*HEADER    CYTOKINE                                14-JUN-17   5W54              
*TITLE     CYTOKINE-LIKE STRESS RESPONSE PEPTIDE-2 IN MANDUCA SEXTA              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STRESS RESPONSE PEPTIDE-2;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MANDUCA SEXTA;                                  
*SOURCE   4 ORGANISM_TAXID: 7130                                                 
*KEYWDS    ANTI-PARALLEL BETA-STRANDS, DISULFIDE DISORDERED, CYTOKINE            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.G.SCHRAG,A.I.HERRERA,O.PRAKASH                                      
*REVDAT   1   12-JUL-17 5W54    0                                                
# Restraints file 1: srp2_NOE_Constraint_WG1B9Op.tbl
! Intra-Residue NOE Constraints 106


assign (residue 2 and name HN) (residue 2 and name HA#) 5.0 2.8 1.0 

assign (residue 3 and name HN) (residue 3 and name HA) 4.0 2.2 1.0 
assign (residue 3 and name HN) (residue 3 and name HG##) 4.2 2.0 0.3

assign (residue 4 and name HN) (residue 4 and name HA) 4.0 2.2 1.0
assign (residue 4 and name HN) (residue 4 and name HB1) 3.2 1.0 0.3
assign (residue 4 and name HN) (residue 4 and name HB2) 5.0 2.8 1.0 

assign (residue 5 and name HN) (residue 5 and name HA) 4.0 2.2 1.0 
assign (residue 5 and name HN) (residue 5 and name HB1) 3.2 1.0 0.3
assign (residue 5 and name HN) (residue 5 and name HB1) 5.0 2.8 1.0 

assign (residue 6 and name HN) (residue 6 and name HA1) 4.2 2.0 0.3 
assign (residue 6 and name HN) (residue 6 and name HA2) 3.2 1.0 0.3

assign (residue 7 and name HN) (residue 7 and name HA) 4.0 2.2 1.0 
assign (residue 7 and name HN) (residue 7 and name HB1) 3.2 1.0 0.3
assign (residue 7 and name HN) (residue 7 and name HB2) 4.2 2.0 0.3
assign (residue 7 and name HN) (residue 7 and name HD#) 5.0 2.8 1.0 
assign (residue 7 and name HN) (residue 7 and name HG#) 4.2 2.0 0.3

assign (residue 8 and name HN) (residue 8 and name HA) 4.0 2.2 1.0 
assign (residue 8 and name HN) (residue 8 and name HB1) 3.2 1.0 0.3
assign (residue 8 and name HN) (residue 8 and name HB2) 5.0 2.8 1.0 

assign (residue 9 and name HA) (residue 9 and name HB1) 3.2 1.0 0.3
assign (residue 9 and name HA) (residue 9 and name HB2) 3.2 1.0 0.5
assign (residue 9 and name HA) (residue 9 and name HG1) 4.2 2.0 0.3
assign (residue 9 and name HB1) (residue 9 and name HG1) 3.2 1.0 0.3 
assign (residue 9 and name HB1) (residue 9 and name HG2) 3.2 1.0 0.5
assign (residue 9 and name HB2) (residue 9 and name HG1) 3.2 1.0 0.5
assign (residue 9 and name HB2) (residue 9 and name HG2) 3.2 1.0 0.3
assign (residue 9 and name HG1) (residue 9 and name HD1) 3.2 1.0 0.3
assign (residue 9 and name HG1) (residue 9 and name HD2) 3.2 1.0 0.5
assign (residue 9 and name HG2) (residue 9 and name HD1) 3.2 1.0 0.3 
assign (residue 9 and name HG2) (residue 9 and name HD2) 3.2 1.0 0.5
assign (residue 9 and name HB1) (residue 9 and name HD1) 5.0 2.8 1.0  
assign (residue 9 and name HB1) (residue 9 and name HD2) 5.0 2.8 1.0 
assign (residue 9 and name HB2) (residue 9 and name HD1) 5.0 2.8 1.0 
assign (residue 9 and name HB2) (residue 9 and name HD2) 5.0 2.8 1.0 

assign (residue 11 and name HN) (residue 11 and name HA1) 3.2 1.0 0.3
assign (residue 11 and name HN) (residue 11 and name HA2) 5.0 2.8 1.0  

assign (residue 12 and name HN) (residue 12 and name HA) 5.0 2.8 1.0 
assign (residue 12 and name HN) (residue 12 and name HB#) 3.2 1.0 0.3
assign (residue 12 and name HN) (residue 12 and name HD1) 5.0 2.8 1.0
assign (residue 12 and name HN) (residue 12 and name HG1) 4.2 2.0 0.3
assign (residue 12 and name HN) (residue 12 and name HG2) 5.0 2.8 1.0 
assign (residue 12 and name HE) (residue 12 and name HB#) 5.0 2.8 1.0 
assign (residue 12 and name HE) (residue 12 and name HD1) 3.2 1.0 0.3
assign (residue 12 and name HE) (residue 12 and name HD2) 3.2 1.0 0.3
assign (residue 12 and name HE) (residue 12 and name HG1) 4.2 2.0 0.3

assign (residue 13 and name HN) (residue 13 and name HA) 4.0 2.2 1.0 
assign (residue 13 and name HN) (residue 13 and name HB) 4.0 2.2 1.0 

assign (residue 14 and name HN) (residue 14 and name HB#) 3.2 1.0 0.3
assign (residue 14 and name HN) (residue 14 and name HD#) 5.0 2.8 1.0
assign (residue 14 and name HN) (residue 14 and name HE) 5.0 2.8 1.0 
assign (residue 14 and name HN) (residue 14 and name HG1) 5.0 2.8 1.0 
assign (residue 14 and name HN) (residue 14 and name HG2) 5.0 2.8 1.0 
assign (residue 14 and name HE) (residue 14 and name HB#) 3.2 1.0 0.3
assign (residue 14 and name HE) (residue 14 and name HD#) 3.2 1.0 0.3
assign (residue 14 and name HE) (residue 14 and name HG1) 5.0 2.8 1.0 
assign (residue 14 and name HE) (residue 14 and name HG2) 5.0 2.8 1.0

assign (residue 15 and name HE) (residue 15 and name HB1) 5.0 2.8 1.0 
assign (residue 15 and name HE) (residue 15 and name HD1) 4.2 2.0 0.3
assign (residue 15 and name HE) (residue 15 and name HD2) 5.0 2.8 1.0 
assign (residue 15 and name HE) (residue 15 and name HG2) 5.0 2.8 1.0

assign (residue 16 and name HN) (residue 16 and name HA) 3.2 1.0 0.3
assign (residue 16 and name HN) (residue 16 and name HB1) 4.2 2.0 0.3
assign (residue 16 and name HN) (residue 16 and name HB2) 5.0 2.8 1.0 
assign (residue 16 and name HN) (residue 16 and name HD1#) 3.2 1.0 0.3
assign (residue 16 and name HN) (residue 16 and name HD2 5.0 2.8 1.0 
assign (residue 16 and name HN) (residue 16 and name HG) 5.0 2.8 1.0 

assign (residue 17 and name HN) (residue 17 and name HA1) 3.2 1.0 0.3
assign (residue 17 and name HN) (residue 17 and name HA2) 5.0 2.8 1.0 

assign (residue 18 and name HN) (residue 18 and name HB) 4.2 2.0 0.3
assign (residue 18 and name HN) (residue 18 and name HD1#) 5.0 2.8 1.0 
assign (residue 18 and name HN) (residue 18 and name HG1#) 5.0 2.8 1.0 
assign (residue 18 and name HN) (residue 18 and name HG2#) 4.2 2.0 0.3
assign (residue 18 and name HB) (residue 18 and name HG2#) 5.0 2.8 1.0 

assign (residue 19 and name HN) (residue 19 and name HA) 5.0 2.8 1.0 
assign (residue 19 and name HN) (residue 19 and name HB1) 4.2 2.0 0.3
assign (residue 19 and name HN) (residue 19 and name HB2) 5.0 2.8 1.0 

assign (residue 20 and name HN) (residue 20 and name HA) 3.2 1.0 0.3
assign (residue 20 and name HN) (residue 20 and name HB) 5.0 2.8 1.0 
assign (residue 20 and name HN) (residue 20 and name HG1#) 4.2 2.0 0.3
assign (residue 20 and name HN) (residue 20 and name HG2#) 5.0 2.8 1.0
assign (residue 20 and name HB) (residue 20 and name HA) 3.2 1.0 0.3
assign (residue 20 and name HB) (residue 20 and name HG1#) 3.2 1.0 0.3
assign (residue 20 and name HB) (residue 20 and name HG2#) 3.2 1.0 0.3

assign (residue 21 and name HA) (residue 21 and name HB1) 3.2 1.0 0.3
assign (residue 21 and name HA) (residue 21 and name HB2) 3.2 1.0 0.5
assign (residue 21 and name HA) (residue 21 and name HG1) 4.2 3.0 0.3
assign (residue 21 and name HB1) (residue 21 and name HG1) 3.2 1.0 0.3 
assign (residue 21 and name HB1) (residue 21 and name HG2) 3.2 1.0 0.5
assign (residue 21 and name HB2) (residue 21 and name HG1) 3.2 1.0 0.5
assign (residue 21 and name HB2) (residue 21 and name HG2) 3.2 1.0 0.3
assign (residue 21 and name HG1) (residue 21 and name HD1) 3.2 1.0 0.3
assign (residue 21 and name HG1) (residue 21 and name HD2) 3.2 1.0 0.5
assign (residue 21 and name HG2) (residue 21 and name HD1) 3.2 1.0 0.5 
assign (residue 21 and name HG2) (residue 21 and name HD2) 3.2 1.0 0.3
assign (residue 21 and name HB1) (residue 21 and name HD1) 5.0 2.8 1.0  
assign (residue 21 and name HB1) (residue 21 and name HD2) 5.0 2.8 1.0 
assign (residue 21 and name HB2) (residue 21 and name HD1) 5.0 2.8 1.0 
assign (residue 21 and name HB2) (residue 21 and name HD2) 5.0 2.8 1.0
 
assign (residue 22 and name HN) (residue 22 and name HA) 3.2 1.0 0.3
assign (residue 22 and name HN) (residue 22 and name HB#) 3.2 1.0 0.3

assign (residue 23 and name HN) (residue 23 and name HA) 4.2 2.0 0.3
assign (residue 23 and name HN) (residue 23 and name HB#) 3.2 1.0 0.3

assign (residue 24 and name HN) (residue 24 and name HA) 4.2 2.0 0.3
assign (residue 24 and name HN) (residue 24 and name HB1) 3.2 1.0 0.3
assign (residue 24 and name HN) (residue 24 and name HB2) 4.2 2.0 0.3

assign (residue 25 and name HN) (residue 25 and name HB1) 4.2 2.0 0.3
assign (residue 25 and name HN) (residue 25 and name HB2) 5.0 2.8 1.0 



! Sequential Residue NOE Constraints Total-72 Utilized-62 



assign (residue 4 and name HN) (residue 3 and name HN) 3.2 1.4 0.8 
assign (residue 4 and name HN) (residue 3 and name HG##) 5.0 2.8 1.0  
assign (residue 4 and name HN) (residue 5 and name HN) 3.2 1.4 0.8 

assign (residue 6 and name HN) (residue 7 and name HN) 3.2 1.4 0.3

assign (residue 7 and name HN) (residue 6 and name HA1) 3.2 1.4 0.3 

assign (residue 8 and name HN) (residue 7 and name HN) 3.2 1.4 0.3  
assign (residue 8 and name HN) (residue 7 and name HB1) 3.2 1.4 0.3
assign (residue 8 and name HN) (residue 7 and name HG#) 5.0 2.8 1.0  
assign (residue 8 and name HB1) (residue 7 and name HG#) 5.0 2.8 1.0
assign (residue 8 and name HB1) (residue 9 and name HD1) 4.2 2.0 0.3 
assign (residue 8 and name HB1) (residue 9 and name HD2) 4.2 2.0 0.3 
assign (residue 8 and name HB2) (residue 9 and name HD1) 4.2 2.0 0.3 
assign (residue 8 and name HB2) (residue 9 and name HD2) 4.2 2.0 0.3 

assign (residue 10 and name HN) (residue 9 and name HA) 3.2 1.4 0.8  
assign (residue 10 and name HN) (residue 9 and name HB#) 5.0 2.8 1.0
assign (residue 10 and name HN) (residue 9 and name HG#) 5.0 2.8 1.0 

assign (residue 11 and name HN) (residue 10 and name HN) 3.2 1.4 0.3
assign (residue 11 and name HN) (residue 12 and name HN) 5.0 2.8 1.0 
assign (residue 11 and name HN) (residue 12 and name HA) 5.0 2.8 1.0 

assign (residue 12 and name HN) (residue 11 and name HA2) 4.2 2.0 0.3  



assign (residue 13 and name HN) (residue 12 and name HA) 3.2 1.4 0.3 
assign (residue 13 and name HN) (residue 12 and name HB#) 4.2 2.0 0.3 
assign (residue 13 and name HN) (residue 12 and name HD2) 5.0 2.8 1.0 
assign (residue 13 and name HN) (residue 12 and name HG1) 5.0 2.8 1.0
assign (residue 13 and name HN) (residue 12 and name HG2) 5.0 2.8 1.0

 
assign (residue 14 and name HN) (residue 13 and name HA) 3.2 1.4 0.3 
assign (residue 14 and name HN) (residue 13 and name HB) 4.2 2.0 0.3 

assign (residue 15 and name HN) (residue 14 and name HN) 5.0 2.8 1.0 

assign (residue 15 and name HN) (residue 14 and name HB#) 3.2 1.4 0.8
assign (residue 15 and name HN) (residue 14 and name HD#) 4.2 2.0 0.3
assign (residue 15 and name HN) (residue 14 and name HE) 5.0 2.8 1.0 
assign (residue 15 and name HN) (residue 14 and name HG#) 4.2 2.0 0.3


assign (residue 16 and name HN) (residue 15 and name HA) 4.2 2.0 0.3  
assign (residue 16 and name HN) (residue 15 and name HB1) 4.2 2.0 0.5
assign (residue 16 and name HN) (residue 15 and name HB2) 5.0 2.8 1.0 

assign (residue 17 and name HN) (residue 16 and name HA) 5.0 2.8 1.0  
assign (residue 17 and name HN) (residue 16 and name HB1) 5.0 2.8 1.0 
assign (residue 17 and name HN) (residue 16 and name HB2) 5.0 2.8 1.0 
assign (residue 17 and name HN) (residue 16 and name HD1#) 4.2 2.0 0.3 
assign (residue 17 and name HN) (residue 18 and name HN) 3.2 1.4 0.8 

assign (residue 18 and name HN) (residue 17 and name HA#) 5.0 2.8 1.0 

assign (residue 19 and name HN) (residue 18 and name HD1#) 4.2 2.0 0.5

assign (residue 19 and name HN) (residue 18 and name HN) 5.0 2.8 1.0 
assign (residue 19 and name HN) (residue 18 and name HA) 3.2 1.4 0.8 
assign (residue 19 and name HN) (residue 18 and name HB) 4.2 2.0 0.3
assign (residue 19 and name HN) (residue 18 and name HG1#) 4.2 2.0 0.3
assign (residue 19 and name HN) (residue 18 and name HG2#) 5.0 2.8 1.0 

assign (residue 20 and name HN) (residue 19 and name HA) 3.2 1.4 0.3  
assign (residue 20 and name HN) (residue 19 and name HB1) 3.2 1.4 0.8  
assign (residue 20 and name HN) (residue 19 and name HB2) 4.2 2.0 0.3

assign (residue 21 and name HA) (residue 22 and name HB#) 4.2 2.0 0.3 
assign (residue 21 and name HD1) (residue 20 and name HB) 4.2 2.0 0.3 
assign (residue 21 and name HD2) (residue 20 and name HB) 4.2 2.0 0.3 

assign (residue 22 and name HN) (residue 21 and name HA) 4.2 2.0 0.3 
assign (residue 22 and name HN) (residue 21 and name HB#) 5.0 2.8 1.0 
assign (residue 22 and name HN) (residue 23 and name HN) 4.2 2.0 0.3 

assign (residue 23 and name HN) (residue 22 and name HA) 5.0 2.8 1.0 
assign (residue 23 and name HN) (residue 22 and name HB#) 3.2 1.4 0.3 
assign (residue 23 and name HN) (residue 24 and name HN) 2.2 0.4 0.3

assign (residue 24 and name HN) (residue 23 and name HA) 4.0 2.0 0.3 
assign (residue 24 and name HN) (residue 25 and name HN) 3.2 1.4 0.3

assign (residue 25 and name HN) (residue 24 and name HB1) 4.2 2.0 0.3
assign (residue 25 and name HN) (residue 24 and name HB2) 4.2 2.0 0.3




