   7.669   7.544
   37   HD12  ILE   5          HD12      ILE   5  12.050   7.303   7.762
   38   HD13  ILE   5          HD13      ILE   5  11.437   7.690   6.161
   39    H    ILE   6           HN       ILE   6  15.226  11.447   6.115
   40    HA   ILE   6           HA       ILE   6  15.608  11.375   3.286
   41    HB   ILE   6           HB       ILE   6  16.960  12.984   5.459
   42   HG12  ILE   6          HG12      ILE   6  14.910  13.836   3.397
   43   HG13  ILE   6          HG11      ILE   6  14.456  13.259   4.999
   44   HG21  ILE   6          HG21      ILE   6  17.556  14.477   3.462
   45   HG22  ILE   6          HG22      ILE   6  17.139  13.102   2.438
   46   HG23  ILE   6          HG23      ILE   6  18.464  12.970   3.594
   47   HD11  ILE   6          HD11      ILE   6  15.673  15.048   6.067
   48   HD12  ILE   6          HD12      ILE   6  14.657  15.771   4.817
   49   HD13  ILE   6          HD13      ILE   6  16.383  15.548   4.532
   50    H    SER   7           HN       SER   7  17.335  10.119   6.020
   51    HA   SER   7           HA       SER   7  19.787   9.599   4.536
   52    HB2  SER   7           HB2      SER   7  19.476  10.083   7.109
   53    HB3  SER   7           HB1      SER   7  19.176   8.353   7.181
   54    HG   SER   7           HG       SER   7  21.501   9.750   6.590
   55    H    THR   8           HN       THR   8  16.872   7.963   5.455
   56    HA   THR   8           HA       THR   8  17.621   5.281   5.166
   57    HB   THR   8           HB       THR   8  14.976   6.612   4.612
   58    HG1  THR   8           HG1      THR   8  15.511   5.091   6.868
   59   HG21  THR   8          HG21      THR   8  14.100   4.284   5.127
   60   HG22  THR   8          HG22      THR   8  15.757   3.712   4.938
   61   HG23  THR   8          HG23      THR   8  14.919   4.458   3.575
   62    H    ILE   9           HN       ILE   9  16.367   7.569   2.772
   63    HA   ILE   9           HA       ILE   9  16.080   5.865   0.593
   64    HB   ILE   9           HB       ILE   9  16.768   8.041  -0.726
   65   HG12  ILE   9          HG12      ILE   9  16.427   9.136   2.065
   66   HG13  ILE   9          HG11      ILE   9  17.957   9.059   1.209
   67   HG21  ILE   9          HG21      ILE   9  14.545   9.014  -0.243
   68   HG22  ILE   9          HG22      ILE   9  14.426   7.999   1.193
   69   HG23  ILE   9          HG23      ILE   9  14.454   7.262  -0.408
   70   HD11  ILE   9          HD11      ILE   9  16.922  10.443  -0.616
   71   HD12  ILE   9          HD12      ILE   9  17.074  11.281   0.927
   72   HD13  ILE   9          HD13      ILE   9  15.508  10.647   0.418
   73    H    GLY  10           HN       GLY  10  18.936   7.745   1.507
   74    HA2  GLY  10           HA2      GLY  10  20.612   6.728  -0.535
   75    HA3  GLY  10           HA1      GLY  10  21.178   7.476   0.960
   76    H    ASP  11           HN       ASP  11  19.890   5.594   2.737
   77    HA   ASP  11           HA       ASP  11  21.883   3.621   2.921
   78    HB2  ASP  11           HB2      ASP  11  20.283   4.367   4.752
   79    HB3  ASP  11           HB1      ASP  11  19.069   3.360   3.969
   80    H    LEU  12           HN       LEU  12  18.629   3.563   1.517
   81    HA   LEU  12           HA       LEU  12  18.655   0.845   0.719
   82    HB2  LEU  12           HB2      LEU  12  16.557   2.072   0.842
   83    HB3  LEU  12           HB1      LEU  12  17.101   3.202  -0.398
   84    HG   LEU  12           HG       LEU  12  17.197   1.372  -2.052
   85   HD11  LEU  12          HD11      LEU  12  17.782  -0.574  -0.867
   86   HD12  LEU  12          HD12      LEU  12  16.086  -0.861  -1.237
   87   HD13  LEU  12          HD13      LEU  12  16.559  -0.308   0.372
   88   HD21  LEU  12          HD21      LEU  12  14.602   1.462  -0.485
   89   HD22  LEU  12          HD22      LEU  12  14.770   0.822  -2.119
   90   HD23  LEU  12          HD23      LEU  12  15.066   2.532  -1.810
   91    H    VAL  13           HN       VAL  13  19.745   3.838  -0.881
   92    HA   VAL  13           HA       VAL  13  20.165   2.743  -3.431
   93    HB   VAL  13           HB       VAL  13  21.648   4.922  -1.962
   94   HG11  VAL  13          HG11      VAL  13  22.270   5.594  -4.367
   95   HG12  VAL  13          HG12      VAL  13  21.803   3.955  -4.824
   96   HG13  VAL  13          HG13      VAL  13  23.129   4.210  -3.690
   97   HG21  VAL  13          HG21      VAL  13  19.145   5.136  -2.510
   98   HG22  VAL  13          HG22      VAL  13  19.634   5.166  -4.204
   99   HG23  VAL  13          HG23      VAL  13  20.196   6.423  -3.101
  100    H    LYS  14           HN       LYS  14  22.336   2.978  -0.633
  101    HA   LYS  14           HA       LYS  14  24.485   1.591  -1.871
  102    HB2  LYS  14           HB2      LYS  14  23.834   2.467   0.928
  103    HB3  LYS  14           HB1      LYS  14  25.162   1.329   0.674
  104    HG2  LYS  14           HG2      LYS  14  26.110   3.546   0.637
  105    HG3  LYS  14           HG1      LYS  14  26.117   2.960  -1.022
  106    HD2  LYS  14           HD2      LYS  14  24.079   4.237  -1.511
  107    HD3  LYS  14           HD1      LYS  14  23.988   4.767   0.168
  108    HE2  LYS  14           HE2      LYS  14  26.157   5.913  -0.068
  109    HE3  LYS  14           HE1      LYS  14  26.257   5.380  -1.749
  110    HZ1  LYS  14           HZ1      LYS  14  24.975   7.640  -0.742
  111    HZ2  LYS  14           HZ2      LYS  14  23.762   6.598  -1.317
  112    HZ3  LYS  14           HZ3      LYS  14  25.019   7.095  -2.348
  113    H    TRP  15           HN       TRP  15  21.901   0.527   0.336
  114    HA   TRP  15           HA       TRP  15  22.762  -2.065   0.767
  115    HB2  TRP  15           HB2      TRP  15  20.393  -0.487   1.121
  116    HB3  TRP  15           HB1      TRP  15  19.928  -2.062   0.577