! Medium Range NOE Constraints Total-41 Utilized-16


assign (residue 5 and name HN) (residue 3 and name HG##) 4.2 2.0 0.3

assign (residue 6 and name HN) (residue 3 and name HG##) 4.2 2.0 0.3

assign (residue 8 and name HB1) (residue 12 and name HB1) 3.2 1.4 0.3
assign (residue 8 and name HB1) (residue 12 and name HG1) 5.0 2.8 1.0
assign (residue 8 and name HB1) (residue 12 and name HG2) 3.2 1.4 0.8

assign (residue 15 and name HN) (residue 13 and name HG##) 4.2 2.0 0.8 assign (residue 15 and name HN) (residue 17 and name HN) 4.2 2.0 0.3

assign (residue 16 and name HN) (residue 18 and name HN) 5.0 2.8 1.0 

assign (residue 18 and name HN) (residue 16 and name HN) 5.0 2.8 1.0 
assign (residue 18 and name HN) (residue 16 and name HA) 4.2 2.0 0.5 
assign (residue 18 and name HN) (residue 16 and name HB1) 5.0 2.8 1.0 
assign (residue 18 and name HN) (residue 20 and name HG2#) 5.0 2.8 1.0 assign (residue 18 and name HB) (residue 20 and name HG2#) 5.0 2.8 1.0 
assign (residue 18 and name HG1#) (residue 20 and name HG2#) 5.0 2.8 1.0 



assign (residue 23 and name HN) (residue 21 and name HB#) 4.2 2.0 0.3

assign (residue 24 and name HN) (residue 22 and name HA) 5.0 2.8 1.0 
 
! Long Range NOE Constraints Total-41 Utilized-9



assign (residue 19 and name HN) (residue 13 and name HG##) 5.0 2.8 1.0 
assign (residue 20 and name HN) (residue 12 and name HD1) 5.0 2.8 1.0 assign (residue 20 and name HN) (residue 12 and name HG1) 5.0 2.8 1.0 assign (residue 20 and name HN) (residue 13 and name HN) 4.2 2.0 0.3 assign (residue 20 and name HN) (residue 14 and name HA) 4.2 2.8 0.3
assign (residue 20 and name HN) (residue 14 and name HB#) 5.0 2.8 1.0 assign (residue 20 and name HN) (residue 14 and name HG#) 5.0 2.8 1.0 

assign (residue 22 and name HN) (residue 12 and name HG1) 6.0 3.8 1.0 assign (residue 22 and name HN) (residue 12 and name HG2) 6.0 3.8 1.0 




! Disulfide Constraints

assign (residue 8 and name CB) (residue 19 and name SG) 3.2 1.0 0.3
assign (residue 8 and name SG) (residue 19 and name SG) 2.05 0.05 0.45



! Hydrogen Bond Constraints

assign (residue 10 and name HN) (residue 8 and name O) 2.2 0.4 0.3  
assign (residue 10 and name N) (residue 8 and name O) 3.2 0.8 0.3

assign (residue 18 and name HN) (residue 15 and name O) 2.2 0.4 0.3  
assign (residue 18 and name N) (residue 15 and name O) 3.2 0.8 0.3

assign (residue 15 and name HN) (residue 18 and name O) 3.2 0.8 0.8 assign (residue 15 and name N) (residue 18 and name O) 4.2 2.0 0.3


assign (residue 13 and name HN) (residue 20 and name O) 4.2 2.0 0.3  
assign (residue 13 and name N) (residue 20 and name O) 5.2 3.0 0.3
# Restraints file 2: SRP2Dihedral_SbqKBfF.tbl
!Phi
!P9
assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c ) 1.0 -70.0 30.0 2 
 
!R12
assign (resid  11  and name c ) (resid  12  and name n ) 
        (resid  12  and name ca) (resid  12  and name c )   1.0  -135.0 45.0 2

!V13
assign (resid  12 and name c ) (resid  13  and name n ) 
        (resid  13  and name ca) (resid  13  and name c )   1.0  -135.0 45.0 2

!R14
assign (resid  13 and name c ) (resid  14  and name n ) 
        (resid  14  and name ca) (resid  14  and name c )   1.0  -135.0 45.0 2

!R15
assign (resid  14 and name c ) (resid  15  and name n ) 
        (resid  15  and name ca) (resid  15  and name c )   1.0  -135.0 55.0 2

!L16

assign (resid  15 and name c ) (resid  16  and name n ) 
        (resid  16  and name ca) (resid  16  and name c )   1.0  60.0 30.0 2 

!G17

assign (resid  16 and name c ) (resid  17  and name n ) 
        (resid  17  and name ca) (resid  17  and name c )   1.0  90.0 30.0 2 


!I18
assign (resid  17  and name c ) (resid  18  and name n ) 
        (resid  18  and name ca) (resid  18  and name c )   1.0  -135.0 45.0 2

!C19
assign (resid  18  and name c ) (resid  19  and name n ) 
        (resid  19  and name ca) (resid  19  and name c )   1.0  -135.0 45.0 2

!V20
assign (resid  19  and name c ) (resid  20  and name n ) 
        (resid  20  and name ca) (resid  20  and name c )   1.0  -135.0 45.0 2

!Psi

!P9
assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name c ) (resid 10 and name n ) 1.0 60.0 30.0 2 

!R12
assign (resid 12 and name n ) (resid 12 and name ca) 
        (resid 12 and name c ) (resid 13 and name n )   1.0  135.0 45.0 2

!V13
assign (resid 13 and name n ) (resid 13 and name ca) 
        (resid 13 and name c ) (resid 14 and name n )   1.0  135.0 45.0 2
!R14
assign (resid 14 and name n ) (resid 14 and name ca) 
        (resid 14 and name c ) (resid 15 and name n )   1.0  135.0 45.0 2

!R15
assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name c ) (resid 16 and name n )   1.0  135.0 45.0 2

!L16

assign (resid 16 and name n ) (resid 16 and name ca) 
        (resid 16 and name c ) (resid 17 and name n )   1.0  30.0 30.0 2 

!G17
assign (resid 17 and name n ) (resid 17 and name ca) 
        (resid 17 and name c ) (resid 18 and name n )   1.0  0.0 30.0 2 

!I18
assign (resid 18 and name n ) (resid 18 and name ca) 
        (resid 18 and name c ) (resid 19 and name n )   1.0  135.0 45.0 2

!C19
assign (resid 19 and name n ) (resid 19 and name ca) 
        (resid 19 and name c ) (resid 20 and name n )   1.0  135.0 45.0 2

!V20
assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name c ) (resid 21 and name n )   1.0  135.0 45.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  23.601   0.111   9.387
    2    H2   PHE   1           HT2      PHE   1  22.363  -0.766   8.641
    3    H3   PHE   1           HT3      PHE   1  22.425   0.916   8.473
    4    HA   PHE   1           HA       PHE   1  24.472   0.770   7.241
    5    HB2  PHE   1           HB2      PHE   1  24.108  -2.193   7.712
    6    HB3  PHE   1           HB1      PHE   1  25.189  -1.541   6.485
    7    HD1  PHE   1           HD1      PHE   1  24.627  -2.002  10.065
    8    HD2  PHE   1           HD2      PHE   1  27.244  -0.425   7.102
    9    HE1  PHE   1           HE1      PHE   1  26.409  -1.805  11.750
   10    HE2  PHE   1           HE2      PHE   1  29.031  -0.226   8.782
   11    HZ   PHE   1           HZ       PHE   1  28.615  -0.916  11.110
   12    H    GLY   2           HN       GLY   2  24.394   0.727   5.001
   13    HA2  GLY   2           HA2      GLY   2  21.757   0.029   3.879
   14    HA3  GLY   2           HA1      GLY   2  22.818   1.282   3.254
   15    H    VAL   3           HN       VAL   3  25.234  -0.142   3.203
   16    HA   VAL   3           HA       VAL   3  24.773  -2.478   1.529
   17    HB   VAL   3           HB       VAL   3  26.460  -1.616  -0.172
   18   HG11  VAL   3          HG11      VAL   3  24.758  -0.410  -1.465
   19   HG12  VAL   3          HG12      VAL   3  23.767  -0.277  -0.012
   20   HG13  VAL   3          HG13      VAL   3  24.114  -1.863  -0.700
   21   HG21  VAL   3          HG21      VAL   3  25.757   1.049   1.069
   22   HG22  VAL   3          HG22      VAL   3  26.568   0.839  -0.483
   23   HG23  VAL   3          HG23      VAL   3  27.354   0.304   1.003
   24    H    LYS   4           HN       LYS   4  26.000  -4.022   2.284
   25    HA   LYS   4           HA       LYS   4  28.238  -3.554   4.004
   26    HB2  LYS   4           HB2      LYS   4  26.945  -6.021   2.872
   27    HB3  LYS   4           HB1      LYS   4  28.437  -6.116   3.792
   28    HG2  LYS   4           HG2      LYS   4  27.327  -5.081   5.708
   29    HG3  LYS   4           HG1      LYS   4  25.828  -4.987   4.781
   30    HD2  LYS   4           HD2      LYS   4  25.795  -7.426   4.587
   31    HD3  LYS   4           HD1      LYS   4  27.299  -7.522   5.505
   32    HE2  LYS   4           HE2      LYS   4  26.185  -6.499   7.429
   33    HE3  LYS   4           HE1      LYS   4  24.683  -6.404   6.511
   34    HZ1  LYS   4           HZ1      LYS   4  24.669  -8.817   6.356
   35    HZ2  LYS   4           HZ2      LYS   4  24.698  -8.321   7.973
   36    HZ3  LYS   4           HZ3      LYS   4  26.108  -8.905   7.243
   37    H    ASP   5           HN       ASP   5  27.848  -4.716   0.674
   38    HA   ASP   5           HA       ASP   5  30.756  -4.605   0.319
   39    HB2  ASP   5           HB2      ASP   5  28.599  -6.231  -0.994
   40    HB3  ASP   5           HB1      ASP   5  30.137  -5.968  -1.797
   41    H    GLY   6           HN       GLY   6  31.252  -2.614  -0.357
   42    HA2  GLY   6           HA2      GLY   6  29.739  -1.503  -2.643
   43    HA3  GLY   6           HA1      GLY   6  30.432  -0.505  -1.372
   44    H    LYS   7           HN       LYS   7  32.435   0.266  -1.628
   45    HA   LYS   7           HA       LYS   7  34.150  -0.938  -3.694
   46    HB2  LYS   7           HB2      LYS   7  32.904   1.331  -4.234
   47    HB3  LYS   7           HB1      LYS   7  34.191   2.027  -3.262
   48    HG2  LYS   7           HG2      LYS   7  35.857   1.057  -4.763
   49    HG3  LYS   7           HG1      LYS   7  34.567   0.344  -5.734
   50    HD2  LYS   7           HD2      LYS   7  33.706   2.588  -6.223
   51    HD3  LYS   7           HD1      LYS   7  35.009   3.294  -5.262
   52    HE2  LYS   7           HE2      LYS   7  36.659   2.335  -6.784
   53    HE3  LYS   7           HE1      LYS   7  35.368   1.602  -7.734
   54    HZ1  LYS   7           HZ1      LYS   7  35.777   4.517  -7.336
   55    HZ2  LYS   7           HZ2      LYS   7  34.544   3.812  -8.253
   56    HZ3  LYS   7           HZ3      LYS   7  36.155   3.651  -8.739
   57    H    CYS   8           HN       CYS   8  34.340   1.630  -1.188
   58    HA   CYS   8           HA       CYS   8  36.721   0.309  -0.114
   59    HB2  CYS   8           HB2      CYS   8  36.151   3.254  -0.468
   60    HB3  CYS   8           HB1      CYS   8  37.496   2.616   0.452
   61    HA   PRO   9           HA       PRO   9  34.614   0.588   3.841
   62    HB2  PRO   9           HB2      PRO   9  37.066   0.961   5.356
   63    HB3  PRO   9           HB1      PRO   9  36.098  -0.511   5.173
   64    HG2  PRO   9           HG2      PRO   9  38.589  -0.244   4.149
   65    HG3  PRO   9           HG1      PRO   9  37.339  -1.281   3.428
   66    HD2  PRO   9           HD2      PRO   9  38.199   1.471   2.618
   67    HD3  PRO   9           HD1      PRO   9  37.853   0.055   1.606
   68    H    SER  10           HN       SER  10  35.176   3.203   2.439
   69    HA   SER  10           HA       SER  10  34.860   5.415   2.743
   70    HB2  SER  10           HB2      SER  10  33.967   4.632   5.532
   71    HB3  SER  10           HB1      SER  10  33.744   6.223   4.804
   72    HG   SER  10           HG       SER  10  32.825   3.989   3.402
   73    H    GLY  11           HN       GLY  11  36.744   6.377   2.532
   74    HA2  GLY  11           HA2      GLY  11  38.335   7.901   3.426
   75    HA3  GLY  11           HA1      GLY  11  38.230   7.069   4.968
   76    H    ARG  12           HN       ARG  12  38.898   5.930   1.659
   77    HA   ARG  12           HA       ARG  12  41.518   4.967   2.560
   78    HB2  ARG  12           HB2      ARG  12  39.387   3.316   2.114
   79    HB3  ARG  12           HB1      ARG  12  40.158   3.316   0.534
   80    HG2  ARG  12           HG2      ARG  12  41.240   1.561   1.498
   81    HG3  ARG  12           HG1      ARG  12  42.316   2.879   1.964
   82    HD2  ARG  12           HD2      ARG  12  40.917   3.027   4.101
   83    HD3  ARG  12           HD1      ARG  12  40.263   1.459   3.634
   84    HE   ARG  12           HE       ARG  12  43.030   1.243   3.548
   85   HH11  ARG  12          HH11      ARG  12  41.515   1.115   7.268
   86   HH12  ARG  12          HH12      ARG  12  40.577   1.821   5.996
   87   HH21  ARG  12          HH21      ARG  12  43.586   0.272   6.840
   88   HH22  ARG  12          HH22      ARG  12  44.245   0.330   5.240
   89    H    VAL  13           HN       VAL  13  43.053   4.578   0.797
   90    HA   VAL  13           HA       VAL  13  42.756   6.579  -1.305
   91    HB   VAL  13           HB       VAL  13  44.806   6.582   0.107
   92   HG11  VAL  13          HG11      VAL  13  46.590   4.926  -0.316
   93   HG12  VAL  13          HG12      VAL  13  45.440   3.966  -1.248
   94   HG13  VAL  13          HG13      VAL  13  45.172   4.235   0.474
   95   HG21  VAL  13          HG21      VAL  13  46.430   6.863  -1.724
   96   HG22  VAL  13          HG22      VAL  13  44.883   7.644  -2.059
   97   HG23  VAL  13          HG23      VAL  13  45.282   6.109  -2.832
   98    H    ARG  14           HN       ARG  14  42.469   6.124  -3.404
   99    HA   ARG  14           HA       ARG  14  42.238   3.311  -4.177
  100    HB2  ARG  14           HB2      ARG  14  40.417   5.146  -4.535
  101    HB3  ARG  14           HB1      ARG  14  41.400   5.601  -5.919
  102    HG2  ARG  14           HG2      ARG  14  41.199   3.266  -6.755
  103    HG3  ARG  14           HG1      ARG  14  40.088   2.934  -5.425
  104    HD2  ARG  14           HD2      ARG  14  38.737   3.408  -7.298
  105    HD3  ARG  14           HD1      ARG  14  38.688   4.851  -6.289
  106    HE   ARG  14           HE       ARG  14  40.739   5.201  -8.134
  107   HH11  ARG  14          HH11      ARG  14  37.071   5.822  -9.649
  108   HH12  ARG  14          HH12      ARG  14  37.243   4.877  -8.208
  109   HH21  ARG  14          HH21      ARG  14  40.490   6.437 -10.018
  110   HH22  ARG  14          HH22      ARG  14  38.909   6.703 -10.673
  111    H    ARG  15           HN       ARG  15  43.334   2.402  -5.827
  112    HA   ARG  15           HA       ARG  15  45.190   3.944  -7.452
  113    HB2  ARG  15           HB2      ARG  15  46.059   1.813  -5.499
  114    HB3  ARG  15           HB1      ARG  15  47.021   2.223  -6.909
  115    HG2  ARG  15           HG2      ARG  15  47.197   4.531  -6.117
  116    HG3  ARG  15           HG1      ARG  15  46.243   4.108  -4.694
  117    HD2  ARG  15           HD2      ARG  15  47.955   2.508  -4.014
  118    HD3  ARG  15           HD1      ARG  15  48.903   2.902  -5.448
  119    HE   ARG  15           HE       ARG  15  48.383   5.249  -3.976
  120   HH11  ARG  15          HH11      ARG  15  51.586   3.110  -2.837
  121   HH12  ARG  15          HH12      ARG  15  50.355   2.350  -3.790
  122   HH21  ARG  15          HH21      ARG  15  50.005   6.224  -2.731
  123   HH22  ARG  15          HH22      ARG  15  51.387   5.302  -2.239
  124    H    LEU  16           HN       LEU  16  45.208   3.182  -9.484
  125    HA   LEU  16           HA       LEU  16  44.898   1.912 -11.326
  126    HB2  LEU  16           HB2      LEU  16  45.356  -0.315  -9.354
  127    HB3  LEU  16           HB1      LEU  16  45.051  -0.629 -11.050
  128    HG   LEU  16           HG       LEU  16  47.067   1.007 -11.428
  129   HD11  LEU  16          HD11      LEU  16  48.764   0.789  -9.646
  130   HD12  LEU  16          HD12      LEU  16  47.540   0.061  -8.605
  131   HD13  LEU  16          HD13      LEU  16  47.358   1.728  -9.149
  132   HD21  LEU  16          HD21      LEU  16  47.044  -1.329 -12.080
  133   HD22  LEU  16          HD22      LEU  16  47.402  -1.815 -10.424
  134   HD23  LEU  16          HD23      LEU  16  48.595  -0.910 -11.355
  135    H    GLY  17           HN       GLY  17  42.606   2.227  -9.067
  136    HA2  GLY  17           HA2      GLY  17  40.306   2.280  -9.963
  137    HA3  GLY  17           HA1      GLY  17  40.626   0.692 -10.638
  138    H    ILE  18           HN       ILE  18  42.117   0.409  -7.811
  139    HA   ILE  18           HA       ILE  18  39.744  -0.029  -6.164
  140    HB   ILE  18           HB       ILE  18  40.662  -2.308  -5.458
  141   HG12  ILE  18          HG12      ILE  18  41.712  -3.394  -7.681
  142   HG13  ILE  18          HG11      ILE  18  42.366  -1.770  -7.842
  143   HG21  ILE  18          HG21      ILE  18  39.455  -3.455  -7.269
  144   HG22  ILE  18          HG22      ILE  18  39.482  -1.967  -8.214
  145   HG23  ILE  18          HG23      ILE  18  38.589  -2.029  -6.693
  146   HD11  ILE  18          HD11      ILE  18  43.922  -3.272  -6.723
  147   HD12  ILE  18          HD12      ILE  18  42.727  -3.574  -5.461
  148   HD13  ILE  18          HD13      ILE  18  43.413  -1.961  -5.658
  149    H    CYS  19           HN       CYS  19  40.030   0.214  -4.032
  150    HA   CYS  19           HA       CYS  19  42.579   1.289  -3.138
  151    HB2  CYS  19           HB2      CYS  19  41.317   1.971  -1.127
  152    HB3  CYS  19           HB1      CYS  19  40.564   2.548  -2.609
  153    H    VAL  20           HN       VAL  20  43.652   0.602  -1.253
  154    HA   VAL  20           HA       VAL  20  42.915  -1.970  -0.103
  155    HB   VAL  20           HB       VAL  20  45.351  -2.762  -0.312
  156   HG11  VAL  20          HG11      VAL  20  43.596  -2.664  -2.770
  157   HG12  VAL  20          HG12      VAL  20  43.491  -3.839  -1.460
  158   HG13  VAL  20          HG13      VAL  20  44.916  -3.802  -2.501
  159   HG21  VAL  20          HG21      VAL  20  46.353  -0.689  -1.157
  160   HG22  VAL  20          HG22      VAL  20  45.339  -0.769  -2.597
  161   HG23  VAL  20          HG23      VAL  20  46.571  -2.000  -2.318
  162    HA   PRO  21           HA       PRO  21  44.601  -0.086   3.580
  163    HB2  PRO  21           HB2      PRO  21  45.417  -2.607   4.760
  164    HB3  PRO  21           HB1      PRO  21  43.998  -1.621   5.145
  165    HG2  PRO  21           HG2      PRO  21  43.834  -4.065   3.985
  166    HG3  PRO  21           HG1      PRO  21  42.634  -2.780   3.747
  167    HD2  PRO  21           HD2      PRO  21  44.876  -3.620   1.950
  168    HD3  PRO  21           HD1      PRO  21  43.203  -3.183   1.543
  169    H    ASP  22           HN       ASP  22  46.476   0.702   4.406
  170    HA   ASP  22           HA       ASP  22  48.986  -0.439   3.368
  171    HB2  ASP  22           HB2      ASP  22  48.247   2.409   4.046
  172    HB3  ASP  22           HB1      ASP  22  49.908   1.896   3.767
  173    H    ASP  23           HN       ASP  23  47.560   1.139   6.233
  174    HA   ASP  23           HA       ASP  23  49.848   0.362   7.865
  175    HB2  ASP  23           HB2      ASP  23  47.420   2.064   8.421
  176    HB3  ASP  23           HB1      ASP  23  48.580   1.622   9.670
  177    H    ASP  24           HN       ASP  24  46.544  -0.602   7.297
  178    HA   ASP  24           HA       ASP  24  46.383  -2.225   9.691
  179    HB2  ASP  24           HB2      ASP  24  44.505  -1.657   7.412
  180    HB3  ASP  24           HB1      ASP  24  44.162  -2.910   8.593
  181    H    TYR  25           HN       TYR  25  46.688  -2.727   6.190
  182    HA   TYR  25           HA       TYR  25  47.472  -5.513   6.728
  183    HB2  TYR  25           HB2      TYR  25  45.131  -5.099   5.632
  184    HB3  TYR  25           HB1      TYR  25  46.066  -4.769   4.179
  185    HD1  TYR  25           HD1      TYR  25  45.016  -7.344   6.561
  186    HD2  TYR  25           HD2      TYR  25  47.273  -6.550   3.044
  187    HE1  TYR  25           HE1      TYR  25  45.129  -9.756   6.096
  188    HE2  TYR  25           HE2      TYR  25  47.393  -8.959   2.568
  189    HH   TYR  25           HH       TYR  25  47.231 -11.086   3.790
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  18.917  -0.750   1.083
    2    H2   PHE   1           HT2      PHE   1  19.965  -0.960   2.394
    3    H3   PHE   1           HT3      PHE   1  18.316  -1.296   2.568
    4    HA   PHE   1           HA       PHE   1  19.595  -3.326   2.378
    5    HB2  PHE   1           HB2      PHE   1  17.235  -2.903   1.311
    6    HB3  PHE   1           HB1      PHE   1  18.104  -3.033  -0.213
    7    HD1  PHE   1           HD1      PHE   1  19.047  -5.144  -0.932
    8    HD2  PHE   1           HD2      PHE   1  16.940  -4.823   2.751
    9    HE1  PHE   1           HE1      PHE   1  18.879  -7.597  -0.819
   10    HE2  PHE   1           HE2      PHE   1  16.769  -7.274   2.870
   11    HZ   PHE   1           HZ       PHE   1  17.739  -8.664   1.083
   12    H    GLY   2           HN       GLY   2  21.269  -4.416   1.520
   13    HA2  GLY   2           HA2      GLY   2  22.542  -4.964  -0.543
   14    HA3  GLY   2           HA1      GLY   2  22.605  -3.233  -0.839
   15    H    VAL   3           HN       VAL   3  24.721  -2.787  -0.725
   16    HA   VAL   3           HA       VAL   3  26.042  -3.098   1.845
   17    HB   VAL   3           HB       VAL   3  28.201  -3.810   0.693
   18   HG11  VAL   3          HG11      VAL   3  27.635  -6.195   0.788
   19   HG12  VAL   3          HG12      VAL   3  25.922  -5.777   0.813
   20   HG13  VAL   3          HG13      VAL   3  26.966  -5.294   2.150
   21   HG21  VAL   3          HG21      VAL   3  27.623  -3.457  -1.631
   22   HG22  VAL   3          HG22      VAL   3  26.292  -4.608  -1.511
   23   HG23  VAL   3          HG23      VAL   3  27.957  -5.169  -1.368
   24    H    LYS   4           HN       LYS   4  26.751  -1.187   2.400
   25    HA   LYS   4           HA       LYS   4  27.099   0.936   0.494
   26    HB2  LYS   4           HB2      LYS   4  27.726   2.301   2.529
   27    HB3  LYS   4           HB1      LYS   4  26.122   1.594   2.556
   28    HG2  LYS   4           HG2      LYS   4  26.936  -0.177   4.053
   29    HG3  LYS   4           HG1      LYS   4  28.540   0.557   4.034
   30    HD2  LYS   4           HD2      LYS   4  27.617   2.601   5.014
   31    HD3  LYS   4           HD1      LYS   4  26.009   1.874   5.022
   32    HE2  LYS   4           HE2      LYS   4  26.814   0.125   6.535
   33    HE3  LYS   4           HE1      LYS   4  28.418   0.857   6.527
   34    HZ1  LYS   4           HZ1      LYS   4  27.164   1.498   8.486
   35    HZ2  LYS   4           HZ2      LYS   4  25.933   2.144   7.523
   36    HZ3  LYS   4           HZ3      LYS   4  27.469   2.849   7.516
   37    H    ASP   5           HN       ASP   5  29.276  -0.832   2.688
   38    HA   ASP   5           HA       ASP   5  31.549   0.099   1.082