  117    HD1  TRP  15           HD1      TRP  15  22.110  -0.376   3.214
  118    HE1  TRP  15           HE1      TRP  15  22.149  -1.861   5.342
  119    HE3  TRP  15           HE3      TRP  15  19.511  -4.353   1.493
  120    HZ2  TRP  15           HZ2      TRP  15  21.184  -4.438   6.171
  121    HZ3  TRP  15           HZ3      TRP  15  19.073  -6.338   2.944
  122    HH2  TRP  15           HH2      TRP  15  19.914  -6.377   5.280
  123    H    ILE  16           HN       ILE  16  21.098  -0.640  -2.001
  124    HA   ILE  16           HA       ILE  16  20.440  -3.069  -3.319
  125    HB   ILE  16           HB       ILE  16  20.888  -0.259  -4.279
  126   HG12  ILE  16          HG12      ILE  16  18.388  -1.956  -4.271
  127   HG13  ILE  16          HG11      ILE  16  18.857  -0.942  -2.909
  128   HG21  ILE  16          HG21      ILE  16  19.781  -1.151  -6.438
  129   HG22  ILE  16          HG22      ILE  16  20.291  -2.746  -5.882
  130   HG23  ILE  16          HG23      ILE  16  21.495  -1.499  -6.205
  131   HD11  ILE  16          HD11      ILE  16  17.316   0.301  -4.322
  132   HD12  ILE  16          HD12      ILE  16  18.314  -0.014  -5.742
  133   HD13  ILE  16          HD13      ILE  16  18.919   1.022  -4.451
  134    H    ILE  17           HN       ILE  17  23.281  -0.945  -3.504
  135    HA   ILE  17           HA       ILE  17  24.642  -2.451  -5.477
  136    HB   ILE  17           HB       ILE  17  25.862  -0.737  -3.317
  137   HG12  ILE  17          HG12      ILE  17  24.958   0.064  -6.100
  138   HG13  ILE  17          HG11      ILE  17  24.053   0.415  -4.625
  139   HG21  ILE  17          HG21      ILE  17  27.657  -0.440  -5.002
  140   HG22  ILE  17          HG22      ILE  17  26.810  -1.547  -6.080
  141   HG23  ILE  17          HG23      ILE  17  27.465  -2.134  -4.551
  142   HD11  ILE  17          HD11      ILE  17  26.044   1.627  -3.737
  143   HD12  ILE  17          HD12      ILE  17  25.411   2.355  -5.212
  144   HD13  ILE  17          HD13      ILE  17  26.862   1.355  -5.276
  145    H    ASP  18           HN       ASP  18  24.609  -2.507  -1.988
  146    HA   ASP  18           HA       ASP  18  26.621  -4.412  -1.550
  147    HB2  ASP  18           HB2      ASP  18  25.435  -2.920   0.144
  148    HB3  ASP  18           HB1      ASP  18  24.111  -4.083   0.098
  149    H    THR  19           HN       THR  19  23.217  -4.715  -2.407
  150    HA   THR  19           HA       THR  19  23.068  -7.536  -1.932
  151    HB   THR  19           HB       THR  19  21.301  -5.742  -3.585
  152    HG1  THR  19           HG1      THR  19  20.385  -6.809  -1.248
  153   HG21  THR  19          HG21      THR  19  21.042  -8.619  -2.702
  154   HG22  THR  19          HG22      THR  19  20.960  -7.981  -4.345
  155   HG23  THR  19          HG23      THR  19  19.656  -7.650  -3.204
  156    H    VAL  20           HN       VAL  20  23.506  -5.549  -4.845
  157    HA   VAL  20           HA       VAL  20  23.592  -7.689  -6.686
  158    HB   VAL  20           HB       VAL  20  24.812  -4.939  -6.794
  159   HG11  VAL  20          HG11      VAL  20  24.763  -5.445  -9.319
  160   HG12  VAL  20          HG12      VAL  20  24.619  -7.140  -8.852
  161   HG13  VAL  20          HG13      VAL  20  26.041  -6.213  -8.376
  162   HG21  VAL  20          HG21      VAL  20  22.398  -4.875  -6.678
  163   HG22  VAL  20          HG22      VAL  20  22.262  -6.160  -7.878
  164   HG23  VAL  20          HG23      VAL  20  22.861  -4.571  -8.352
  165    H    ASN  21           HN       ASN  21  26.099  -5.993  -4.874
  166    HA   ASN  21           HA       ASN  21  28.336  -7.304  -5.963
  167    HB2  ASN  21           HB2      ASN  21  28.502  -5.293  -4.575
  168    HB3  ASN  21           HB1      ASN  21  27.948  -6.215  -3.183
  169   HD21  ASN  21          HD21      ASN  21  30.674  -4.902  -4.055
  170   HD22  ASN  21          HD22      ASN  21  31.797  -6.123  -3.677
  171    H    LYS  22           HN       LYS  22  26.215  -8.109  -3.259
  172    HA   LYS  22           HA       LYS  22  27.673 -10.584  -2.707
  173    HB2  LYS  22           HB2      LYS  22  25.259  -9.327  -1.418
  174    HB3  LYS  22           HB1      LYS  22  25.979 -10.851  -0.897
  175    HG2  LYS  22           HG2      LYS  22  28.176  -9.596  -0.645
  176    HG3  LYS  22           HG1      LYS  22  27.263  -8.107  -0.890
  177    HD2  LYS  22           HD2      LYS  22  26.629 -10.147   1.261
  178    HD3  LYS  22           HD1      LYS  22  27.596  -8.699   1.532
  179    HE2  LYS  22           HE2      LYS  22  25.594  -7.391   0.584
  180    HE3  LYS  22           HE1      LYS  22  24.675  -8.880   0.791
  181    HZ1  LYS  22           HZ1      LYS  22  25.294  -6.981   2.724
  182    HZ2  LYS  22           HZ2      LYS  22  26.169  -8.383   3.118
  183    HZ3  LYS  22           HZ3      LYS  22  24.480  -8.453   2.937
  184    H    PHE  23           HN       PHE  23  25.903  -9.941  -5.193
  185    HA   PHE  23           HA       PHE  23  23.634 -11.591  -5.131
  186    HB2  PHE  23           HB2      PHE  23  24.016  -9.994  -6.933
  187    HB3  PHE  23           HB1      PHE  23  25.420 -10.918  -7.463
  188    HD1  PHE  23           HD1      PHE  23  21.735 -11.147  -6.928
  189    HD2  PHE  23           HD2      PHE  23  25.179 -12.799  -8.893
  190    HE1  PHE  23           HE1      PHE  23  20.263 -12.626  -8.266
  191    HE2  PHE  23           HE2      PHE  23  23.707 -14.276 -10.232
  192    HZ   PHE  23           HZ       PHE  23  21.247 -14.191  -9.918
  193    H    THR  24           HN       THR  24  26.970 -12.309  -6.135
  194    HA   THR  24           HA       THR  24  26.349 -15.204  -5.906
  195    HB   THR  24           HB       THR  24  26.755 -14.738  -8.228
  196    HG1  THR  24           HG1      THR  24  27.837 -16.551  -7.370
  197   HG21  THR  24          HG21      THR  24  27.777 -12.578  -8.150
  198   HG22  THR  24          HG22      THR  24  28.964 -13.658  -8.882
  199   HG23  THR  24          HG23      THR  24  29.130 -13.181  -7.193
  200    H    LYS  25           HN       LYS  25  27.265 -13.384  -3.833
  201    HA   LYS  25           HA       LYS  25  29.622 -14.886  -3.012
  202    HB2  LYS  25           HB2      LYS  25  30.477 -12.846  -4.189
  203    HB3  LYS  25           HB1      LYS  25  29.630 -11.863  -3.002
  204    HG2  LYS  25           HG2      LYS  25  31.881 -12.025  -2.222
  205    HG3  LYS  25           HG1      LYS  25  30.948 -13.122  -1.210
  206    HD2  LYS  25           HD2      LYS  25  31.754 -15.039  -2.358
  207    HD3  LYS  25           HD1      LYS  25  32.357 -14.086  -3.707
  208    HE2  LYS  25           HE2      LYS  25  33.417 -13.872  -0.880
  209    HE3  LYS  25           HE1      LYS  25  34.148 -14.883  -2.125
  210    HZ1  LYS  25           HZ1      LYS  25  33.814 -12.445  -3.318
  211    HZ2  LYS  25           HZ2      LYS  25  35.273 -13.084  -2.728
  212    HZ3  LYS  25           HZ3      LYS  25  34.334 -12.062  -1.749
  213    H    LYS  26           HN       LYS  26  29.178 -15.600  -1.032
  214    HA   LYS  26           HA       LYS  26  27.137 -14.333   0.586
  215    HB2  LYS  26           HB2      LYS  26  28.875 -16.770   1.009
  216    HB3  LYS  26           HB1      LYS  26  27.651 -16.223   2.157
  217    HG2  LYS  26           HG2      LYS  26  25.918 -16.437   0.432
  218    HG3  LYS  26           HG1      LYS  26  27.136 -16.948  -0.740
  219    HD2  LYS  26           HD2      LYS  26  27.680 -18.895   0.680
  220    HD3  LYS  26           HD1      LYS  26  26.440 -18.395   1.832
  221    HE2  LYS  26           HE2      LYS  26  24.722 -18.603   0.084
  222    HE3  LYS  26           HE1      LYS  26  25.958 -19.089  -1.075
  223    HZ1  LYS  26           HZ1      LYS  26  25.790 -21.160  -0.355
  224    HZ2  LYS  26           HZ2      LYS  26  24.568 -20.697   0.731
  225    HZ3  LYS  26           HZ3      LYS  26  26.195 -20.680   1.221
  Start of MODEL   19
    1    H1   FME   1           HN       FME   1  12.298  13.656  13.005
    2    HCN  FME   1           HCN      FME   1  14.538  14.774  12.577
    3    HA   FME   1           HA       FME   1  13.585  11.337  12.016
    4    HB2  FME   1           HB2      FME   1  10.809  12.400  11.450
    5    HB3  FME   1           HB1      FME   1  11.364  10.768  11.085
    6    HG2  FME   1           HG2      FME   1  11.655  11.785  13.898
    7    HG3  FME   1           HG1      FME   1  10.066  11.267  13.345
    8    HE1  FME   1           HE1      FME   1   9.628   8.926  12.169
    9    HE2  FME   1           HE2      FME   1   9.290   9.079  13.893
   10    HE3  FME   1           HE3      FME   1  10.057   7.616  13.279
   11    H    ALA   2           HN       ALA   2  13.603  14.347  10.830
   12    HA   ALA   2           HA       ALA   2  13.176  13.969   8.050
   13    HB1  ALA   2           HB1      ALA   2  13.166  16.204   8.979
   14    HB2  ALA   2           HB2      ALA   2  14.482  16.088   7.811
   15    HB3  ALA   2           HB3      ALA   2  14.828  16.022   9.539
   16    H    GLN   3           HN       GLN   3  16.038  13.767  10.106
   17    HA   GLN   3           HA       GLN   3  17.924  13.366   8.040
   18    HB2  GLN   3           HB2      GLN   3  17.834  12.914  10.985
   19    HB3  GLN   3           HB1      GLN   3  19.162  12.212  10.080
   20    HG2  GLN   3           HG2      GLN   3  19.761  14.441  10.917
   21    HG3  GLN   3           HG1      GLN   3  19.679  14.444   9.161
   22   HE21  GLN   3          HE21      GLN   3  18.947  16.570   8.724
   23   HE22  GLN   3          HE22      GLN   3  17.512  17.217   9.358
   24    H    ASP   4           HN       ASP   4  16.371  11.056  10.246
   25    HA   ASP   4           HA       ASP   4  17.421   8.714   9.160
   26    HB2  ASP   4           HB2      ASP   4  16.241   8.766  11.292
   27    HB3  ASP   4           HB1      ASP   4  14.734   9.146  10.464
   28    H    ILE   5           HN       ILE   5  14.406  10.419   8.310
   29    HA   ILE   5           HA       ILE   5  13.531   8.548   6.387
   30    HB   ILE   5           HB       ILE   5  13.013  11.503   6.661
   31   HG12  ILE   5          HG12      ILE   5  11.160   9.163   7.144
   32   HG13  ILE   5          HG11      ILE   5  12.180   9.829   8.416
   33   HG21  ILE   5          HG21      ILE   5  12.608  11.054   4.361
   34   HG22  ILE   5          HG22      ILE   5  11.025  10.922   5.127
   35   HG23  ILE   5          HG23      ILE   5  11.930   9.465   4.712
   36   HD11  ILE   5          HD11      ILE   5  11.150  12.038   8.115
   37   HD12  ILE   5          HD12      ILE   5   9.903  10.832   8.433
   38   HD13  ILE   5          HD13      ILE   5  10.169  11.415   6.789
   39    H    ILE   6           HN       ILE   6  15.548  11.452   6.119
   40    HA   ILE   6           HA       ILE   6  15.916  11.231   3.293
   41    HB   ILE   6           HB       ILE   6  17.478  12.696   5.427
   42   HG12  ILE   6          HG12      ILE   6  14.996  13.301   4.810
   43   HG13  ILE   6          HG11      ILE   6  16.191  14.591   4.911
   44   HG21  ILE   6          HG21      ILE   6  17.773  12.623   2.424
   45   HG22  ILE   6          HG22      ILE   6  19.020  12.428   3.656
   46   HG23  ILE   6          HG23      ILE   6  18.305  14.014   3.365
   47   HD11  ILE   6          HD11      ILE   6  14.593  14.524   2.851
   48   HD12  ILE   6          HD12      ILE   6  15.645  13.237   2.269
   49   HD13  ILE   6          HD13      ILE   6  16.301  14.842   2.577
   50    H    SER   7           HN       SER   7  17.515   9.915   6.112