   39    HB2  ASP   5           HB2      ASP   5  31.259  -0.354   4.040
   40    HB3  ASP   5           HB1      ASP   5  32.833  -0.397   3.268
   41    H    GLY   6           HN       GLY   6  32.205  -1.502  -0.191
   42    HA2  GLY   6           HA2      GLY   6  31.926  -4.283   0.694
   43    HA3  GLY   6           HA1      GLY   6  32.199  -3.750  -0.956
   44    H    LYS   7           HN       LYS   7  34.399  -2.346  -1.016
   45    HA   LYS   7           HA       LYS   7  36.452  -4.226  -0.163
   46    HB2  LYS   7           HB2      LYS   7  36.343  -2.012  -2.184
   47    HB3  LYS   7           HB1      LYS   7  37.883  -2.666  -1.658
   48    HG2  LYS   7           HG2      LYS   7  37.203  -4.889  -2.405
   49    HG3  LYS   7           HG1      LYS   7  35.647  -4.236  -2.923
   50    HD2  LYS   7           HD2      LYS   7  36.801  -2.766  -4.510
   51    HD3  LYS   7           HD1      LYS   7  38.353  -3.433  -3.995
   52    HE2  LYS   7           HE2      LYS   7  37.654  -5.647  -4.762
   53    HE3  LYS   7           HE1      LYS   7  36.100  -4.986  -5.267
   54    HZ1  LYS   7           HZ1      LYS   7  37.257  -3.571  -6.847
   55    HZ2  LYS   7           HZ2      LYS   7  37.616  -5.199  -7.131
   56    HZ3  LYS   7           HZ3      LYS   7  38.748  -4.206  -6.362
   57    H    CYS   8           HN       CYS   8  35.858  -0.703  -0.019
   58    HA   CYS   8           HA       CYS   8  37.506  -0.605   2.407
   59    HB2  CYS   8           HB2      CYS   8  38.209   1.746   1.543
   60    HB3  CYS   8           HB1      CYS   8  39.023   0.324   0.904
   61    HA   PRO   9           HA       PRO   9  34.125   1.833   4.028
   62    HB2  PRO   9           HB2      PRO   9  35.783   3.346   5.851
   63    HB3  PRO   9           HB1      PRO   9  34.780   1.930   6.204
   64    HG2  PRO   9           HG2      PRO   9  37.497   1.919   6.331
   65    HG3  PRO   9           HG1      PRO   9  36.512   0.479   6.005
   66    HD2  PRO   9           HD2      PRO   9  37.991   2.227   4.076
   67    HD3  PRO   9           HD1      PRO   9  37.868   0.456   4.130
   68    H    SER  10           HN       SER  10  35.544   3.028   1.696
   69    HA   SER  10           HA       SER  10  35.393   4.878   0.398
   70    HB2  SER  10           HB2      SER  10  33.806   6.100   2.668
   71    HB3  SER  10           HB1      SER  10  33.992   6.806   1.063
   72    HG   SER  10           HG       SER  10  33.070   4.760   0.283
   73    H    GLY  11           HN       GLY  11  36.281   5.579   3.760
   74    HA2  GLY  11           HA2      GLY  11  37.938   7.837   2.972
   75    HA3  GLY  11           HA1      GLY  11  37.701   7.236   4.606
   76    H    ARG  12           HN       ARG  12  38.889   5.717   1.619
   77    HA   ARG  12           HA       ARG  12  41.446   5.152   2.956
   78    HB2  ARG  12           HB2      ARG  12  39.582   3.236   2.591
   79    HB3  ARG  12           HB1      ARG  12  40.396   3.134   1.039
   80    HG2  ARG  12           HG2      ARG  12  42.341   2.340   1.957
   81    HG3  ARG  12           HG1      ARG  12  42.051   3.112   3.517
   82    HD2  ARG  12           HD2      ARG  12  40.187   1.474   3.871
   83    HD3  ARG  12           HD1      ARG  12  40.719   0.649   2.408
   84    HE   ARG  12           HE       ARG  12  42.973   0.677   3.816
   85   HH11  ARG  12          HH11      ARG  12  40.269  -1.283   6.050
   86   HH12  ARG  12          HH12      ARG  12  39.722  -0.165   4.844
   87   HH21  ARG  12          HH21      ARG  12  42.499  -1.631   6.367
   88   HH22  ARG  12          HH22      ARG  12  43.665  -0.785   5.406
   89    H    VAL  13           HN       VAL  13  43.034   4.215   1.116
   90    HA   VAL  13           HA       VAL  13  43.129   6.307  -0.902
   91    HB   VAL  13           HB       VAL  13  45.127   5.784   0.506
   92   HG11  VAL  13          HG11      VAL  13  45.246   3.226  -1.085
   93   HG12  VAL  13          HG12      VAL  13  44.999   3.380   0.656
   94   HG13  VAL  13          HG13      VAL  13  46.539   3.850  -0.061
   95   HG21  VAL  13          HG21      VAL  13  46.778   5.910  -1.307
   96   HG22  VAL  13          HG22      VAL  13  45.408   6.988  -1.574
   97   HG23  VAL  13          HG23      VAL  13  45.524   5.470  -2.465
   98    H    ARG  14           HN       ARG  14  42.961   6.032  -3.060
   99    HA   ARG  14           HA       ARG  14  42.306   3.332  -4.039
  100    HB2  ARG  14           HB2      ARG  14  40.582   5.349  -4.037
  101    HB3  ARG  14           HB1      ARG  14  41.433   5.778  -5.515
  102    HG2  ARG  14           HG2      ARG  14  40.945   3.513  -6.399
  103    HG3  ARG  14           HG1      ARG  14  39.991   3.192  -4.951
  104    HD2  ARG  14           HD2      ARG  14  39.454   5.523  -6.776
  105    HD3  ARG  14           HD1      ARG  14  38.716   3.941  -7.011
  106    HE   ARG  14           HE       ARG  14  38.277   4.777  -4.362
  107   HH11  ARG  14          HH11      ARG  14  35.684   6.189  -7.085
  108   HH12  ARG  14          HH12      ARG  14  37.220   5.586  -7.612
  109   HH21  ARG  14          HH21      ARG  14  36.263   5.572  -3.697
  110   HH22  ARG  14          HH22      ARG  14  35.143   6.181  -4.870
  111    H    ARG  15           HN       ARG  15  43.403   2.524  -5.709
  112    HA   ARG  15           HA       ARG  15  45.102   4.228  -7.365
  113    HB2  ARG  15           HB2      ARG  15  46.095   1.917  -5.694
  114    HB3  ARG  15           HB1      ARG  15  46.968   2.495  -7.105
  115    HG2  ARG  15           HG2      ARG  15  47.211   4.689  -6.080
  116    HG3  ARG  15           HG1      ARG  15  46.291   4.144  -4.676
  117    HD2  ARG  15           HD2      ARG  15  48.560   4.000  -4.049
  118    HD3  ARG  15           HD1      ARG  15  48.054   2.347  -4.391
  119    HE   ARG  15           HE       ARG  15  49.175   3.518  -6.706
  120   HH11  ARG  15          HH11      ARG  15  51.736   1.775  -4.148
  121   HH12  ARG  15          HH12      ARG  15  50.156   2.220  -3.594
  122   HH21  ARG  15          HH21      ARG  15  51.248   2.928  -7.409
  123   HH22  ARG  15          HH22      ARG  15  52.352   2.177  -6.306
  124    H    LEU  16           HN       LEU  16  44.946   3.670  -9.455
  125    HA   LEU  16           HA       LEU  16  44.485   2.583 -11.383
  126    HB2  LEU  16           HB2      LEU  16  45.147   0.180  -9.694
  127    HB3  LEU  16           HB1      LEU  16  44.723   0.039 -11.388
  128    HG   LEU  16           HG       LEU  16  46.671   1.766 -11.725
  129   HD11  LEU  16          HD11      LEU  16  47.374   0.522  -9.069
  130   HD12  LEU  16          HD12      LEU  16  47.115   2.234  -9.402
  131   HD13  LEU  16          HD13      LEU  16  48.500   1.399 -10.105
  132   HD21  LEU  16          HD21      LEU  16  46.641  -0.485 -12.632
  133   HD22  LEU  16          HD22      LEU  16  47.142  -1.139 -11.073
  134   HD23  LEU  16          HD23      LEU  16  48.237  -0.102 -11.986
  135    H    GLY  17           HN       GLY  17  42.388   2.690  -8.965
  136    HA2  GLY  17           HA2      GLY  17  40.031   2.735  -9.445
  137    HA3  GLY  17           HA1      GLY  17  40.269   1.392 -10.549
  138    H    ILE  18           HN       ILE  18  42.033   0.881  -7.730
  139    HA   ILE  18           HA       ILE  18  39.831  -0.394  -6.295
  140    HB   ILE  18           HB       ILE  18  41.237  -2.481  -5.937
  141   HG12  ILE  18          HG12      ILE  18  42.601  -2.830  -8.256
  142   HG13  ILE  18          HG11      ILE  18  42.891  -1.116  -7.982
  143   HG21  ILE  18          HG21      ILE  18  39.217  -2.480  -7.285
  144   HG22  ILE  18          HG22      ILE  18  40.430  -3.538  -8.008
  145   HG23  ILE  18          HG23      ILE  18  40.133  -1.940  -8.693
  146   HD11  ILE  18          HD11      ILE  18  43.511  -3.340  -6.054
  147   HD12  ILE  18          HD12      ILE  18  43.800  -1.622  -5.777
  148   HD13  ILE  18          HD13      ILE  18  44.676  -2.469  -7.053
  149    H    CYS  19           HN       CYS  19  39.983  -0.240  -4.173
  150    HA   CYS  19           HA       CYS  19  42.287   1.117  -3.027
  151    HB2  CYS  19           HB2      CYS  19  40.783   1.208  -0.975
  152    HB3  CYS  19           HB1      CYS  19  40.221   2.085  -2.394
  153    H    VAL  20           HN       VAL  20  43.451   0.383  -1.241
  154    HA   VAL  20           HA       VAL  20  43.059  -2.380  -0.381
  155    HB   VAL  20           HB       VAL  20  45.588  -2.767  -0.559
  156   HG11  VAL  20          HG11      VAL  20  45.404  -3.556  -2.884
  157   HG12  VAL  20          HG12      VAL  20  43.937  -2.597  -3.085
  158   HG13  VAL  20          HG13      VAL  20  43.962  -3.940  -1.942
  159   HG21  VAL  20          HG21      VAL  20  45.364  -0.513  -2.573
  160   HG22  VAL  20          HG22      VAL  20  46.758  -1.570  -2.370
  161   HG23  VAL  20          HG23      VAL  20  46.290  -0.470  -1.073
  162    HA   PRO  21           HA       PRO  21  44.263  -0.791   3.619
  163    HB2  PRO  21           HB2      PRO  21  45.774  -3.191   4.337
  164    HB3  PRO  21           HB1      PRO  21  44.210  -2.634   4.959
  165    HG2  PRO  21           HG2      PRO  21  44.442  -4.827   3.427
  166    HG3  PRO  21           HG1      PRO  21  43.012  -3.774   3.385
  167    HD2  PRO  21           HD2      PRO  21  45.323  -3.889   1.481
  168    HD3  PRO  21           HD1      PRO  21  43.584  -3.754   1.141
  169    H    ASP  22           HN       ASP  22  45.977  -0.021   4.928
  170    HA   ASP  22           HA       ASP  22  48.663  -0.187   3.738
  171    HB2  ASP  22           HB2      ASP  22  47.217   2.280   4.714
  172    HB3  ASP  22           HB1      ASP  22  48.959   2.232   4.466
  173    H    ASP  23           HN       ASP  23  49.938  -1.201   5.149
  174    HA   ASP  23           HA       ASP  23  49.615  -0.631   8.023
  175    HB2  ASP  23           HB2      ASP  23  50.450  -3.182   6.637
  176    HB3  ASP  23           HB1      ASP  23  50.683  -2.912   8.361
  177    H    ASP  24           HN       ASP  24  51.960  -1.322   5.447
  178    HA   ASP  24           HA       ASP  24  54.177  -0.507   7.153
  179    HB2  ASP  24           HB2      ASP  24  53.984  -1.808   4.447
  180    HB3  ASP  24           HB1      ASP  24  55.500  -1.144   5.038
  181    H    TYR  25           HN       TYR  25  52.576   0.464   4.135
  182    HA   TYR  25           HA       TYR  25  54.070   3.002   4.211
  183    HB2  TYR  25           HB2      TYR  25  52.845   1.519   1.880
  184    HB3  TYR  25           HB1      TYR  25  53.426   3.176   1.768
  185    HD1  TYR  25           HD1      TYR  25  55.809   3.665   1.823
  186    HD2  TYR  25           HD2      TYR  25  54.395  -0.339   2.089
  187    HE1  TYR  25           HE1      TYR  25  58.077   2.839   1.351
  188    HE2  TYR  25           HE2      TYR  25  56.659  -1.176   1.618
  189    HH   TYR  25           HH       TYR  25  58.726  -0.392   0.544
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  25.806   0.750   9.047
    2    H2   PHE   1           HT2      PHE   1  24.508   0.676   7.966
    3    H3   PHE   1           HT3      PHE   1  25.448   2.078   8.060
    4    HA   PHE   1           HA       PHE   1  27.363   0.914   7.218
    5    HB2  PHE   1           HB2      PHE   1  25.452  -1.428   7.156
    6    HB3  PHE   1           HB1      PHE   1  26.980  -1.404   6.281
    7    HD1  PHE   1           HD1      PHE   1  25.393  -1.610   9.566
    8    HD2  PHE   1           HD2      PHE   1  29.089  -1.557   7.456
    9    HE1  PHE   1           HE1      PHE   1  26.548  -2.430  11.577
   10    HE2  PHE   1           HE2      PHE   1  30.251  -2.377   9.464
   11    HZ   PHE   1           HZ       PHE   1  28.981  -2.816  11.528
   12    H    GLY   2           HN       GLY   2  27.801   1.179   5.073
   13    HA2  GLY   2           HA2      GLY   2  25.623   1.157   3.128
   14    HA3  GLY   2           HA1      GLY   2  26.409   2.703   3.407
   15    H    VAL   3           HN       VAL   3  26.889  -0.595   2.286
   16    HA   VAL   3           HA       VAL   3  28.971   0.349   0.474
   17    HB   VAL   3           HB       VAL   3  30.324  -1.773   0.948
   18   HG11  VAL   3          HG11      VAL   3  30.228   0.405   3.028
   19   HG12  VAL   3          HG12      VAL   3  31.113   0.450   1.503
   20   HG13  VAL   3          HG13      VAL   3  31.577  -0.699   2.759
   21   HG21  VAL   3          HG21      VAL   3  28.719  -2.968   2.350
   22   HG22  VAL   3          HG22      VAL   3  28.780  -1.675   3.549
   23   HG23  VAL   3          HG23      VAL   3  30.210  -2.661   3.241
   24    H    LYS   4           HN       LYS   4  28.255  -0.127  -1.463
   25    HA   LYS   4           HA       LYS   4  26.568  -2.465  -1.904
   26    HB2  LYS   4           HB2      LYS   4  27.156   0.029  -3.460
   27    HB3  LYS   4           HB1      LYS   4  26.442  -1.362  -4.256
   28    HG2  LYS   4           HG2      LYS   4  24.584  -1.307  -2.642
   29    HG3  LYS   4           HG1      LYS   4  25.293   0.135  -1.911
   30    HD2  LYS   4           HD2      LYS   4  25.051   1.338  -4.016
   31    HD3  LYS   4           HD1      LYS   4  24.392  -0.109  -4.781
   32    HE2  LYS   4           HE2      LYS   4  22.509  -0.070  -3.211
   33    HE3  LYS   4           HE1      LYS   4  23.165   1.388  -2.468
   34    HZ1  LYS   4           HZ1      LYS   4  21.417   1.908  -4.050
   35    HZ2  LYS   4           HZ2      LYS   4  22.273   1.139  -5.291
   36    HZ3  LYS   4           HZ3      LYS   4  22.897   2.539  -4.575
   37    H    ASP   5           HN       ASP   5  29.737  -1.214  -2.756
   38    HA   ASP   5           HA       ASP   5  30.225  -3.377  -4.642
   39    HB2  ASP   5           HB2      ASP   5  32.481  -2.264  -4.919
   40    HB3  ASP   5           HB1      ASP   5  31.095  -1.284  -5.374
   41    H    GLY   6           HN       GLY   6  31.636  -2.201  -1.579
   42    HA2  GLY   6           HA2      GLY   6  32.349  -3.534   0.214
   43    HA3  GLY   6           HA1      GLY   6  32.261  -4.943  -0.825
   44    H    LYS   7           HN       LYS   7  33.997  -1.950  -1.521
   45    HA   LYS   7           HA       LYS   7  36.481  -3.485  -1.691
   46    HB2  LYS   7           HB2      LYS   7  35.527  -0.921  -2.925
   47    HB3  LYS   7           HB1      LYS   7  37.243  -1.272  -2.833
   48    HG2  LYS   7           HG2      LYS   7  36.888  -3.341  -4.094
   49    HG3  LYS   7           HG1      LYS   7  35.165  -2.970  -4.194
   50    HD2  LYS   7           HD2      LYS   7  35.681  -0.915  -5.420
   51    HD3  LYS   7           HD1      LYS   7  37.404  -1.286  -5.318
   52    HE2  LYS   7           HE2      LYS   7  37.032  -3.341  -6.597
   53    HE3  LYS   7           HE1      LYS   7  35.314  -2.966  -6.700
   54    HZ1  LYS   7           HZ1      LYS   7  37.518  -1.330  -7.837
   55    HZ2  LYS   7           HZ2      LYS   7  35.871  -0.953  -7.927
   56    HZ3  LYS   7           HZ3      LYS   7  36.468  -2.327  -8.716
   57    H    CYS   8           HN       CYS   8  35.355  -0.298  -0.517
   58    HA   CYS   8           HA       CYS   8  37.138  -0.530   1.780
   59    HB2  CYS   8           HB2      CYS   8  37.789   1.918   1.447
   60    HB3  CYS   8           HB1      CYS   8  38.557   0.745   0.379
   61    HA   PRO   9           HA       PRO   9  33.434   1.251   3.631
   62    HB2  PRO   9           HB2      PRO   9  34.776   1.554   6.173
   63    HB3  PRO   9           HB1      PRO   9  33.623   0.300   5.690
   64    HG2  PRO   9           HG2      PRO   9  36.252  -0.181   6.225
   65    HG3  PRO   9           HG1      PRO   9  35.251  -1.183   5.154
   66    HD2  PRO   9           HD2      PRO   9  37.232   0.940   4.438
   67    HD3  PRO   9           HD1      PRO   9  36.943  -0.642   3.685
   68    H    SER  10           HN       SER  10  35.127   3.088   2.223
   69    HA   SER  10           HA       SER  10  35.456   5.295   1.897
   70    HB2  SER  10           HB2      SER  10  33.639   5.664   4.294
   71    HB3  SER  10           HB1      SER  10  34.157   6.952   3.210
   72    HG   SER  10           HG       SER  10  32.357   4.864   2.773
   73    H    GLY  11           HN       GLY  11  37.534   5.660   2.153
   74    HA2  GLY  11           HA2      GLY  11  38.743   7.276   3.878
   75    HA3  GLY  11           HA1      GLY  11  38.731   5.790   4.814
   76    H    ARG  12           HN       ARG  12  39.071   4.110   2.412
   77    HA   ARG  12           HA       ARG  12  41.969   4.360   2.180