   51    HA   SER   7           HA       SER   7  19.842   8.992   4.687
   52    HB2  SER   7           HB2      SER   7  19.530   9.444   7.257
   53    HB3  SER   7           HB1      SER   7  18.952   7.784   7.272
   54    HG   SER   7           HG       SER   7  21.396   8.621   6.096
   55    H    THR   8           HN       THR   8  16.703   7.737   5.523
   56    HA   THR   8           HA       THR   8  17.072   4.995   5.129
   57    HB   THR   8           HB       THR   8  14.652   6.700   4.573
   58    HG1  THR   8           HG1      THR   8  15.791   6.455   6.757
   59   HG21  THR   8          HG21      THR   8  13.456   4.500   5.049
   60   HG22  THR   8          HG22      THR   8  15.022   3.715   4.839
   61   HG23  THR   8          HG23      THR   8  14.293   4.602   3.499
   62    H    ILE   9           HN       ILE   9  16.087   7.485   2.791
   63    HA   ILE   9           HA       ILE   9  15.745   5.775   0.580
   64    HB   ILE   9           HB       ILE   9  16.327   7.941  -0.733
   65   HG12  ILE   9          HG12      ILE   9  16.251   9.033   2.076
   66   HG13  ILE   9          HG11      ILE   9  17.650   9.037   1.008
   67   HG21  ILE   9          HG21      ILE   9  14.118   8.079   1.329
   68   HG22  ILE   9          HG22      ILE   9  14.022   7.130  -0.155
   69   HG23  ILE   9          HG23      ILE   9  14.141   8.885  -0.239
   70   HD11  ILE   9          HD11      ILE   9  16.721  11.206   0.824
   71   HD12  ILE   9          HD12      ILE   9  15.077  10.583   0.714
   72   HD13  ILE   9          HD13      ILE   9  16.197  10.357  -0.630
   73    H    GLY  10           HN       GLY  10  18.575   7.680   1.527
   74    HA2  GLY  10           HA2      GLY  10  20.274   6.721  -0.522
   75    HA3  GLY  10           HA1      GLY  10  20.818   7.450   0.991
   76    H    ASP  11           HN       ASP  11  19.504   5.503   2.709
   77    HA   ASP  11           HA       ASP  11  21.524   3.570   2.915
   78    HB2  ASP  11           HB2      ASP  11  19.797   4.220   4.688
   79    HB3  ASP  11           HB1      ASP  11  18.681   3.164   3.829
   80    H    LEU  12           HN       LEU  12  18.325   3.467   1.392
   81    HA   LEU  12           HA       LEU  12  18.437   0.787   0.494
   82    HB2  LEU  12           HB2      LEU  12  16.319   1.979   0.569
   83    HB3  LEU  12           HB1      LEU  12  16.897   3.172  -0.596
   84    HG   LEU  12           HG       LEU  12  17.094   1.409  -2.319
   85   HD11  LEU  12          HD11      LEU  12  16.368  -0.373   0.004
   86   HD12  LEU  12          HD12      LEU  12  17.649  -0.577  -1.190
   87   HD13  LEU  12          HD13      LEU  12  15.973  -0.866  -1.643
   88   HD21  LEU  12          HD21      LEU  12  14.435   1.429  -0.867
   89   HD22  LEU  12          HD22      LEU  12  14.674   0.824  -2.506
   90   HD23  LEU  12          HD23      LEU  12  14.945   2.529  -2.149
   91    H    VAL  13           HN       VAL  13  19.531   3.850  -0.977
   92    HA   VAL  13           HA       VAL  13  20.098   2.817  -3.525
   93    HB   VAL  13           HB       VAL  13  21.471   5.005  -1.967
   94   HG11  VAL  13          HG11      VAL  13  21.700   4.122  -4.849
   95   HG12  VAL  13          HG12      VAL  13  23.000   4.340  -3.678
   96   HG13  VAL  13          HG13      VAL  13  22.150   5.743  -4.324
   97   HG21  VAL  13          HG21      VAL  13  20.100   6.413  -3.610
   98   HG22  VAL  13          HG22      VAL  13  19.190   5.596  -2.341
   99   HG23  VAL  13          HG23      VAL  13  19.211   4.936  -3.977
  100    H    LYS  14           HN       LYS  14  22.121   3.051  -0.617
  101    HA   LYS  14           HA       LYS  14  24.369   1.756  -1.779
  102    HB2  LYS  14           HB2      LYS  14  23.558   2.572   0.992
  103    HB3  LYS  14           HB1      LYS  14  24.920   1.464   0.799
  104    HG2  LYS  14           HG2      LYS  14  25.766   3.750   0.844
  105    HG3  LYS  14           HG1      LYS  14  25.977   3.101  -0.779
  106    HD2  LYS  14           HD2      LYS  14  23.961   4.270  -1.542
  107    HD3  LYS  14           HD1      LYS  14  23.665   4.866   0.090
  108    HE2  LYS  14           HE2      LYS  14  25.795   6.100   0.037
  109    HE3  LYS  14           HE1      LYS  14  26.111   5.489  -1.588
  110    HZ1  LYS  14           HZ1      LYS  14  25.176   7.626  -1.837
  111    HZ2  LYS  14           HZ2      LYS  14  23.935   7.307  -0.723
  112    HZ3  LYS  14           HZ3      LYS  14  23.941   6.534  -2.237
  113    H    TRP  15           HN       TRP  15  21.714   0.568   0.271
  114    HA   TRP  15           HA       TRP  15  22.626  -2.000   0.720
  115    HB2  TRP  15           HB2      TRP  15  20.194  -0.495   0.949
  116    HB3  TRP  15           HB1      TRP  15  19.811  -2.085   0.371
  117    HD1  TRP  15           HD1      TRP  15  21.789  -0.352   3.144
  118    HE1  TRP  15           HE1      TRP  15  21.743  -1.855   5.259
  119    HE3  TRP  15           HE3      TRP  15  19.408  -4.385   1.241
  120    HZ2  TRP  15           HZ2      TRP  15  20.806  -4.465   6.008
  121    HZ3  TRP  15           HZ3      TRP  15  18.942  -6.393   2.647
  122    HH2  TRP  15           HH2      TRP  15  19.645  -6.432   5.030
  123    H    ILE  16           HN       ILE  16  21.096  -0.593  -2.122
  124    HA   ILE  16           HA       ILE  16  20.552  -3.015  -3.493
  125    HB   ILE  16           HB       ILE  16  21.070  -0.213  -4.446
  126   HG12  ILE  16          HG12      ILE  16  18.938  -0.975  -3.105
  127   HG13  ILE  16          HG11      ILE  16  18.748   0.038  -4.529
  128   HG21  ILE  16          HG21      ILE  16  21.700  -1.483  -6.327
  129   HG22  ILE  16          HG22      ILE  16  20.003  -1.116  -6.622
  130   HG23  ILE  16          HG23      ILE  16  20.465  -2.709  -6.024