   78    HB2  ARG  12           HB2      ARG  12  40.031   2.176   1.416
   79    HB3  ARG  12           HB1      ARG  12  41.734   2.114   1.007
   80    HG2  ARG  12           HG2      ARG  12  41.686   0.863   2.921
   81    HG3  ARG  12           HG1      ARG  12  42.067   2.455   3.578
   82    HD2  ARG  12           HD2      ARG  12  39.689   2.789   4.097
   83    HD3  ARG  12           HD1      ARG  12  39.332   1.188   3.453
   84    HE   ARG  12           HE       ARG  12  41.229   0.761   5.379
   85   HH11  ARG  12          HH11      ARG  12  37.717   1.813   7.019
   86   HH12  ARG  12          HH12      ARG  12  38.044   2.239   5.372
   87   HH21  ARG  12          HH21      ARG  12  39.266   0.670   8.240
   88   HH22  ARG  12          HH22      ARG  12  40.780   0.217   7.533
   89    H    VAL  13           HN       VAL  13  43.030   4.925   0.377
   90    HA   VAL  13           HA       VAL  13  41.579   5.043  -2.175
   91    HB   VAL  13           HB       VAL  13  43.358   7.296  -1.180
   92   HG11  VAL  13          HG11      VAL  13  43.424   6.874  -3.641
   93   HG12  VAL  13          HG12      VAL  13  42.791   8.463  -3.205
   94   HG13  VAL  13          HG13      VAL  13  41.686   7.178  -3.693
   95   HG21  VAL  13          HG21      VAL  13  41.207   7.329  -0.030
   96   HG22  VAL  13          HG22      VAL  13  40.365   7.254  -1.578
   97   HG23  VAL  13          HG23      VAL  13  41.328   8.674  -1.166
   98    H    ARG  14           HN       ARG  14  42.625   3.930  -3.647
   99    HA   ARG  14           HA       ARG  14  45.544   3.932  -3.645
  100    HB2  ARG  14           HB2      ARG  14  43.771   1.523  -3.638
  101    HB3  ARG  14           HB1      ARG  14  45.321   1.460  -4.461
  102    HG2  ARG  14           HG2      ARG  14  45.235   2.465  -1.659
  103    HG3  ARG  14           HG1      ARG  14  45.090   0.735  -1.947
  104    HD2  ARG  14           HD2      ARG  14  47.320   2.402  -3.089
  105    HD3  ARG  14           HD1      ARG  14  47.426   1.606  -1.520
  106    HE   ARG  14           HE       ARG  14  46.680  -0.314  -3.404
  107   HH11  ARG  14          HH11      ARG  14  50.604   0.550  -3.384
  108   HH12  ARG  14          HH12      ARG  14  49.484   1.684  -2.704
  109   HH21  ARG  14          HH21      ARG  14  48.164  -1.781  -4.288
  110   HH22  ARG  14          HH22      ARG  14  49.854  -1.409  -4.280
  111    H    ARG  15           HN       ARG  15  46.160   2.586  -5.825
  112    HA   ARG  15           HA       ARG  15  45.104   4.265  -7.961
  113    HB2  ARG  15           HB2      ARG  15  47.630   2.655  -7.640
  114    HB3  ARG  15           HB1      ARG  15  47.153   3.305  -9.200
  115    HG2  ARG  15           HG2      ARG  15  47.184   5.567  -8.267
  116    HG3  ARG  15           HG1      ARG  15  47.669   4.910  -6.702
  117    HD2  ARG  15           HD2      ARG  15  49.661   5.656  -7.701
  118    HD3  ARG  15           HD1      ARG  15  49.664   3.906  -7.914
  119    HE   ARG  15           HE       ARG  15  48.507   5.010 -10.188
  120   HH11  ARG  15          HH11      ARG  15  52.514   5.285 -10.116
  121   HH12  ARG  15          HH12      ARG  15  51.654   5.052  -8.630
  122   HH21  ARG  15          HH21      ARG  15  49.654   5.317 -12.121
  123   HH22  ARG  15          HH22      ARG  15  51.383   5.434 -12.089
  124    H    LEU  16           HN       LEU  16  45.264   3.104 -10.228
  125    HA   LEU  16           HA       LEU  16  44.500   1.601 -11.734
  126    HB2  LEU  16           HB2      LEU  16  44.610  -0.342  -9.429
  127    HB3  LEU  16           HB1      LEU  16  44.128  -0.798 -11.051
  128    HG   LEU  16           HG       LEU  16  46.489   0.310 -11.641
  129   HD11  LEU  16          HD11      LEU  16  46.839  -0.739  -8.835
  130   HD12  LEU  16          HD12      LEU  16  47.024   0.937  -9.356
  131   HD13  LEU  16          HD13      LEU  16  48.144  -0.296  -9.936
  132   HD21  LEU  16          HD21      LEU  16  46.067  -2.484 -10.590
  133   HD22  LEU  16          HD22      LEU  16  47.435  -1.958 -11.571
  134   HD23  LEU  16          HD23      LEU  16  45.806  -1.933 -12.245
  135    H    GLY  17           HN       GLY  17  42.773   2.363  -8.906
  136    HA2  GLY  17           HA2      GLY  17  40.451   3.112  -9.341
  137    HA3  GLY  17           HA1      GLY  17  40.234   1.622 -10.246
  138    H    ILE  18           HN       ILE  18  42.006   0.443  -7.930
  139    HA   ILE  18           HA       ILE  18  39.704  -0.234  -6.253
  140    HB   ILE  18           HB       ILE  18  41.189  -2.048  -5.313
  141   HG12  ILE  18          HG12      ILE  18  42.933  -1.901  -7.729
  142   HG13  ILE  18          HG11      ILE  18  43.297  -0.779  -6.422
  143   HG21  ILE  18          HG21      ILE  18  40.884  -3.522  -7.270
  144   HG22  ILE  18          HG22      ILE  18  40.582  -2.101  -8.273
  145   HG23  ILE  18          HG23      ILE  18  39.468  -2.510  -6.967
  146   HD11  ILE  18          HD11      ILE  18  43.164  -3.776  -6.196
  147   HD12  ILE  18          HD12      ILE  18  43.509  -2.661  -4.875
  148   HD13  ILE  18          HD13      ILE  18  44.627  -2.793  -6.233
  149    H    CYS  19           HN       CYS  19  39.638   0.027  -4.068
  150    HA   CYS  19           HA       CYS  19  41.714   1.750  -2.899
  151    HB2  CYS  19           HB2      CYS  19  39.876   2.386  -1.266
  152    HB3  CYS  19           HB1      CYS  19  39.703   2.966  -2.915
  153    H    VAL  20           HN       VAL  20  42.912   0.952  -1.369
  154    HA   VAL  20           HA       VAL  20  41.872  -0.918   0.582
  155    HB   VAL  20           HB       VAL  20  43.912  -2.480   0.273
  156   HG11  VAL  20          HG11      VAL  20  41.634  -2.545  -1.710
  157   HG12  VAL  20          HG12      VAL  20  41.606  -3.186  -0.068
  158   HG13  VAL  20          HG13      VAL  20  42.660  -3.915  -1.281
  159   HG21  VAL  20          HG21      VAL  20  43.849  -1.136  -2.429
  160   HG22  VAL  20          HG22      VAL  20  44.480  -2.767  -2.210
  161   HG23  VAL  20          HG23      VAL  20  45.236  -1.411  -1.371
  162    HA   PRO  21           HA       PRO  21  44.806   1.190   3.201
  163    HB2  PRO  21           HB2      PRO  21  45.351  -1.169   4.827
  164    HB3  PRO  21           HB1      PRO  21  44.401   0.268   5.242
  165    HG2  PRO  21           HG2      PRO  21  43.284  -2.159   4.900
  166    HG3  PRO  21           HG1      PRO  21  42.439  -0.644   4.529
  167    HD2  PRO  21           HD2      PRO  21  43.796  -2.551   2.662
  168    HD3  PRO  21           HD1      PRO  21  42.246  -1.703   2.483
  169    H    ASP  22           HN       ASP  22  46.976   1.528   3.590
  170    HA   ASP  22           HA       ASP  22  48.864  -0.489   2.578
  171    HB2  ASP  22           HB2      ASP  22  48.349   1.559   1.030
  172    HB3  ASP  22           HB1      ASP  22  49.386   2.438   2.149
  173    H    ASP  23           HN       ASP  23  48.677   2.589   4.407
  174    HA   ASP  23           HA       ASP  23  50.918   1.691   6.074
  175    HB2  ASP  23           HB2      ASP  23  49.719   4.421   5.607
  176    HB3  ASP  23           HB1      ASP  23  50.914   4.104   6.860
  177    H    ASP  24           HN       ASP  24  47.532   1.987   6.147
  178    HA   ASP  24           HA       ASP  24  47.327   2.383   9.012
  179    HB2  ASP  24           HB2      ASP  24  45.319   2.055   6.793
  180    HB3  ASP  24           HB1      ASP  24  44.838   2.033   8.482
  181    H    TYR  25           HN       TYR  25  46.589  -0.199   6.663
  182    HA   TYR  25           HA       TYR  25  46.867  -2.167   8.822
  183    HB2  TYR  25           HB2      TYR  25  44.587  -2.029   6.841
  184    HB3  TYR  25           HB1      TYR  25  44.963  -3.471   7.777
  185    HD1  TYR  25           HD1      TYR  25  43.634  -0.062   7.901
  186    HD2  TYR  25           HD2      TYR  25  44.528  -3.549  10.167
  187    HE1  TYR  25           HE1      TYR  25  42.267   0.800   9.756
  188    HE2  TYR  25           HE2      TYR  25  43.164  -2.698  12.028
  189    HH   TYR  25           HH       TYR  25  41.041  -0.075  11.700
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  36.432  17.697  -2.282
    2    H2   PHE   1           HT2      PHE   1  35.870  18.104  -0.740
    3    H3   PHE   1           HT3      PHE   1  34.931  17.126  -1.750
    4    HA   PHE   1           HA       PHE   1  36.562  15.377  -1.660
    5    HB2  PHE   1           HB2      PHE   1  38.017  17.331   0.132
    6    HB3  PHE   1           HB1      PHE   1  38.413  15.618   0.048
    7    HD1  PHE   1           HD1      PHE   1  38.537  18.827  -1.695
    8    HD2  PHE   1           HD2      PHE   1  39.493  14.685  -1.906
    9    HE1  PHE   1           HE1      PHE   1  40.019  19.270  -3.607
   10    HE2  PHE   1           HE2      PHE   1  40.978  15.122  -3.819
   11    HZ   PHE   1           HZ       PHE   1  41.243  17.417  -4.672
   12    H    GLY   2           HN       GLY   2  36.128  13.729  -0.266
   13    HA2  GLY   2           HA2      GLY   2  35.721  13.441   2.313
   14    HA3  GLY   2           HA1      GLY   2  34.270  14.349   1.912
   15    H    VAL   3           HN       VAL   3  32.525  13.222   1.400
   16    HA   VAL   3           HA       VAL   3  32.776  10.616   0.115
   17    HB   VAL   3           HB       VAL   3  30.988   9.681   1.692
   18   HG11  VAL   3          HG11      VAL   3  33.772  10.170   2.737
   19   HG12  VAL   3          HG12      VAL   3  33.266   8.865   1.665
   20   HG13  VAL   3          HG13      VAL   3  32.664   8.929   3.321
   21   HG21  VAL   3          HG21      VAL   3  30.361  11.746   2.843
   22   HG22  VAL   3          HG22      VAL   3  31.996  11.897   3.487
   23   HG23  VAL   3          HG23      VAL   3  30.972  10.552   3.990
   24    H    LYS   4           HN       LYS   4  31.620  10.768  -1.652
   25    HA   LYS   4           HA       LYS   4  29.177  12.389  -1.662
   26    HB2  LYS   4           HB2      LYS   4  29.349  12.227  -4.170
   27    HB3  LYS   4           HB1      LYS   4  30.655  13.097  -3.388
   28    HG2  LYS   4           HG2      LYS   4  31.054  10.205  -3.990
   29    HG3  LYS   4           HG1      LYS   4  31.109  11.359  -5.322
   30    HD2  LYS   4           HD2      LYS   4  32.848  12.626  -4.146
   31    HD3  LYS   4           HD1      LYS   4  32.789  11.471  -2.815
   32    HE2  LYS   4           HE2      LYS   4  33.485   9.685  -4.336
   33    HE3  LYS   4           HE1      LYS   4  33.534  10.837  -5.669
   34    HZ1  LYS   4           HZ1      LYS   4  35.734  10.444  -4.760
   35    HZ2  LYS   4           HZ2      LYS   4  35.223  10.945  -3.228
   36    HZ3  LYS   4           HZ3      LYS   4  35.271  12.051  -4.506
   37    H    ASP   5           HN       ASP   5  30.361   9.182  -2.624
   38    HA   ASP   5           HA       ASP   5  27.589   8.196  -2.483
   39    HB2  ASP   5           HB2      ASP   5  28.701   8.416  -4.848
   40    HB3  ASP   5           HB1      ASP   5  29.569   6.960  -4.374
   41    H    GLY   6           HN       GLY   6  31.039   7.342  -2.288
   42    HA2  GLY   6           HA2      GLY   6  31.977   6.140  -0.465
   43    HA3  GLY   6           HA1      GLY   6  30.398   5.437  -0.149
   44    H    LYS   7           HN       LYS   7  33.302   5.259  -2.062
   45    HA   LYS   7           HA       LYS   7  32.404   2.767  -3.322
   46    HB2  LYS   7           HB2      LYS   7  33.527   4.792  -4.566
   47    HB3  LYS   7           HB1      LYS   7  35.018   4.094  -3.952
   48    HG2  LYS   7           HG2      LYS   7  34.520   1.996  -5.091
   49    HG3  LYS   7           HG1      LYS   7  33.005   2.676  -5.690
   50    HD2  LYS   7           HD2      LYS   7  34.264   4.392  -6.906
   51    HD3  LYS   7           HD1      LYS   7  35.775   3.708  -6.308
   52    HE2  LYS   7           HE2      LYS   7  35.274   1.603  -7.452
   53    HE3  LYS   7           HE1      LYS   7  33.761   2.288  -8.049
   54    HZ1  LYS   7           HZ1      LYS   7  35.033   3.947  -9.261
   55    HZ2  LYS   7           HZ2      LYS   7  35.494   2.387  -9.724
   56    HZ3  LYS   7           HZ3      LYS   7  36.484   3.288  -8.690
   57    H    CYS   8           HN       CYS   8  35.144   4.092  -1.460
   58    HA   CYS   8           HA       CYS   8  36.128   1.410  -0.916
   59    HB2  CYS   8           HB2      CYS   8  37.271   4.143  -0.312
   60    HB3  CYS   8           HB1      CYS   8  38.065   2.621   0.052
   61    HA   PRO   9           HA       PRO   9  34.528   1.019   3.228
   62    HB2  PRO   9           HB2      PRO   9  37.270   0.531   4.282
   63    HB3  PRO   9           HB1      PRO   9  35.823  -0.490   4.381
   64    HG2  PRO   9           HG2      PRO   9  37.795  -1.133   2.755
   65    HG3  PRO   9           HG1      PRO   9  36.102  -1.340   2.257
   66    HD2  PRO   9           HD2      PRO   9  38.041   0.807   1.496
   67    HD3  PRO   9           HD1      PRO   9  36.859  -0.055   0.492
   68    H    SER  10           HN       SER  10  33.943   3.193   3.499
   69    HA   SER  10           HA       SER  10  33.669   5.081   4.701
   70    HB2  SER  10           HB2      SER  10  35.942   4.056   6.417
   71    HB3  SER  10           HB1      SER  10  34.929   5.446   6.804
   72    HG   SER  10           HG       SER  10  34.366   2.745   6.949
   73    H    GLY  11           HN       GLY  11  37.157   4.493   4.223
   74    HA2  GLY  11           HA2      GLY  11  37.515   6.734   2.551
   75    HA3  GLY  11           HA1      GLY  11  37.968   7.177   4.190
   76    H    ARG  12           HN       ARG  12  38.631   4.974   1.539
   77    HA   ARG  12           HA       ARG  12  41.307   4.454   2.649
   78    HB2  ARG  12           HB2      ARG  12  39.385   2.634   1.932
   79    HB3  ARG  12           HB1      ARG  12  40.347   2.727   0.464
   80    HG2  ARG  12           HG2      ARG  12  41.471   1.063   1.509
   81    HG3  ARG  12           HG1      ARG  12  42.326   2.434   2.215
   82    HD2  ARG  12           HD2      ARG  12  40.831   2.343   4.164
   83    HD3  ARG  12           HD1      ARG  12  40.014   0.950   3.458
   84    HE   ARG  12           HE       ARG  12  42.806   0.489   3.682
   85   HH11  ARG  12          HH11      ARG  12  40.492  -0.541   6.800
   86   HH12  ARG  12          HH12      ARG  12  39.876   0.563   5.616
   87   HH21  ARG  12          HH21      ARG  12  42.595  -1.400   6.588
   88   HH22  ARG  12          HH22      ARG  12  43.591  -0.955   5.243
   89    H    VAL  13           HN       VAL  13  42.970   3.993   0.851
   90    HA   VAL  13           HA       VAL  13  42.869   6.201  -1.041
   91    HB   VAL  13           HB       VAL  13  44.882   5.842   0.395
   92   HG11  VAL  13          HG11      VAL  13  45.330   3.387  -1.297
   93   HG12  VAL  13          HG12      VAL  13  45.030   3.436   0.440
   94   HG13  VAL  13          HG13      VAL  13  46.523   4.107  -0.214
   95   HG21  VAL  13          HG21      VAL  13  45.082   7.167  -1.616
   96   HG22  VAL  13          HG22      VAL  13  45.380   5.717  -2.574
   97   HG23  VAL  13          HG23      VAL  13  46.555   6.228  -1.364
   98    H    ARG  14           HN       ARG  14  42.697   6.013  -3.207
   99    HA   ARG  14           HA       ARG  14  42.178   3.338  -4.278
  100    HB2  ARG  14           HB2      ARG  14  40.549   5.350  -4.484
  101    HB3  ARG  14           HB1      ARG  14  41.632   5.894  -5.757
  102    HG2  ARG  14           HG2      ARG  14  41.209   3.931  -7.054
  103    HG3  ARG  14           HG1      ARG  14  40.317   3.184  -5.728
  104    HD2  ARG  14           HD2      ARG  14  38.702   3.981  -7.257
  105    HD3  ARG  14           HD1      ARG  14  38.690   5.097  -5.894
  106    HE   ARG  14           HE       ARG  14  40.425   5.971  -7.988
  107   HH11  ARG  14          HH11      ARG  14  36.637   7.306  -7.951
  108   HH12  ARG  14          HH12      ARG  14  37.053   5.912  -7.010
  109   HH21  ARG  14          HH21      ARG  14  39.857   7.794  -9.211
  110   HH22  ARG  14          HH22      ARG  14  38.224   8.369  -9.195
  111    H    ARG  15           HN       ARG  15  43.250   2.477  -5.939
  112    HA   ARG  15           HA       ARG  15  45.235   3.918  -7.467
  113    HB2  ARG  15           HB2      ARG  15  46.000   1.808  -5.452
  114    HB3  ARG  15           HB1      ARG  15  46.980   2.088  -6.883
  115    HG2  ARG  15           HG2      ARG  15  47.292   4.424  -6.202
  116    HG3  ARG  15           HG1      ARG  15  46.330   4.118  -4.754
  117    HD2  ARG  15           HD2      ARG  15  48.569   3.955  -4.054