  131   HD11  ILE  16          HD11      ILE  16  17.225  -2.059  -4.297
  132   HD12  ILE  16          HD12      ILE  16  18.657  -2.967  -4.776
  133   HD13  ILE  16          HD13      ILE  16  17.984  -1.748  -5.854
  134    H    ILE  17           HN       ILE  17  23.362  -0.861  -3.482
  135    HA   ILE  17           HA       ILE  17  24.863  -2.294  -5.406
  136    HB   ILE  17           HB       ILE  17  25.959  -0.680  -3.108
  137   HG12  ILE  17          HG12      ILE  17  24.297   0.689  -4.223
  138   HG13  ILE  17          HG11      ILE  17  25.888   1.236  -4.748
  139   HG21  ILE  17          HG21      ILE  17  27.026  -1.216  -5.893
  140   HG22  ILE  17          HG22      ILE  17  27.585  -2.023  -4.427
  141   HG23  ILE  17          HG23      ILE  17  27.838  -0.289  -4.633
  142   HD11  ILE  17          HD11      ILE  17  24.672   1.099  -6.759
  143   HD12  ILE  17          HD12      ILE  17  23.852  -0.380  -6.268
  144   HD13  ILE  17          HD13      ILE  17  25.552  -0.428  -6.728
  145    H    ASP  18           HN       ASP  18  24.623  -2.443  -1.919
  146    HA   ASP  18           HA       ASP  18  26.591  -4.397  -1.435
  147    HB2  ASP  18           HB2      ASP  18  25.400  -2.908   0.255
  148    HB3  ASP  18           HB1      ASP  18  24.036  -4.020   0.135
  149    H    THR  19           HN       THR  19  23.220  -4.589  -2.422
  150    HA   THR  19           HA       THR  19  22.939  -7.395  -1.967
  151    HB   THR  19           HB       THR  19  21.335  -5.708  -3.870
  152    HG1  THR  19           HG1      THR  19  20.044  -5.269  -2.099
  153   HG21  THR  19          HG21      THR  19  21.005  -8.137  -4.056
  154   HG22  THR  19          HG22      THR  19  19.581  -7.373  -3.349
  155   HG23  THR  19          HG23      THR  19  20.722  -8.237  -2.318
  156    H    VAL  20           HN       VAL  20  23.558  -5.462  -4.888
  157    HA   VAL  20           HA       VAL  20  23.721  -7.660  -6.662
  158    HB   VAL  20           HB       VAL  20  24.923  -4.905  -6.818
  159   HG11  VAL  20          HG11      VAL  20  24.781  -7.169  -8.811
  160   HG12  VAL  20          HG12      VAL  20  26.195  -6.231  -8.325
  161   HG13  VAL  20          HG13      VAL  20  24.945  -5.487  -9.322
  162   HG21  VAL  20          HG21      VAL  20  22.520  -6.057  -8.245
  163   HG22  VAL  20          HG22      VAL  20  23.007  -4.365  -8.154
  164   HG23  VAL  20          HG23      VAL  20  22.396  -5.185  -6.718
  165    H    ASN  21           HN       ASN  21  26.141  -5.874  -4.816
  166    HA   ASN  21           HA       ASN  21  28.427  -7.208  -5.777
  167    HB2  ASN  21           HB2      ASN  21  28.356  -5.089  -4.400
  168    HB3  ASN  21           HB1      ASN  21  28.075  -6.115  -3.000
  169   HD21  ASN  21          HD21      ASN  21  29.844  -7.346  -2.190
  170   HD22  ASN  21          HD22      ASN  21  31.420  -7.173  -2.800
  171    H    LYS  22           HN       LYS  22  26.229  -7.894  -3.098
  172    HA   LYS  22           HA       LYS  22  27.709 -10.217  -2.230
  173    HB2  LYS  22           HB2      LYS  22  25.052  -9.045  -1.462
  174    HB3  LYS  22           HB1      LYS  22  25.660 -10.550  -0.776
  175    HG2  LYS  22           HG2      LYS  22  27.619  -9.427   0.105
  176    HG3  LYS  22           HG1      LYS  22  27.188  -7.933  -0.724
  177    HD2  LYS  22           HD2      LYS  22  26.571  -7.848   1.672
  178    HD3  LYS  22           HD1      LYS  22  25.152  -7.737   0.635
  179    HE2  LYS  22           HE2      LYS  22  25.075  -9.356   2.672
  180    HE3  LYS  22           HE1      LYS  22  24.470  -9.933   1.122
  181    HZ1  LYS  22           HZ1      LYS  22  25.939 -11.547   2.153
  182    HZ2  LYS  22           HZ2      LYS  22  27.196 -10.405   2.206
  183    HZ3  LYS  22           HZ3      LYS  22  26.617 -10.966   0.711
  184    H    PHE  23           HN       PHE  23  25.282  -9.544  -4.565
  185    HA   PHE  23           HA       PHE  23  24.017 -12.088  -4.625
  186    HB2  PHE  23           HB2      PHE  23  22.958 -10.140  -5.628
  187    HB3  PHE  23           HB1      PHE  23  24.273 -10.015  -6.795
  188    HD1  PHE  23           HD2      PHE  23  21.791 -12.508  -5.503
  189    HD2  PHE  23           HD1      PHE  23  24.046 -11.089  -8.872
  190    HE1  PHE  23           HE2      PHE  23  20.649 -14.157  -6.961
  191    HE2  PHE  23           HE1      PHE  23  22.905 -12.737 -10.331
  192    HZ   PHE  23           HZ       PHE  23  21.207 -14.273  -9.375
  193    H    THR  24           HN       THR  24  26.854 -10.747  -6.208
  194    HA   THR  24           HA       THR  24  27.245 -13.074  -7.891
  195    HB   THR  24           HB       THR  24  27.939 -10.942  -8.775
  196    HG1  THR  24           HG1      THR  24  30.457 -11.800  -8.207
  197   HG21  THR  24          HG21      THR  24  28.303  -9.632  -6.824
  198   HG22  THR  24          HG22      THR  24  29.877  -9.748  -7.607
  199   HG23  THR  24          HG23      THR  24  29.515 -10.751  -6.203
  200    H    LYS  25           HN       LYS  25  27.187 -13.356  -4.955
  201    HA   LYS  25           HA       LYS  25  29.882 -14.500  -4.513
  202    HB2  LYS  25           HB2      LYS  25  27.867 -13.565  -2.461
  203    HB3  LYS  25           HB1      LYS  25  29.446 -14.259  -2.110
  204    HG2  LYS  25           HG2      LYS  25  28.989 -11.710  -3.693
  205    HG3  LYS  25           HG1      LYS  25  29.460 -11.773  -1.995
  206    HD2  LYS  25           HD2      LYS  25  31.440 -13.266  -2.865
  207    HD3  LYS  25           HD1      LYS  25  31.057 -12.549  -4.432
  208    HE2  LYS  25           HE2      LYS  25  32.673 -11.089  -3.556
  209    HE3  LYS  25           HE1      LYS  25  31.152 -10.277  -3.185
  210    HZ1  LYS  25           HZ1      LYS  25  33.085 -10.897  -1.391
  211    HZ2  LYS  25           HZ2      LYS  25  31.964 -12.153  -1.168
  212    HZ3  LYS  25           HZ3      LYS  25  31.473 -10.535  -1.008
  213    H    LYS  26           HN       LYS  26  30.057 -16.568  -3.692
  214    HA   LYS  26           HA       LYS  26  28.051 -18.417  -4.440
  215    HB2  LYS  26           HB2      LYS  26  30.504 -18.707  -2.693
  216    HB3  LYS  26           HB1      LYS  26  29.493 -20.062  -3.201
  217    HG2  LYS  26           HG2      LYS  26  29.923 -19.510  -5.558
  218    HG3  LYS  26           HG1      LYS  26  30.905 -18.129  -5.061
  219    HD2  LYS  26           HD2      LYS  26  32.440 -19.660  -3.867
  220    HD3  LYS  26           HD1      LYS  26  31.474 -21.035  -4.407
  221    HE2  LYS  26           HE2      LYS  26  31.929 -20.459  -6.747
  222    HE3  LYS  26           HE1      LYS  26  32.858 -19.053  -6.231
  223    HZ1  LYS  26           HZ1      LYS  26  33.831 -21.279  -4.858
  224    HZ2  LYS  26           HZ2      LYS  26  34.624 -20.346  -6.035
  225    HZ3  LYS  26           HZ3      LYS  26  33.720 -21.710  -6.495
  Start of MODEL   20
    1    H1   FME   1           HN       FME   1  11.585  13.081  12.721
    2    HCN  FME   1           HCN      FME   1  13.874  13.710  13.955
    3    HA   FME   1           HA       FME   1  13.856  11.437  12.176
    4    HB2  FME   1           HB2      FME   1  12.111  10.150  10.781
    5    HB3  FME   1           HB1      FME   1  11.844  10.262  12.521
    6    HG2  FME   1           HG2      FME   1  10.223  12.002  12.255
    7    HG3  FME   1           HG1      FME   1  10.657  12.241  10.564
    8    HE1  FME   1           HE1      FME   1  10.236   8.550  12.248
    9    HE2  FME   1           HE2      FME   1   8.497   8.713  12.483
   10    HE3  FME   1           HE3      FME   1   9.592   9.886  13.211
   11    H    ALA   2           HN       ALA   2  13.488  14.216  10.964
   12    HA   ALA   2           HA       ALA   2  13.213  14.025   8.180
   13    HB1  ALA   2           HB1      ALA   2  14.850  15.932   9.872
   14    HB2  ALA   2           HB2      ALA   2  13.224  16.192   9.239
   15    HB3  ALA   2           HB3      ALA   2  14.599  16.126   8.138
   16    H    GLN   3           HN       GLN   3  16.126  13.840  10.209
   17    HA   GLN   3           HA       GLN   3  17.959  13.427   8.108
   18    HB2  GLN   3           HB2      GLN   3  17.965  12.841  11.039
   19    HB3  GLN   3           HB1      GLN   3  19.300  12.322  10.039
   20    HG2  GLN   3           HG2      GLN   3  19.640  14.623   9.287
   21    HG3  GLN   3           HG1      GLN   3  18.267  15.146  10.245
   22   HE21  GLN   3          HE21      GLN   3  20.365  16.517  11.027
   23   HE22  GLN   3          HE22      GLN   3  21.123  15.885  12.406
   24    H    ASP   4           HN       ASP   4  16.424  11.118  10.301
   25    HA   ASP   4           HA       ASP   4  17.452   8.772   9.211
   26    HB2  ASP   4           HB2      ASP   4  16.258   8.823  11.332
   27    HB3  ASP   4           HB1      ASP   4  14.764   9.225  10.494
   28    H    ILE   5           HN       ILE   5  14.454  10.505   8.339
   29    HA   ILE   5           HA       ILE   5  13.586   8.645   6.401
   30    HB   ILE   5           HB       ILE   5  13.083  11.600   6.678
   31   HG12  ILE   5          HG12      ILE   5  11.205   9.277   7.140
   32   HG13  ILE   5          HG11      ILE   5  12.222   9.924   8.422
   33   HG21  ILE   5          HG21      ILE   5  11.974   9.575   4.731
   34   HG22  ILE   5          HG22      ILE   5  12.700  11.141   4.368
   35   HG23  ILE   5          HG23      ILE   5  11.109  11.059   5.129
   36   HD11  ILE   5          HD11      ILE   5   9.891  10.913   8.319
   37   HD12  ILE   5          HD12      ILE   5  10.345  11.634   6.776
   38   HD13  ILE   5          HD13      ILE   5  11.196  12.096   8.250
   39    H    ILE   6           HN       ILE   6  15.615  11.542   6.165
   40    HA   ILE   6           HA       ILE   6  16.001  11.355   3.341
   41    HB   ILE   6           HB       ILE   6  17.558  12.770   5.512
   42   HG12  ILE   6          HG12      ILE   6  15.734  13.875   3.358
   43   HG13  ILE   6          HG11      ILE   6  15.159  13.458   4.973
   44   HG21  ILE   6          HG21      ILE   6  19.108  12.462   3.712
   45   HG22  ILE   6          HG22      ILE   6  18.453  14.086   3.501
   46   HG23  ILE   6          HG23      ILE   6  17.863  12.761   2.499
   47   HD11  ILE   6          HD11      ILE   6  15.767  15.879   4.732
   48   HD12  ILE   6          HD12      ILE   6  17.431  15.387   4.417
   49   HD13  ILE   6          HD13      ILE   6  16.694  15.053   5.983
   50    H    SER   7           HN       SER   7  17.536   9.955   6.141
   51    HA   SER   7           HA       SER   7  19.866   9.008   4.735
   52    HB2  SER   7           HB2      SER   7  19.549   9.446   7.297
   53    HB3  SER   7           HB1      SER   7  18.908   7.808   7.302
   54    HG   SER   7           HG       SER   7  21.214   7.960   7.635
   55    H    THR   8           HN       THR   8  16.693   7.792   5.520
   56    HA   THR   8           HA       THR   8  17.032   5.050   5.105
   57    HB   THR   8           HB       THR   8  14.636   6.787   4.551
   58    HG1  THR   8           HG1      THR   8  14.162   5.608   6.678
   59   HG21  THR   8          HG21      THR   8  13.422   4.583   5.013
   60   HG22  THR   8          HG22      THR   8  14.980   3.797   4.753
   61   HG23  THR   8          HG23      THR   8  14.229   4.722   3.452
   62    H    ILE   9           HN       ILE   9  16.169   7.588   2.767
   63    HA   ILE   9           HA       ILE   9  15.783   5.903   0.543
   64    HB   ILE   9           HB       ILE   9  16.470   8.059  -0.741
   65   HG12  ILE   9          HG12      ILE   9  16.339   9.147   2.064