  118    HD3  ARG  15           HD1      ARG  15  48.009   2.290  -4.209
  119    HE   ARG  15           HE       ARG  15  49.157   2.946  -6.634
  120   HH11  ARG  15          HH11      ARG  15  51.887   2.313  -3.757
  121   HH12  ARG  15          HH12      ARG  15  50.264   2.717  -3.308
  122   HH21  ARG  15          HH21      ARG  15  51.287   2.416  -7.196
  123   HH22  ARG  15          HH22      ARG  15  52.465   2.142  -5.957
  124    H    LEU  16           HN       LEU  16  45.063   3.202  -9.503
  125    HA   LEU  16           HA       LEU  16  44.656   1.946 -11.338
  126    HB2  LEU  16           HB2      LEU  16  45.289  -0.317  -9.451
  127    HB3  LEU  16           HB1      LEU  16  44.955  -0.567 -11.153
  128    HG   LEU  16           HG       LEU  16  46.898   1.172 -11.490
  129   HD11  LEU  16          HD11      LEU  16  47.211   1.755  -9.166
  130   HD12  LEU  16          HD12      LEU  16  48.645   0.926  -9.769
  131   HD13  LEU  16          HD13      LEU  16  47.491   0.066  -8.747
  132   HD21  LEU  16          HD21      LEU  16  46.933  -1.125 -12.278
  133   HD22  LEU  16          HD22      LEU  16  47.365  -1.689 -10.664
  134   HD23  LEU  16          HD23      LEU  16  48.491  -0.686 -11.579
  135    H    GLY  17           HN       GLY  17  42.520   2.241  -8.985
  136    HA2  GLY  17           HA2      GLY  17  40.170   2.210  -9.486
  137    HA3  GLY  17           HA1      GLY  17  40.439   0.785 -10.475
  138    H    ILE  18           HN       ILE  18  42.146   0.600  -7.556
  139    HA   ILE  18           HA       ILE  18  39.938  -0.640  -6.095
  140    HB   ILE  18           HB       ILE  18  41.435  -2.613  -5.487
  141   HG12  ILE  18          HG12      ILE  18  42.889  -3.144  -7.691
  142   HG13  ILE  18          HG11      ILE  18  43.058  -1.395  -7.664
  143   HG21  ILE  18          HG21      ILE  18  40.732  -3.898  -7.465
  144   HG22  ILE  18          HG22      ILE  18  40.382  -2.389  -8.306
  145   HG23  ILE  18          HG23      ILE  18  39.453  -2.834  -6.875
  146   HD11  ILE  18          HD11      ILE  18  43.950  -1.518  -5.396
  147   HD12  ILE  18          HD12      ILE  18  44.906  -2.474  -6.527
  148   HD13  ILE  18          HD13      ILE  18  43.781  -3.273  -5.429
  149    H    CYS  19           HN       CYS  19  40.040  -0.463  -3.941
  150    HA   CYS  19           HA       CYS  19  42.149   1.206  -2.829
  151    HB2  CYS  19           HB2      CYS  19  39.354   0.569  -2.133
  152    HB3  CYS  19           HB1      CYS  19  40.431   0.769  -0.757
  153    H    VAL  20           HN       VAL  20  43.606   0.603  -1.341
  154    HA   VAL  20           HA       VAL  20  43.396  -2.013  -0.061
  155    HB   VAL  20           HB       VAL  20  45.879  -2.428  -0.549
  156   HG11  VAL  20          HG11      VAL  20  45.376  -3.535  -2.690
  157   HG12  VAL  20          HG12      VAL  20  43.878  -2.611  -2.807
  158   HG13  VAL  20          HG13      VAL  20  44.091  -3.779  -1.503
  159   HG21  VAL  20          HG21      VAL  20  46.459  -0.228  -1.477
  160   HG22  VAL  20          HG22      VAL  20  45.324  -0.480  -2.805
  161   HG23  VAL  20          HG23      VAL  20  46.754  -1.503  -2.661
  162    HA   PRO  21           HA       PRO  21  45.103   0.123   3.473
  163    HB2  PRO  21           HB2      PRO  21  46.740  -2.172   4.277
  164    HB3  PRO  21           HB1      PRO  21  45.295  -1.506   5.057
  165    HG2  PRO  21           HG2      PRO  21  45.274  -3.891   3.839
  166    HG3  PRO  21           HG1      PRO  21  43.861  -2.816   3.852
  167    HD2  PRO  21           HD2      PRO  21  45.864  -3.265   1.670
  168    HD3  PRO  21           HD1      PRO  21  44.095  -3.140   1.572
  169    H    ASP  22           HN       ASP  22  46.832   1.324   4.132
  170    HA   ASP  22           HA       ASP  22  49.254   1.152   2.488
  171    HB2  ASP  22           HB2      ASP  22  47.778   3.294   2.829
  172    HB3  ASP  22           HB1      ASP  22  48.663   3.431   4.346
  173    H    ASP  23           HN       ASP  23  48.161   0.369   5.597
  174    HA   ASP  23           HA       ASP  23  50.754   0.698   6.892
  175    HB2  ASP  23           HB2      ASP  23  48.055  -0.193   7.912
  176    HB3  ASP  23           HB1      ASP  23  49.510  -0.236   8.901
  177    H    ASP  24           HN       ASP  24  48.585  -1.881   5.815
  178    HA   ASP  24           HA       ASP  24  50.408  -3.953   6.723
  179    HB2  ASP  24           HB2      ASP  24  47.663  -3.965   5.493
  180    HB3  ASP  24           HB1      ASP  24  48.603  -5.442   5.652
  181    H    TYR  25           HN       TYR  25  49.166  -2.630   3.675
  182    HA   TYR  25           HA       TYR  25  51.178  -4.211   2.216
  183    HB2  TYR  25           HB2      TYR  25  48.508  -3.121   1.323
  184    HB3  TYR  25           HB1      TYR  25  49.713  -3.728   0.194
  185    HD1  TYR  25           HD1      TYR  25  50.155  -6.093   0.001
  186    HD2  TYR  25           HD2      TYR  25  47.343  -4.645   2.845
  187    HE1  TYR  25           HE1      TYR  25  49.304  -8.380   0.316
  188    HE2  TYR  25           HE2      TYR  25  46.484  -6.927   3.168
  189    HH   TYR  25           HH       TYR  25  48.102  -9.678   2.022
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  27.734  14.333   3.530
    2    H2   PHE   1           HT2      PHE   1  27.797  14.808   5.151
    3    H3   PHE   1           HT3      PHE   1  26.306  14.705   4.360
    4    HA   PHE   1           HA       PHE   1  28.118  12.433   4.934
    5    HB2  PHE   1           HB2      PHE   1  25.547  13.350   6.232
    6    HB3  PHE   1           HB1      PHE   1  26.203  11.730   6.445
    7    HD1  PHE   1           HD1      PHE   1  26.622  15.275   7.233
    8    HD2  PHE   1           HD2      PHE   1  28.191  11.354   7.765
    9    HE1  PHE   1           HE1      PHE   1  28.025  16.091   9.082
   10    HE2  PHE   1           HE2      PHE   1  29.597  12.164   9.615
   11    HZ   PHE   1           HZ       PHE   1  29.514  14.534  10.275
   12    H    GLY   2           HN       GLY   2  27.370  10.402   4.301
   13    HA2  GLY   2           HA2      GLY   2  25.032   9.564   3.237
   14    HA3  GLY   2           HA1      GLY   2  25.764  10.425   1.892
   15    H    VAL   3           HN       VAL   3  26.146   8.713   0.563
   16    HA   VAL   3           HA       VAL   3  28.133   6.752   1.507
   17    HB   VAL   3           HB       VAL   3  25.995   6.055  -0.525
   18   HG11  VAL   3          HG11      VAL   3  28.006   4.674  -0.609
   19   HG12  VAL   3          HG12      VAL   3  26.630   3.741  -0.019
   20   HG13  VAL   3          HG13      VAL   3  27.850   4.322   1.113
   21   HG21  VAL   3          HG21      VAL   3  24.863   6.536   1.583
   22   HG22  VAL   3          HG22      VAL   3  25.956   5.443   2.433
   23   HG23  VAL   3          HG23      VAL   3  24.829   4.807   1.234
   24    H    LYS   4           HN       LYS   4  29.948   7.435   0.579
   25    HA   LYS   4           HA       LYS   4  29.938   8.338  -2.203
   26    HB2  LYS   4           HB2      LYS   4  31.857   8.642   0.085
   27    HB3  LYS   4           HB1      LYS   4  32.397   8.888  -1.565
   28    HG2  LYS   4           HG2      LYS   4  30.714  10.637  -1.858
   29    HG3  LYS   4           HG1      LYS   4  30.171  10.385  -0.198
   30    HD2  LYS   4           HD2      LYS   4  32.391  11.019   0.621
   31    HD3  LYS   4           HD1      LYS   4  32.931  11.270  -1.041
   32    HE2  LYS   4           HE2      LYS   4  31.250  13.027  -1.319
   33    HE3  LYS   4           HE1      LYS   4  30.710  12.774   0.340
   34    HZ1  LYS   4           HZ1      LYS   4  32.904  13.433   1.115
   35    HZ2  LYS   4           HZ2      LYS   4  32.207  14.659   0.179
   36    HZ3  LYS   4           HZ3      LYS   4  33.419  13.679  -0.478
   37    H    ASP   5           HN       ASP   5  31.569   6.013  -0.062
   38    HA   ASP   5           HA       ASP   5  32.660   4.619  -2.395
   39    HB2  ASP   5           HB2      ASP   5  33.380   4.660   0.525
   40    HB3  ASP   5           HB1      ASP   5  33.942   3.375  -0.532
   41    H    GLY   6           HN       GLY   6  31.845   2.736  -3.031
   42    HA2  GLY   6           HA2      GLY   6  29.711   1.509  -1.446
   43    HA3  GLY   6           HA1      GLY   6  30.044   1.208  -3.145
   44    H    LYS   7           HN       LYS   7  32.859   0.699  -2.835
   45    HA   LYS   7           HA       LYS   7  32.696  -2.016  -1.763
   46    HB2  LYS   7           HB2      LYS   7  33.610  -1.256  -4.129
   47    HB3  LYS   7           HB1      LYS   7  35.096  -1.003  -3.226
   48    HG2  LYS   7           HG2      LYS   7  35.055  -3.340  -2.502
   49    HG3  LYS   7           HG1      LYS   7  33.566  -3.592  -3.417
   50    HD2  LYS   7           HD2      LYS   7  34.743  -3.028  -5.487
   51    HD3  LYS   7           HD1      LYS   7  36.229  -2.761  -4.574
   52    HE2  LYS   7           HE2      LYS   7  36.416  -4.927  -5.489
   53    HE3  LYS   7           HE1      LYS   7  36.017  -5.157  -3.787
   54    HZ1  LYS   7           HZ1      LYS   7  33.710  -5.526  -4.419
   55    HZ2  LYS   7           HZ2      LYS   7  34.728  -6.629  -5.199
   56    HZ3  LYS   7           HZ3      LYS   7  34.098  -5.310  -6.051
   57    H    CYS   8           HN       CYS   8  34.745   0.892  -1.510
   58    HA   CYS   8           HA       CYS   8  36.275  -0.255   0.662
   59    HB2  CYS   8           HB2      CYS   8  36.525   2.594  -0.234
   60    HB3  CYS   8           HB1      CYS   8  37.765   1.504   0.357
   61    HA   PRO   9           HA       PRO   9  33.887   1.771   3.879
   62    HB2  PRO   9           HB2      PRO   9  36.181   2.113   5.627
   63    HB3  PRO   9           HB1      PRO   9  34.899   0.894   5.719
   64    HG2  PRO   9           HG2      PRO   9  37.473   0.291   5.130
   65    HG3  PRO   9           HG1      PRO   9  36.087  -0.648   4.542
   66    HD2  PRO   9           HD2      PRO   9  37.682   1.442   3.113
   67    HD3  PRO   9           HD1      PRO   9  37.110  -0.133   2.527
   68    H    SER  10           HN       SER  10  35.136   3.575   1.868
   69    HA   SER  10           HA       SER  10  35.222   5.789   1.410
   70    HB2  SER  10           HB2      SER  10  34.374   6.210   4.285
   71    HB3  SER  10           HB1      SER  10  34.461   7.474   3.060
   72    HG   SER  10           HG       SER  10  32.844   6.445   1.914
   73    H    GLY  11           HN       GLY  11  36.763   5.015   4.526
   74    HA2  GLY  11           HA2      GLY  11  38.805   7.052   4.095
   75    HA3  GLY  11           HA1      GLY  11  38.635   6.030   5.513
   76    H    ARG  12           HN       ARG  12  39.085   5.426   2.032
   77    HA   ARG  12           HA       ARG  12  41.511   3.883   2.652
   78    HB2  ARG  12           HB2      ARG  12  39.194   2.653   2.025
   79    HB3  ARG  12           HB1      ARG  12  39.814   2.936   0.407
   80    HG2  ARG  12           HG2      ARG  12  41.763   1.661   0.837
   81    HG3  ARG  12           HG1      ARG  12  41.405   1.578   2.562
   82    HD2  ARG  12           HD2      ARG  12  39.387   0.269   2.059
   83    HD3  ARG  12           HD1      ARG  12  39.791   0.326   0.344
   84    HE   ARG  12           HE       ARG  12  42.006  -0.744   1.498
   85   HH11  ARG  12          HH11      ARG  12  38.931  -3.312   1.788
   86   HH12  ARG  12          HH12      ARG  12  38.607  -1.624   1.573
   87   HH21  ARG  12          HH21      ARG  12  41.080  -4.066   1.907
   88   HH22  ARG  12          HH22      ARG  12  42.406  -2.958   1.782
   89    H    VAL  13           HN       VAL  13  42.998   3.657   0.856
   90    HA   VAL  13           HA       VAL  13  43.018   6.032  -0.830
   91    HB   VAL  13           HB       VAL  13  45.031   5.413   0.515
   92   HG11  VAL  13          HG11      VAL  13  46.535   3.642  -0.265
   93   HG12  VAL  13          HG12      VAL  13  45.309   3.115  -1.416
   94   HG13  VAL  13          HG13      VAL  13  44.998   3.000   0.316
   95   HG21  VAL  13          HG21      VAL  13  45.458   5.530  -2.467
   96   HG22  VAL  13          HG22      VAL  13  46.687   5.859  -1.245
   97   HG23  VAL  13          HG23      VAL  13  45.270   6.903  -1.374
   98    H    ARG  14           HN       ARG  14  42.803   6.050  -2.999
   99    HA   ARG  14           HA       ARG  14  42.007   3.547  -4.290
  100    HB2  ARG  14           HB2      ARG  14  41.609   6.441  -5.036
  101    HB3  ARG  14           HB1      ARG  14  41.226   5.122  -6.130
  102    HG2  ARG  14           HG2      ARG  14  40.047   5.106  -3.393
  103    HG3  ARG  14           HG1      ARG  14  39.378   6.195  -4.608
  104    HD2  ARG  14           HD2      ARG  14  39.755   3.244  -5.079
  105    HD3  ARG  14           HD1      ARG  14  38.277   3.922  -4.403
  106    HE   ARG  14           HE       ARG  14  38.988   5.219  -6.831
  107   HH11  ARG  14          HH11      ARG  14  36.598   1.999  -7.063
  108   HH12  ARG  14          HH12      ARG  14  37.521   2.265  -5.622
  109   HH21  ARG  14          HH21      ARG  14  37.771   4.849  -8.708
  110   HH22  ARG  14          HH22      ARG  14  36.740   3.461  -8.808
  111    H    ARG  15           HN       ARG  15  43.255   2.526  -5.671
  112    HA   ARG  15           HA       ARG  15  45.283   3.960  -7.213
  113    HB2  ARG  15           HB2      ARG  15  45.835   1.614  -5.390
  114    HB3  ARG  15           HB1      ARG  15  46.907   2.047  -6.713
  115    HG2  ARG  15           HG2      ARG  15  46.174   4.141  -4.725
  116    HG3  ARG  15           HG1      ARG  15  47.347   2.905  -4.270
  117    HD2  ARG  15           HD2      ARG  15  48.701   3.486  -6.238
  118    HD3  ARG  15           HD1      ARG  15  47.535   4.740  -6.659
  119    HE   ARG  15           HE       ARG  15  48.304   5.309  -4.087
  120   HH11  ARG  15          HH11      ARG  15  51.237   6.101  -6.717
  121   HH12  ARG  15          HH12      ARG  15  49.990   4.981  -7.151
  122   HH21  ARG  15          HH21      ARG  15  49.947   6.772  -3.539
  123   HH22  ARG  15          HH22      ARG  15  51.212   7.114  -4.672
  124    H    LEU  16           HN       LEU  16  44.969   3.462  -9.289
  125    HA   LEU  16           HA       LEU  16  44.402   2.421 -11.217
  126    HB2  LEU  16           HB2      LEU  16  45.306  -0.027  -9.689
  127    HB3  LEU  16           HB1      LEU  16  44.934  -0.033 -11.396
  128    HG   LEU  16           HG       LEU  16  47.282   0.035 -11.253
  129   HD11  LEU  16          HD11      LEU  16  46.276   1.669 -12.855
  130   HD12  LEU  16          HD12      LEU  16  47.927   2.030 -12.354
  131   HD13  LEU  16          HD13      LEU  16  46.579   2.929 -11.657
  132   HD21  LEU  16          HD21      LEU  16  47.516   0.622  -8.916
  133   HD22  LEU  16          HD22      LEU  16  47.039   2.284  -9.264
  134   HD23  LEU  16          HD23      LEU  16  48.547   1.645  -9.914
  135    H    GLY  17           HN       GLY  17  42.326   2.714  -9.109
  136    HA2  GLY  17           HA2      GLY  17  39.993   2.437  -9.477
  137    HA3  GLY  17           HA1      GLY  17  40.332   0.952 -10.349
  138    H    ILE  18           HN       ILE  18  42.138  -0.033  -8.221
  139    HA   ILE  18           HA       ILE  18  40.054  -0.914  -6.345
  140    HB   ILE  18           HB       ILE  18  41.657  -2.780  -5.753
  141   HG12  ILE  18          HG12      ILE  18  43.029  -2.442  -8.385
  142   HG13  ILE  18          HG11      ILE  18  43.586  -1.421  -7.063
  143   HG21  ILE  18          HG21      ILE  18  40.628  -2.632  -8.590
  144   HG22  ILE  18          HG22      ILE  18  39.711  -3.132  -7.169
  145   HG23  ILE  18          HG23      ILE  18  41.062  -4.116  -7.739
  146   HD11  ILE  18          HD11      ILE  18  44.915  -3.443  -7.238
  147   HD12  ILE  18          HD12      ILE  18  43.466  -4.428  -7.038
  148   HD13  ILE  18          HD13      ILE  18  44.026  -3.405  -5.714
  149    H    CYS  19           HN       CYS  19  40.135  -0.459  -4.241
  150    HA   CYS  19           HA       CYS  19  42.281   1.257  -3.285
  151    HB2  CYS  19           HB2      CYS  19  40.813   1.615  -1.327
  152    HB3  CYS  19           HB1      CYS  19  40.007   1.976  -2.848
  153    H    VAL  20           HN       VAL  20  43.656   0.821  -1.649
  154    HA   VAL  20           HA       VAL  20  43.527  -1.836  -0.402
  155    HB   VAL  20           HB       VAL  20  46.095  -1.851  -0.475
  156   HG11  VAL  20          HG11      VAL  20  46.108  -2.901  -2.703