   66   HG13  ILE   9          HG11      ILE   9  17.790   9.063   1.074
   67   HG21  ILE   9          HG21      ILE   9  14.218   8.177   1.274
   68   HG22  ILE   9          HG22      ILE   9  14.137   7.345  -0.278
   69   HG23  ILE   9          HG23      ILE   9  14.309   9.097  -0.227
   70   HD11  ILE   9          HD11      ILE   9  16.516  10.454  -0.646
   71   HD12  ILE   9          HD12      ILE   9  16.996  11.286   0.832
   72   HD13  ILE   9          HD13      ILE   9  15.330  10.747   0.626
   73    H    GLY  10           HN       GLY  10  18.671   7.675   1.557
   74    HA2  GLY  10           HA2      GLY  10  20.355   6.692  -0.484
   75    HA3  GLY  10           HA1      GLY  10  20.907   7.371   1.053
   76    H    ASP  11           HN       ASP  11  19.480   5.443   2.702
   77    HA   ASP  11           HA       ASP  11  21.419   3.428   2.900
   78    HB2  ASP  11           HB2      ASP  11  19.692   4.108   4.662
   79    HB3  ASP  11           HB1      ASP  11  18.549   3.111   3.767
   80    H    LEU  12           HN       LEU  12  18.235   3.476   1.350
   81    HA   LEU  12           HA       LEU  12  18.276   0.823   0.365
   82    HB2  LEU  12           HB2      LEU  12  16.191   2.075   0.464
   83    HB3  LEU  12           HB1      LEU  12  16.812   3.283  -0.664
   84    HG   LEU  12           HG       LEU  12  16.960   1.574  -2.436
   85   HD11  LEU  12          HD11      LEU  12  17.479  -0.463  -1.383
   86   HD12  LEU  12          HD12      LEU  12  15.792  -0.699  -1.834
   87   HD13  LEU  12          HD13      LEU  12  16.207  -0.272  -0.175
   88   HD21  LEU  12          HD21      LEU  12  14.468   0.949  -2.508
   89   HD22  LEU  12          HD22      LEU  12  14.846   2.666  -2.377
   90   HD23  LEU  12          HD23      LEU  12  14.336   1.765  -0.951
   91    H    VAL  13           HN       VAL  13  19.468   3.895  -1.002
   92    HA   VAL  13           HA       VAL  13  20.024   2.916  -3.569
   93    HB   VAL  13           HB       VAL  13  21.436   5.023  -1.938
   94   HG11  VAL  13          HG11      VAL  13  22.996   4.363  -3.616
   95   HG12  VAL  13          HG12      VAL  13  22.194   5.798  -4.251
   96   HG13  VAL  13          HG13      VAL  13  21.725   4.200  -4.829
   97   HG21  VAL  13          HG21      VAL  13  19.461   5.279  -4.218
   98   HG22  VAL  13          HG22      VAL  13  20.084   6.578  -3.204
   99   HG23  VAL  13          HG23      VAL  13  19.006   5.363  -2.516
  100    H    LYS  14           HN       LYS  14  22.034   2.995  -0.646
  101    HA   LYS  14           HA       LYS  14  24.233   1.647  -1.849
  102    HB2  LYS  14           HB2      LYS  14  23.476   2.414   0.959
  103    HB3  LYS  14           HB1      LYS  14  24.811   1.289   0.705
  104    HG2  LYS  14           HG2      LYS  14  25.772   3.492   0.794
  105    HG3  LYS  14           HG1      LYS  14  25.824   2.993  -0.893
  106    HD2  LYS  14           HD2      LYS  14  23.795   4.299  -1.368
  107    HD3  LYS  14           HD1      LYS  14  23.675   4.750   0.332
  108    HE2  LYS  14           HE2      LYS  14  25.854   5.894   0.190
  109    HE3  LYS  14           HE1      LYS  14  25.981   5.437  -1.509
  110    HZ1  LYS  14           HZ1      LYS  14  24.677   7.654  -0.413
  111    HZ2  LYS  14           HZ2      LYS  14  23.491   6.651  -1.101
  112    HZ3  LYS  14           HZ3      LYS  14  24.789   7.205  -2.046
  113    H    TRP  15           HN       TRP  15  21.533   0.508   0.176
  114    HA   TRP  15           HA       TRP  15  22.354  -2.082   0.607
  115    HB2  TRP  15           HB2      TRP  15  19.969  -0.519   0.789
  116    HB3  TRP  15           HB1      TRP  15  19.543  -2.072   0.145
  117    HD1  TRP  15           HD1      TRP  15  21.428  -0.486   3.054
  118    HE1  TRP  15           HE1      TRP  15  21.258  -2.058   5.109
  119    HE3  TRP  15           HE3      TRP  15  19.087  -4.397   0.895
  120    HZ2  TRP  15           HZ2      TRP  15  20.243  -4.684   5.721
  121    HZ3  TRP  15           HZ3      TRP  15  18.523  -6.443   2.192
  122    HH2  TRP  15           HH2      TRP  15  19.102  -6.591   4.605
  123    H    ILE  16           HN       ILE  16  20.928  -0.631  -2.274
  124    HA   ILE  16           HA       ILE  16  20.408  -3.039  -3.675
  125    HB   ILE  16           HB       ILE  16  20.973  -0.246  -4.628
  126   HG12  ILE  16          HG12      ILE  16  18.394  -1.815  -4.671
  127   HG13  ILE  16          HG11      ILE  16  18.864  -0.829  -3.290
  128   HG21  ILE  16          HG21      ILE  16  20.269  -2.742  -6.168
  129   HG22  ILE  16          HG22      ILE  16  21.577  -1.601  -6.483
  130   HG23  ILE  16          HG23      ILE  16  19.904  -1.133  -6.789
  131   HD11  ILE  16          HD11      ILE  16  19.091   1.130  -4.848
  132   HD12  ILE  16          HD12      ILE  16  17.445   0.511  -4.729
  133   HD13  ILE  16          HD13      ILE  16  18.435   0.119  -6.135
  134    H    ILE  17           HN       ILE  17  23.214  -0.897  -3.576
  135    HA   ILE  17           HA       ILE  17  24.782  -2.333  -5.447
  136    HB   ILE  17           HB       ILE  17  25.787  -0.669  -3.145
  137   HG12  ILE  17          HG12      ILE  17  24.156   0.662  -4.341
  138   HG13  ILE  17          HG11      ILE  17  25.762   1.215  -4.815
  139   HG21  ILE  17          HG21      ILE  17  27.705  -0.270  -4.637
  140   HG22  ILE  17          HG22      ILE  17  26.957  -1.281  -5.872
  141   HG23  ILE  17          HG23      ILE  17  27.492  -1.996  -4.351
  142   HD11  ILE  17          HD11      ILE  17  24.633   1.040  -6.870
  143   HD12  ILE  17          HD12      ILE  17  23.792  -0.433  -6.388
  144   HD13  ILE  17          HD13      ILE  17  25.508  -0.487  -6.780
  145    H    ASP  18           HN       ASP  18  24.442  -2.441  -1.967