  157   HG12  VAL  20          HG12      VAL  20  44.523  -2.203  -3.033
  158   HG13  VAL  20          HG13      VAL  20  44.708  -3.398  -1.748
  159   HG21  VAL  20          HG21      VAL  20  46.457   0.461  -1.229
  160   HG22  VAL  20          HG22      VAL  20  45.606   0.112  -2.733
  161   HG23  VAL  20          HG23      VAL  20  47.136  -0.691  -2.382
  162    HA   PRO  21           HA       PRO  21  44.325   0.309   3.435
  163    HB2  PRO  21           HB2      PRO  21  46.004  -1.820   4.509
  164    HB3  PRO  21           HB1      PRO  21  44.342  -1.392   4.947
  165    HG2  PRO  21           HG2      PRO  21  44.959  -3.687   3.683
  166    HG3  PRO  21           HG1      PRO  21  43.417  -2.839   3.449
  167    HD2  PRO  21           HD2      PRO  21  45.846  -2.843   1.699
  168    HD3  PRO  21           HD1      PRO  21  44.133  -2.963   1.252
  169    H    ASP  22           HN       ASP  22  45.838   1.472   4.643
  170    HA   ASP  22           HA       ASP  22  48.512   1.654   3.429
  171    HB2  ASP  22           HB2      ASP  22  46.847   3.709   4.884
  172    HB3  ASP  22           HB1      ASP  22  48.543   3.957   4.487
  173    H    ASP  23           HN       ASP  23  46.835   1.629   6.565
  174    HA   ASP  23           HA       ASP  23  49.352   1.494   8.016
  175    HB2  ASP  23           HB2      ASP  23  47.159   2.774   8.689
  176    HB3  ASP  23           HB1      ASP  23  46.674   1.206   9.327
  177    H    ASP  24           HN       ASP  24  46.760  -0.642   7.022
  178    HA   ASP  24           HA       ASP  24  47.607  -2.812   8.740
  179    HB2  ASP  24           HB2      ASP  24  45.440  -2.495   6.677
  180    HB3  ASP  24           HB1      ASP  24  45.818  -4.057   7.383
  181    H    TYR  25           HN       TYR  25  47.766  -1.975   5.301
  182    HA   TYR  25           HA       TYR  25  49.694  -4.169   4.922
  183    HB2  TYR  25           HB2      TYR  25  47.328  -4.397   3.826
  184    HB3  TYR  25           HB1      TYR  25  47.943  -3.220   2.673
  185    HD1  TYR  25           HD1      TYR  25  49.685  -3.820   1.089
  186    HD2  TYR  25           HD2      TYR  25  48.240  -6.656   3.913
  187    HE1  TYR  25           HE1      TYR  25  50.766  -5.628  -0.179
  188    HE2  TYR  25           HE2      TYR  25  49.318  -8.471   2.653
  189    HH   TYR  25           HH       TYR  25  50.102  -8.908   0.361
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  28.829  -1.322  -5.311
    2    H2   PHE   1           HT2      PHE   1  27.477  -0.929  -6.247
    3    H3   PHE   1           HT3      PHE   1  28.894  -1.468  -6.995
    4    HA   PHE   1           HA       PHE   1  27.230  -3.205  -6.943
    5    HB2  PHE   1           HB2      PHE   1  29.668  -3.622  -5.203
    6    HB3  PHE   1           HB1      PHE   1  28.633  -4.938  -5.747
    7    HD1  PHE   1           HD1      PHE   1  28.625  -5.640  -8.062
    8    HD2  PHE   1           HD2      PHE   1  31.121  -2.455  -6.742
    9    HE1  PHE   1           HE1      PHE   1  29.916  -5.791 -10.152
   10    HE2  PHE   1           HE2      PHE   1  32.415  -2.600  -8.830
   11    HZ   PHE   1           HZ       PHE   1  31.813  -4.269 -10.538
   12    H    GLY   2           HN       GLY   2  28.126  -2.036  -3.715
   13    HA2  GLY   2           HA2      GLY   2  25.719  -1.957  -2.511
   14    HA3  GLY   2           HA1      GLY   2  26.114  -3.665  -2.411
   15    H    VAL   3           HN       VAL   3  26.285  -0.766  -0.836
   16    HA   VAL   3           HA       VAL   3  28.218  -1.825   1.080
   17    HB   VAL   3           HB       VAL   3  29.180   0.533   1.366
   18   HG11  VAL   3          HG11      VAL   3  30.863   0.171  -0.379
   19   HG12  VAL   3          HG12      VAL   3  29.813  -1.030  -1.132
   20   HG13  VAL   3          HG13      VAL   3  30.466  -1.319   0.480
   21   HG21  VAL   3          HG21      VAL   3  27.584   1.777  -0.006
   22   HG22  VAL   3          HG22      VAL   3  28.083   0.869  -1.432
   23   HG23  VAL   3          HG23      VAL   3  29.221   1.956  -0.637
   24    H    LYS   4           HN       LYS   4  27.105  -2.015   2.882
   25    HA   LYS   4           HA       LYS   4  25.020  -0.081   3.549
   26    HB2  LYS   4           HB2      LYS   4  25.653  -2.871   4.454
   27    HB3  LYS   4           HB1      LYS   4  24.606  -1.841   5.413
   28    HG2  LYS   4           HG2      LYS   4  23.092  -1.594   3.513
   29    HG3  LYS   4           HG1      LYS   4  24.149  -2.621   2.543
   30    HD2  LYS   4           HD2      LYS   4  23.773  -4.475   4.098
   31    HD3  LYS   4           HD1      LYS   4  22.723  -3.446   5.073
   32    HE2  LYS   4           HE2      LYS   4  21.284  -4.753   3.735
   33    HE3  LYS   4           HE1      LYS   4  21.306  -3.153   2.997
   34    HZ1  LYS   4           HZ1      LYS   4  22.876  -5.503   2.079
   35    HZ2  LYS   4           HZ2      LYS   4  22.899  -3.968   1.369
   36    HZ3  LYS   4           HZ3      LYS   4  21.484  -4.893   1.335
   37    H    ASP   5           HN       ASP   5  27.961  -1.530   4.910
   38    HA   ASP   5           HA       ASP   5  27.894   0.400   7.114
   39    HB2  ASP   5           HB2      ASP   5  29.755  -1.008   8.078
   40    HB3  ASP   5           HB1      ASP   5  28.207  -1.826   7.919
   41    H    GLY   6           HN       GLY   6  30.059  -0.773   4.549
   42    HA2  GLY   6           HA2      GLY   6  31.350   0.785   3.241
   43    HA3  GLY   6           HA1      GLY   6  31.466   1.816   4.659
   44    H    LYS   7           HN       LYS   7  33.038  -0.449   2.773
   45    HA   LYS   7           HA       LYS   7  34.891  -1.223   4.918
   46    HB2  LYS   7           HB2      LYS   7  33.723  -2.912   3.294
   47    HB3  LYS   7           HB1      LYS   7  34.954  -2.392   2.154
   48    HG2  LYS   7           HG2      LYS   7  36.701  -3.103   3.696
   49    HG3  LYS   7           HG1      LYS   7  35.476  -3.598   4.865
   50    HD2  LYS   7           HD2      LYS   7  34.615  -5.241   3.272
   51    HD3  LYS   7           HD1      LYS   7  35.823  -4.734   2.089
   52    HE2  LYS   7           HE2      LYS   7  37.605  -5.434   3.616
   53    HE3  LYS   7           HE1      LYS   7  36.396  -5.938   4.796
   54    HZ1  LYS   7           HZ1      LYS   7  37.226  -7.812   3.520
   55    HZ2  LYS   7           HZ2      LYS   7  36.735  -7.081   2.076
   56    HZ3  LYS   7           HZ3      LYS   7  35.580  -7.568   3.211
   57    H    CYS   8           HN       CYS   8  34.842   0.046   1.589
   58    HA   CYS   8           HA       CYS   8  37.597   0.978   1.944
   59    HB2  CYS   8           HB2      CYS   8  36.043   0.076  -0.408
   60    HB3  CYS   8           HB1      CYS   8  37.180   1.391  -0.674
   61    HA   PRO   9           HA       PRO   9  35.275   4.949   0.405
   62    HB2  PRO   9           HB2      PRO   9  32.418   4.561   0.890
   63    HB3  PRO   9           HB1      PRO   9  33.240   4.989  -0.618
   64    HG2  PRO   9           HG2      PRO   9  32.036   2.615  -0.269
   65    HG3  PRO   9           HG1      PRO   9  33.487   2.814  -1.273
   66    HD2  PRO   9           HD2      PRO   9  33.274   1.812   1.544
   67    HD3  PRO   9           HD1      PRO   9  34.211   1.157   0.186
   68    H    SER  10           HN       SER  10  35.784   3.801   3.143
   69    HA   SER  10           HA       SER  10  34.303   5.779   4.752
   70    HB2  SER  10           HB2      SER  10  34.856   4.301   6.710
   71    HB3  SER  10           HB1      SER  10  33.788   3.554   5.522
   72    HG   SER  10           HG       SER  10  35.842   2.665   4.627
   73    H    GLY  11           HN       GLY  11  37.454   4.309   4.150
   74    HA2  GLY  11           HA2      GLY  11  38.891   6.707   4.600
   75    HA3  GLY  11           HA1      GLY  11  39.022   5.667   6.011
   76    H    ARG  12           HN       ARG  12  38.889   4.853   2.565
   77    HA   ARG  12           HA       ARG  12  41.574   3.669   2.760
   78    HB2  ARG  12           HB2      ARG  12  39.370   2.173   2.672
   79    HB3  ARG  12           HB1      ARG  12  39.521   2.481   0.950
   80    HG2  ARG  12           HG2      ARG  12  40.712   0.554   1.077
   81    HG3  ARG  12           HG1      ARG  12  42.004   1.706   1.402
   82    HD2  ARG  12           HD2      ARG  12  40.403   0.356   3.569
   83    HD3  ARG  12           HD1      ARG  12  41.917  -0.286   2.939
   84    HE   ARG  12           HE       ARG  12  42.466   2.308   3.675
   85   HH11  ARG  12          HH11      ARG  12  42.008  -0.096   6.860
   86   HH12  ARG  12          HH12      ARG  12  41.314  -0.559   5.344
   87   HH21  ARG  12          HH21      ARG  12  43.169   1.859   7.045
   88   HH22  ARG  12          HH22      ARG  12  43.367   2.894   5.671
   89    H    VAL  13           HN       VAL  13  42.792   3.631   0.802
   90    HA   VAL  13           HA       VAL  13  42.173   5.841  -0.984
   91    HB   VAL  13           HB       VAL  13  44.436   5.608   0.060
   92   HG11  VAL  13          HG11      VAL  13  44.783   3.231  -0.023
   93   HG12  VAL  13          HG12      VAL  13  46.059   4.031  -0.938
   94   HG13  VAL  13          HG13      VAL  13  44.729   3.241  -1.785
   95   HG21  VAL  13          HG21      VAL  13  45.717   6.197  -1.947
   96   HG22  VAL  13          HG22      VAL  13  44.146   6.998  -1.902
   97   HG23  VAL  13          HG23      VAL  13  44.397   5.605  -2.954
   98    H    ARG  14           HN       ARG  14  42.105   5.684  -3.248
   99    HA   ARG  14           HA       ARG  14  41.802   2.989  -4.379
  100    HB2  ARG  14           HB2      ARG  14  39.598   4.328  -3.817
  101    HB3  ARG  14           HB1      ARG  14  39.989   5.203  -5.288
  102    HG2  ARG  14           HG2      ARG  14  39.890   2.217  -5.349
  103    HG3  ARG  14           HG1      ARG  14  38.387   3.139  -5.354
  104    HD2  ARG  14           HD2      ARG  14  40.626   3.630  -7.309
  105    HD3  ARG  14           HD1      ARG  14  39.313   2.499  -7.619
  106    HE   ARG  14           HE       ARG  14  38.171   4.945  -6.919
  107   HH11  ARG  14          HH11      ARG  14  39.465   4.760 -10.717
  108   HH12  ARG  14          HH12      ARG  14  40.104   3.651  -9.551
  109   HH21  ARG  14          HH21      ARG  14  37.351   6.388  -8.463
  110   HH22  ARG  14          HH22      ARG  14  37.909   6.309 -10.100
  111    H    ARG  15           HN       ARG  15  43.508   2.857  -5.682
  112    HA   ARG  15           HA       ARG  15  43.820   4.868  -7.784
  113    HB2  ARG  15           HB2      ARG  15  46.310   4.761  -7.556
  114    HB3  ARG  15           HB1      ARG  15  45.501   5.534  -6.208
  115    HG2  ARG  15           HG2      ARG  15  45.793   3.541  -4.850
  116    HG3  ARG  15           HG1      ARG  15  46.527   2.695  -6.213
  117    HD2  ARG  15           HD2      ARG  15  48.341   4.351  -6.243
  118    HD3  ARG  15           HD1      ARG  15  47.611   5.165  -4.861
  119    HE   ARG  15           HE       ARG  15  47.953   2.595  -4.020
  120   HH11  ARG  15          HH11      ARG  15  51.508   4.417  -4.450
  121   HH12  ARG  15          HH12      ARG  15  50.136   5.024  -5.315
  122   HH21  ARG  15          HH21      ARG  15  49.763   1.818  -2.900
  123   HH22  ARG  15          HH22      ARG  15  51.297   2.603  -3.084
  124    H    LEU  16           HN       LEU  16  44.598   4.120  -9.744
  125    HA   LEU  16           HA       LEU  16  44.936   2.702 -11.473
  126    HB2  LEU  16           HB2      LEU  16  46.040   0.893  -9.327
  127    HB3  LEU  16           HB1      LEU  16  46.103   0.515 -11.038
  128    HG   LEU  16           HG       LEU  16  47.236   2.997 -11.001
  129   HD11  LEU  16          HD11      LEU  16  48.695   3.231  -9.171
  130   HD12  LEU  16          HD12      LEU  16  48.347   1.607  -8.582
  131   HD13  LEU  16          HD13      LEU  16  47.118   2.864  -8.472
  132   HD21  LEU  16          HD21      LEU  16  48.613   0.334 -10.662
  133   HD22  LEU  16          HD22      LEU  16  49.366   1.813 -11.258
  134   HD23  LEU  16          HD23      LEU  16  48.077   1.043 -12.184
  135    H    GLY  17           HN       GLY  17  42.497   2.369  -9.486
  136    HA2  GLY  17           HA2      GLY  17  40.417   1.412 -10.013
  137    HA3  GLY  17           HA1      GLY  17  41.226   0.296 -11.099
  138    H    ILE  18           HN       ILE  18  42.534   0.661  -7.931
  139    HA   ILE  18           HA       ILE  18  41.113  -1.705  -6.947
  140    HB   ILE  18           HB       ILE  18  43.343  -2.551  -5.988
  141   HG12  ILE  18          HG12      ILE  18  45.208  -2.071  -7.816
  142   HG13  ILE  18          HG11      ILE  18  44.345  -0.551  -7.989
  143   HG21  ILE  18          HG21      ILE  18  42.789  -2.746  -8.948
  144   HG22  ILE  18          HG22      ILE  18  42.061  -3.732  -7.678
  145   HG23  ILE  18          HG23      ILE  18  43.788  -3.866  -8.019
  146   HD11  ILE  18          HD11      ILE  18  46.212  -0.339  -6.455
  147   HD12  ILE  18          HD12      ILE  18  45.547  -1.622  -5.445
  148   HD13  ILE  18          HD13      ILE  18  44.683  -0.094  -5.613
  149    H    CYS  19           HN       CYS  19  41.271  -2.050  -4.647
  150    HA   CYS  19           HA       CYS  19  41.860   0.417  -3.148
  151    HB2  CYS  19           HB2      CYS  19  39.409  -0.131  -3.419
  152    HB3  CYS  19           HB1      CYS  19  39.707  -1.583  -2.469
  153    H    VAL  20           HN       VAL  20  43.186   0.242  -1.480
  154    HA   VAL  20           HA       VAL  20  43.538  -2.254  -0.054
  155    HB   VAL  20           HB       VAL  20  46.103  -2.014  -0.213
  156   HG11  VAL  20          HG11      VAL  20  44.529  -2.987  -2.602
  157   HG12  VAL  20          HG12      VAL  20  44.869  -3.903  -1.135
  158   HG13  VAL  20          HG13      VAL  20  46.187  -3.445  -2.213
  159   HG21  VAL  20          HG21      VAL  20  46.965  -1.120  -2.344
  160   HG22  VAL  20          HG22      VAL  20  46.202   0.144  -1.376
  161   HG23  VAL  20          HG23      VAL  20  45.348  -0.548  -2.756
  162    HA   PRO  21           HA       PRO  21  44.238   0.614   3.299
  163    HB2  PRO  21           HB2      PRO  21  45.871  -1.217   4.838
  164    HB3  PRO  21           HB1      PRO  21  44.158  -0.822   5.060
  165    HG2  PRO  21           HG2      PRO  21  45.045  -3.267   4.264
  166    HG3  PRO  21           HG1      PRO  21  43.444  -2.613   3.863
  167    HD2  PRO  21           HD2      PRO  21  45.912  -2.722   2.173
  168    HD3  PRO  21           HD1      PRO  21  44.221  -3.032   1.729
  169    H    ASP  22           HN       ASP  22  45.536   2.308   2.869
  170    HA   ASP  22           HA       ASP  22  48.456   1.900   3.002
  171    HB2  ASP  22           HB2      ASP  22  46.831   3.780   1.296
  172    HB3  ASP  22           HB1      ASP  22  48.558   4.004   1.556
  173    H    ASP  23           HN       ASP  23  46.046   2.984   4.856
  174    HA   ASP  23           HA       ASP  23  47.521   5.319   5.877
  175    HB2  ASP  23           HB2      ASP  23  44.591   4.610   6.041
  176    HB3  ASP  23           HB1      ASP  23  45.321   5.883   7.013
  177    H    ASP  24           HN       ASP  24  45.945   2.296   6.790
  178    HA   ASP  24           HA       ASP  24  46.758   2.600   9.576
  179    HB2  ASP  24           HB2      ASP  24  44.487   1.634   8.679
  180    HB3  ASP  24           HB1      ASP  24  45.411   0.146   8.498
  181    H    TYR  25           HN       TYR  25  47.384   0.467   6.802
  182    HA   TYR  25           HA       TYR  25  49.792  -0.514   8.189
  183    HB2  TYR  25           HB2      TYR  25  47.787  -2.159   7.832
  184    HB3  TYR  25           HB1      TYR  25  48.352  -2.202   6.165
  185    HD1  TYR  25           HD1      TYR  25  49.123  -3.119   9.628
  186    HD2  TYR  25           HD2      TYR  25  50.457  -3.267   5.592
  187    HE1  TYR  25           HE1      TYR  25  50.790  -4.820  10.247
  188    HE2  TYR  25           HE2      TYR  25  52.125  -4.968   6.197
  189    HH   TYR  25           HH       TYR  25  53.331  -5.739   8.186
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  23.698  -7.950  -6.572
    2    H2   PHE   1           HT2      PHE   1  24.849  -8.615  -7.619
    3    H3   PHE   1           HT3      PHE   1  24.032  -7.198  -8.050
    4    HA   PHE   1           HA       PHE   1  25.063  -5.993  -6.258
    5    HB2  PHE   1           HB2      PHE   1  26.393  -8.657  -5.723
    6    HB3  PHE   1           HB1      PHE   1  26.969  -7.137  -5.050