  146    HA   ASP  18           HA       ASP  18  26.438  -4.331  -1.393
  147    HB2  ASP  18           HB2      ASP  18  25.117  -2.882   0.238
  148    HB3  ASP  18           HB1      ASP  18  23.802  -4.042   0.058
  149    H    THR  19           HN       THR  19  23.100  -4.650  -2.481
  150    HA   THR  19           HA       THR  19  22.885  -7.450  -2.028
  151    HB   THR  19           HB       THR  19  21.374  -5.694  -3.950
  152    HG1  THR  19           HG1      THR  19  21.358  -5.969  -1.287
  153   HG21  THR  19          HG21      THR  19  21.079  -7.951  -4.661
  154   HG22  THR  19          HG22      THR  19  19.660  -7.568  -3.685
  155   HG23  THR  19          HG23      THR  19  20.970  -8.529  -2.998
  156    H    VAL  20           HN       VAL  20  23.646  -5.550  -4.927
  157    HA   VAL  20           HA       VAL  20  24.006  -7.765  -6.647
  158    HB   VAL  20           HB       VAL  20  25.142  -4.981  -6.774
  159   HG11  VAL  20          HG11      VAL  20  26.529  -6.354  -8.158
  160   HG12  VAL  20          HG12      VAL  20  25.370  -5.583  -9.243
  161   HG13  VAL  20          HG13      VAL  20  25.140  -7.262  -8.757
  162   HG21  VAL  20          HG21      VAL  20  22.735  -6.318  -8.030
  163   HG22  VAL  20          HG22      VAL  20  23.329  -4.724  -8.497
  164   HG23  VAL  20          HG23      VAL  20  22.722  -4.995  -6.864
  165    H    ASN  21           HN       ASN  21  26.225  -5.889  -4.632
  166    HA   ASN  21           HA       ASN  21  28.630  -7.087  -5.424
  167    HB2  ASN  21           HB2      ASN  21  28.304  -5.070  -3.913
  168    HB3  ASN  21           HB1      ASN  21  27.991  -6.220  -2.622
  169   HD21  ASN  21          HD21      ASN  21  29.778  -7.329  -1.720
  170   HD22  ASN  21          HD22      ASN  21  31.377  -7.030  -2.205
  171    H    LYS  22           HN       LYS  22  26.366  -7.987  -2.833
  172    HA   LYS  22           HA       LYS  22  27.812 -10.276  -1.982
  173    HB2  LYS  22           HB2      LYS  22  24.960  -9.419  -1.623
  174    HB3  LYS  22           HB1      LYS  22  25.577 -10.926  -0.947
  175    HG2  LYS  22           HG2      LYS  22  27.372  -9.607   0.206
  176    HG3  LYS  22           HG1      LYS  22  26.606  -8.129  -0.368
  177    HD2  LYS  22           HD2      LYS  22  25.149 -10.211   1.278
  178    HD3  LYS  22           HD1      LYS  22  25.977  -8.831   1.993
  179    HE2  LYS  22           HE2      LYS  22  24.557  -7.364   0.437
  180    HE3  LYS  22           HE1      LYS  22  23.593  -8.809   0.134
  181    HZ1  LYS  22           HZ1      LYS  22  23.797  -7.190   2.534
  182    HZ2  LYS  22           HZ2      LYS  22  23.721  -8.870   2.776
  183    HZ3  LYS  22           HZ3      LYS  22  22.482  -8.076   1.926
  184    H    PHE  23           HN       PHE  23  25.200  -9.792  -4.310
  185    HA   PHE  23           HA       PHE  23  24.464 -12.396  -4.830
  186    HB2  PHE  23           HB2      PHE  23  23.372 -10.456  -5.861
  187    HB3  PHE  23           HB1      PHE  23  24.805 -10.190  -6.850
  188    HD1  PHE  23           HD1      PHE  23  22.107 -12.641  -6.100
  189    HD2  PHE  23           HD2      PHE  23  25.201 -11.451  -8.831
  190    HE1  PHE  23           HE1      PHE  23  21.294 -14.307  -7.747
  191    HE2  PHE  23           HE2      PHE  23  24.387 -13.115 -10.478
  192    HZ   PHE  23           HZ       PHE  23  22.434 -14.544  -9.935
  193    H    THR  24           HN       THR  24  27.442 -10.813  -5.556
  194    HA   THR  24           HA       THR  24  28.351 -13.134  -7.169
  195    HB   THR  24           HB       THR  24  30.084 -11.596  -8.051
  196    HG1  THR  24           HG1      THR  24  30.108  -9.519  -7.442
  197   HG21  THR  24          HG21      THR  24  27.827 -11.903  -9.151
  198   HG22  THR  24          HG22      THR  24  28.629 -10.378  -9.531
  199   HG23  THR  24          HG23      THR  24  27.315 -10.415  -8.355
  200    H    LYS  25           HN       LYS  25  28.218 -12.983  -4.262
  201    HA   LYS  25           HA       LYS  25  30.721 -12.407  -3.110
  202    HB2  LYS  25           HB2      LYS  25  28.623 -12.745  -1.826
  203    HB3  LYS  25           HB1      LYS  25  28.679 -14.457  -2.218
  204    HG2  LYS  25           HG2      LYS  25  29.600 -14.231  -0.018
  205    HG3  LYS  25           HG1      LYS  25  30.966 -14.518  -1.092
  206    HD2  LYS  25           HD2      LYS  25  31.612 -12.229  -1.050
  207    HD3  LYS  25           HD1      LYS  25  30.079 -11.721  -0.351
  208    HE2  LYS  25           HE2      LYS  25  32.081 -13.523   1.035
  209    HE3  LYS  25           HE1      LYS  25  31.961 -11.785   1.303
  210    HZ1  LYS  25           HZ1      LYS  25  30.714 -12.925   2.975
  211    HZ2  LYS  25           HZ2      LYS  25  29.852 -13.812   1.809
  212    HZ3  LYS  25           HZ3      LYS  25  29.622 -12.134   1.947
  213    H    LYS  26           HN       LYS  26  29.360 -15.464  -4.336
  214    HA   LYS  26           HA       LYS  26  31.885 -16.854  -3.954
  215    HB2  LYS  26           HB2      LYS  26  29.212 -17.721  -5.068
  216    HB3  LYS  26           HB1      LYS  26  30.614 -18.786  -4.919
  217    HG2  LYS  26           HG2      LYS  26  30.675 -18.373  -2.495
  218    HG3  LYS  26           HG1      LYS  26  29.289 -17.289  -2.640
  219    HD2  LYS  26           HD2      LYS  26  27.930 -19.150  -3.524
  220    HD3  LYS  26           HD1      LYS  26  29.309 -20.237  -3.352
  221    HE2  LYS  26           HE2      LYS  26  29.354 -19.794  -0.927
  222    HE3  LYS  26           HE1      LYS  26  27.973 -18.713  -1.103
  223    HZ1  LYS  26           HZ1      LYS  26  26.673 -20.475  -0.882
  224    HZ2  LYS  26           HZ2      LYS  26  28.004 -21.533  -0.885
  225    HZ3  LYS  26           HZ3      LYS  26  27.274 -21.076  -2.351