    7    HD1  PHE   1           HD1      PHE   1  24.345  -9.676  -4.942
    8    HD2  PHE   1           HD2      PHE   1  25.730  -5.996  -3.311
    9    HE1  PHE   1           HE1      PHE   1  22.782  -9.927  -3.059
   10    HE2  PHE   1           HE2      PHE   1  24.169  -6.241  -1.425
   11    HZ   PHE   1           HZ       PHE   1  22.693  -8.208  -1.296
   12    H    GLY   2           HN       GLY   2  26.784  -4.737  -6.810
   13    HA2  GLY   2           HA2      GLY   2  28.942  -5.672  -8.456
   14    HA3  GLY   2           HA1      GLY   2  27.782  -4.708  -9.358
   15    H    VAL   3           HN       VAL   3  30.641  -4.551  -7.833
   16    HA   VAL   3           HA       VAL   3  30.433  -1.666  -7.471
   17    HB   VAL   3           HB       VAL   3  31.904  -1.845  -5.378
   18   HG11  VAL   3          HG11      VAL   3  29.620  -1.043  -5.329
   19   HG12  VAL   3          HG12      VAL   3  29.953  -2.032  -3.907
   20   HG13  VAL   3          HG13      VAL   3  29.017  -2.698  -5.245
   21   HG21  VAL   3          HG21      VAL   3  32.439  -4.229  -5.481
   22   HG22  VAL   3          HG22      VAL   3  30.731  -4.633  -5.313
   23   HG23  VAL   3          HG23      VAL   3  31.585  -3.847  -3.986
   24    H    LYS   4           HN       LYS   4  31.851  -0.845  -8.803
   25    HA   LYS   4           HA       LYS   4  34.522  -2.067  -8.996
   26    HB2  LYS   4           HB2      LYS   4  34.589  -1.241 -11.380
   27    HB3  LYS   4           HB1      LYS   4  33.488  -2.571 -11.072
   28    HG2  LYS   4           HG2      LYS   4  31.601  -0.994 -11.062
   29    HG3  LYS   4           HG1      LYS   4  32.720   0.331 -11.393
   30    HD2  LYS   4           HD2      LYS   4  33.357  -0.733 -13.501
   31    HD3  LYS   4           HD1      LYS   4  32.252  -2.067 -13.166
   32    HE2  LYS   4           HE2      LYS   4  30.368  -0.503 -13.180
   33    HE3  LYS   4           HE1      LYS   4  31.475   0.826 -13.522
   34    HZ1  LYS   4           HZ1      LYS   4  32.060  -0.246 -15.608
   35    HZ2  LYS   4           HZ2      LYS   4  30.395   0.040 -15.531
   36    HZ3  LYS   4           HZ3      LYS   4  30.996  -1.520 -15.280
   37    H    ASP   5           HN       ASP   5  32.630   0.892  -9.015
   38    HA   ASP   5           HA       ASP   5  35.047   2.534  -8.992
   39    HB2  ASP   5           HB2      ASP   5  33.428   4.464  -9.105
   40    HB3  ASP   5           HB1      ASP   5  33.385   3.372 -10.483
   41    H    GLY   6           HN       GLY   6  32.875   1.142  -6.784
   42    HA2  GLY   6           HA2      GLY   6  33.922   2.868  -4.632
   43    HA3  GLY   6           HA1      GLY   6  32.219   2.440  -4.691
   44    H    LYS   7           HN       LYS   7  35.472   1.117  -4.413
   45    HA   LYS   7           HA       LYS   7  34.480  -1.414  -3.385
   46    HB2  LYS   7           HB2      LYS   7  37.182  -0.372  -4.167
   47    HB3  LYS   7           HB1      LYS   7  37.035  -1.837  -3.215
   48    HG2  LYS   7           HG2      LYS   7  35.664  -2.844  -4.971
   49    HG3  LYS   7           HG1      LYS   7  35.823  -1.371  -5.928
   50    HD2  LYS   7           HD2      LYS   7  38.248  -1.685  -6.013
   51    HD3  LYS   7           HD1      LYS   7  38.095  -3.151  -5.044
   52    HE2  LYS   7           HE2      LYS   7  36.716  -2.787  -7.695
   53    HE3  LYS   7           HE1      LYS   7  38.333  -3.472  -7.546
   54    HZ1  LYS   7           HZ1      LYS   7  36.650  -5.199  -7.649
   55    HZ2  LYS   7           HZ2      LYS   7  35.871  -4.563  -6.289
   56    HZ3  LYS   7           HZ3      LYS   7  37.423  -5.221  -6.144
   57    H    CYS   8           HN       CYS   8  36.379   1.366  -2.252
   58    HA   CYS   8           HA       CYS   8  36.131   0.352   0.498
   59    HB2  CYS   8           HB2      CYS   8  38.022   2.028   0.948
   60    HB3  CYS   8           HB1      CYS   8  38.427   0.550   0.081
   61    HA   PRO   9           HA       PRO   9  33.470   4.003   0.837
   62    HB2  PRO   9           HB2      PRO   9  31.993   3.159   2.946
   63    HB3  PRO   9           HB1      PRO   9  31.730   2.554   1.301
   64    HG2  PRO   9           HG2      PRO   9  33.001   1.224   3.611
   65    HG3  PRO   9           HG1      PRO   9  32.110   0.525   2.248
   66    HD2  PRO   9           HD2      PRO   9  34.915   0.630   2.546
   67    HD3  PRO   9           HD1      PRO   9  34.019   0.174   1.087
   68    H    SER  10           HN       SER  10  35.305   5.296   1.439
   69    HA   SER  10           HA       SER  10  36.526   6.685   2.737
   70    HB2  SER  10           HB2      SER  10  34.220   6.345   4.673
   71    HB3  SER  10           HB1      SER  10  35.457   7.596   4.780
   72    HG   SER  10           HG       SER  10  34.544   8.649   3.184
   73    H    GLY  11           HN       GLY  11  38.372   5.654   3.161
   74    HA2  GLY  11           HA2      GLY  11  39.286   5.133   5.664
   75    HA3  GLY  11           HA1      GLY  11  38.587   3.597   5.176
   76    H    ARG  12           HN       ARG  12  39.270   3.098   2.737
   77    HA   ARG  12           HA       ARG  12  42.194   3.033   2.774
   78    HB2  ARG  12           HB2      ARG  12  40.110   1.433   1.302
   79    HB3  ARG  12           HB1      ARG  12  41.800   1.359   0.856
   80    HG2  ARG  12           HG2      ARG  12  41.643  -0.446   2.254
   81    HG3  ARG  12           HG1      ARG  12  42.126   0.804   3.400
   82    HD2  ARG  12           HD2      ARG  12  40.361  -0.302   4.461
   83    HD3  ARG  12           HD1      ARG  12  39.628   1.154   3.793
   84    HE   ARG  12           HE       ARG  12  39.333  -0.851   1.894
   85   HH11  ARG  12          HH11      ARG  12  36.733  -1.127   4.943
   86   HH12  ARG  12          HH12      ARG  12  38.197  -0.226   5.158
   87   HH21  ARG  12          HH21      ARG  12  36.288  -2.142   2.950
   88   HH22  ARG  12          HH22      ARG  12  37.410  -2.023   1.635
   89    H    VAL  13           HN       VAL  13  43.400   3.361   0.791
   90    HA   VAL  13           HA       VAL  13  42.384   5.643  -0.704
   91    HB   VAL  13           HB       VAL  13  44.662   5.694   0.327
   92   HG11  VAL  13          HG11      VAL  13  45.417   3.437  -0.037
   93   HG12  VAL  13          HG12      VAL  13  46.532   4.559  -0.815
   94   HG13  VAL  13          HG13      VAL  13  45.364   3.662  -1.786
   95   HG21  VAL  13          HG21      VAL  13  44.121   7.238  -1.456
   96   HG22  VAL  13          HG22      VAL  13  44.591   6.045  -2.667
   97   HG23  VAL  13          HG23      VAL  13  45.805   6.729  -1.587
   98    H    ARG  14           HN       ARG  14  42.010   5.691  -2.886
   99    HA   ARG  14           HA       ARG  14  41.887   3.087  -4.226
  100    HB2  ARG  14           HB2      ARG  14  39.864   4.703  -3.985
  101    HB3  ARG  14           HB1      ARG  14  40.631   5.602  -5.287
  102    HG2  ARG  14           HG2      ARG  14  40.513   3.657  -6.737
  103    HG3  ARG  14           HG1      ARG  14  39.821   2.701  -5.426
  104    HD2  ARG  14           HD2      ARG  14  38.023   3.356  -6.813
  105    HD3  ARG  14           HD1      ARG  14  37.930   4.355  -5.366
  106    HE   ARG  14           HE       ARG  14  39.372   5.572  -7.542
  107   HH11  ARG  14          HH11      ARG  14  35.543   6.573  -6.859
  108   HH12  ARG  14          HH12      ARG  14  36.191   5.148  -6.118
  109   HH21  ARG  14          HH21      ARG  14  38.503   7.433  -8.501
  110   HH22  ARG  14          HH22      ARG  14  36.852   7.866  -8.208
  111    H    ARG  15           HN       ARG  15  42.897   2.654  -6.086
  112    HA   ARG  15           HA       ARG  15  44.290   4.666  -7.627
  113    HB2  ARG  15           HB2      ARG  15  45.774   2.618  -5.985
  114    HB3  ARG  15           HB1      ARG  15  46.462   3.251  -7.473
  115    HG2  ARG  15           HG2      ARG  15  46.359   5.515  -6.561
  116    HG3  ARG  15           HG1      ARG  15  45.658   4.882  -5.070
  117    HD2  ARG  15           HD2      ARG  15  47.677   3.557  -4.685
  118    HD3  ARG  15           HD1      ARG  15  48.376   4.184  -6.178
  119    HE   ARG  15           HE       ARG  15  47.691   6.371  -4.601
  120   HH11  ARG  15          HH11      ARG  15  51.097   4.559  -3.477
  121   HH12  ARG  15          HH12      ARG  15  49.949   3.684  -4.433
  122   HH21  ARG  15          HH21      ARG  15  49.208   7.496  -3.348
  123   HH22  ARG  15          HH22      ARG  15  50.677   6.716  -2.864
  124    H    LEU  16           HN       LEU  16  43.733   4.142  -9.648
  125    HA   LEU  16           HA       LEU  16  43.325   3.022 -11.569
  126    HB2  LEU  16           HB2      LEU  16  45.019   0.889 -10.273
  127    HB3  LEU  16           HB1      LEU  16  44.436   0.789 -11.921
  128    HG   LEU  16           HG       LEU  16  45.646   3.131 -12.144
  129   HD11  LEU  16          HD11      LEU  16  47.148   1.809  -9.889
  130   HD12  LEU  16          HD12      LEU  16  46.269   3.335  -9.806
  131   HD13  LEU  16          HD13      LEU  16  47.708   3.200 -10.817
  132   HD21  LEU  16          HD21      LEU  16  46.171   1.156 -13.455
  133   HD22  LEU  16          HD22      LEU  16  47.085   0.482 -12.107
  134   HD23  LEU  16          HD23      LEU  16  47.652   1.945 -12.912
  135    H    GLY  17           HN       GLY  17  41.855   2.250  -8.807
  136    HA2  GLY  17           HA2      GLY  17  39.538   1.494  -8.993
  137    HA3  GLY  17           HA1      GLY  17  40.098   0.270 -10.117
  138    H    ILE  18           HN       ILE  18  42.367   0.462  -7.700
  139    HA   ILE  18           HA       ILE  18  41.015  -1.618  -6.102
  140    HB   ILE  18           HB       ILE  18  43.321  -2.588  -5.658
  141   HG12  ILE  18          HG12      ILE  18  44.272  -1.557  -8.278
  142   HG13  ILE  18          HG11      ILE  18  44.324  -0.412  -6.942
  143   HG21  ILE  18          HG21      ILE  18  41.665  -3.691  -7.061
  144   HG22  ILE  18          HG22      ILE  18  43.282  -3.924  -7.731
  145   HG23  ILE  18          HG23      ILE  18  42.187  -2.745  -8.455
  146   HD11  ILE  18          HD11      ILE  18  45.636  -3.121  -6.998
  147   HD12  ILE  18          HD12      ILE  18  45.683  -1.981  -5.654
  148   HD13  ILE  18          HD13      ILE  18  46.442  -1.565  -7.191
  149    H    CYS  19           HN       CYS  19  40.873  -1.302  -4.002
  150    HA   CYS  19           HA       CYS  19  42.129   1.039  -2.809
  151    HB2  CYS  19           HB2      CYS  19  40.055  -0.882  -1.731
  152    HB3  CYS  19           HB1      CYS  19  40.617   0.562  -0.900
  153    H    VAL  20           HN       VAL  20  43.388   0.998  -0.929
  154    HA   VAL  20           HA       VAL  20  44.272  -1.531   0.175
  155    HB   VAL  20           HB       VAL  20  46.739  -0.814  -0.078
  156   HG11  VAL  20          HG11      VAL  20  45.200  -1.837  -2.468
  157   HG12  VAL  20          HG12      VAL  20  45.799  -2.805  -1.121
  158   HG13  VAL  20          HG13      VAL  20  46.936  -2.017  -2.216
  159   HG21  VAL  20          HG21      VAL  20  47.282   0.412  -2.149
  160   HG22  VAL  20          HG22      VAL  20  46.376   1.422  -1.020
  161   HG23  VAL  20          HG23      VAL  20  45.565   0.716  -2.417
  162    HA   PRO  21           HA       PRO  21  44.343   1.320   3.693
  163    HB2  PRO  21           HB2      PRO  21  45.318  -0.870   5.351
  164    HB3  PRO  21           HB1      PRO  21  43.733  -0.078   5.384
  165    HG2  PRO  21           HG2      PRO  21  44.077  -2.631   4.577
  166    HG3  PRO  21           HG1      PRO  21  42.792  -1.576   3.954
  167    HD2  PRO  21           HD2      PRO  21  45.399  -2.319   2.688
  168    HD3  PRO  21           HD1      PRO  21  43.787  -2.159   1.960
  169    H    ASP  22           HN       ASP  22  45.843   2.365   5.017
  170    HA   ASP  22           HA       ASP  22  48.660   1.584   4.696
  171    HB2  ASP  22           HB2      ASP  22  47.470   4.342   4.361
  172    HB3  ASP  22           HB1      ASP  22  49.190   4.068   4.615
  173    H    ASP  23           HN       ASP  23  49.386   1.055   6.657
  174    HA   ASP  23           HA       ASP  23  48.666   2.769   8.941
  175    HB2  ASP  23           HB2      ASP  23  47.645   0.359   8.809
  176    HB3  ASP  23           HB1      ASP  23  49.251  -0.153   9.312
  177    H    ASP  24           HN       ASP  24  51.061   0.452   7.667
  178    HA   ASP  24           HA       ASP  24  53.114   1.584   9.408
  179    HB2  ASP  24           HB2      ASP  24  52.924  -0.925   7.763
  180    HB3  ASP  24           HB1      ASP  24  54.467  -0.357   8.382
  181    H    TYR  25           HN       TYR  25  52.490   0.945   5.963
  182    HA   TYR  25           HA       TYR  25  54.365   3.096   5.286
  183    HB2  TYR  25           HB2      TYR  25  55.084   1.743   3.267
  184    HB3  TYR  25           HB1      TYR  25  55.663   1.156   4.818
  185    HD1  TYR  25           HD1      TYR  25  54.655  -0.899   5.810
  186    HD2  TYR  25           HD2      TYR  25  53.672   0.408   1.881
  187    HE1  TYR  25           HE1      TYR  25  53.758  -3.130   5.299
  188    HE2  TYR  25           HE2      TYR  25  52.770  -1.820   1.360
  189    HH   TYR  25           HH       TYR  25  52.162  -4.160   3.740
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  30.403   8.829  -4.332
    2    H2   PHE   1           HT2      PHE   1  31.068   8.498  -5.851
    3    H3   PHE   1           HT3      PHE   1  30.531   7.228  -4.872
    4    HA   PHE   1           HA       PHE   1  28.822   9.337  -6.053
    5    HB2  PHE   1           HB2      PHE   1  29.247   6.440  -6.802
    6    HB3  PHE   1           HB1      PHE   1  27.883   7.394  -7.373
    7    HD1  PHE   1           HD1      PHE   1  28.193   9.155  -9.003
    8    HD2  PHE   1           HD2      PHE   1  31.488   6.846  -7.615
    9    HE1  PHE   1           HE1      PHE   1  29.559   9.985 -10.874
   10    HE2  PHE   1           HE2      PHE   1  32.859   7.671  -9.483
   11    HZ   PHE   1           HZ       PHE   1  31.894   9.243 -11.115
   12    H    GLY   2           HN       GLY   2  29.023   6.345  -4.157
   13    HA2  GLY   2           HA2      GLY   2  26.810   7.144  -2.506
   14    HA3  GLY   2           HA1      GLY   2  26.403   5.815  -3.583
   15    H    VAL   3           HN       VAL   3  26.453   5.785  -0.708
   16    HA   VAL   3           HA       VAL   3  28.280   3.540  -0.333
   17    HB   VAL   3           HB       VAL   3  28.809   4.394   2.023
   18   HG11  VAL   3          HG11      VAL   3  30.476   4.238   0.272
   19   HG12  VAL   3          HG12      VAL   3  30.732   5.694   1.234
   20   HG13  VAL   3          HG13      VAL   3  29.989   5.810  -0.362
   21   HG21  VAL   3          HG21      VAL   3  28.027   7.042   0.788
   22   HG22  VAL   3          HG22      VAL   3  28.869   6.833   2.322
   23   HG23  VAL   3          HG23      VAL   3  27.217   6.245   2.138
   24    H    LYS   4           HN       LYS   4  27.017   1.902   0.149
   25    HA   LYS   4           HA       LYS   4  24.544   2.306   1.640
   26    HB2  LYS   4           HB2      LYS   4  25.635   0.080  -0.051
   27    HB3  LYS   4           HB1      LYS   4  24.289  -0.203   1.039
   28    HG2  LYS   4           HG2      LYS   4  22.997   1.530  -0.098
   29    HG3  LYS   4           HG1      LYS   4  24.353   1.819  -1.190
   30    HD2  LYS   4           HD2      LYS   4  24.187  -0.486  -2.001
   31    HD3  LYS   4           HD1      LYS   4  22.832  -0.772  -0.908
   32    HE2  LYS   4           HE2      LYS   4  21.541   0.959  -2.058
   33    HE3  LYS   4           HE1      LYS   4  22.896   1.246  -3.150
   34    HZ1  LYS   4           HZ1      LYS   4  22.684  -1.023  -3.950
   35    HZ2  LYS   4           HZ2      LYS   4  21.233  -0.180  -4.162
   36    HZ3  LYS   4           HZ3      LYS   4  21.384  -1.299  -2.903
   37    H    ASP   5           HN       ASP   5  27.558   0.440   1.826
   38    HA   ASP   5           HA       ASP   5  26.957  -0.118   4.654
   39    HB2  ASP   5           HB2      ASP   5  28.416  -2.163   4.408
   40    HB3  ASP   5           HB1      ASP   5  26.892  -2.225   3.536
   41    H    GLY   6           HN       GLY   6  29.596   0.413   2.324
   42    HA2  GLY   6           HA2      GLY   6  31.352   1.970   2.656
   43    HA3  GLY   6           HA1      GLY   6  31.055   1.899   4.387
   44    H    LYS   7           HN       LYS   7  32.509   0.262   1.650
   45    HA   LYS   7           HA       LYS   7  34.000  -1.493   3.479
   46    HB2  LYS   7           HB2      LYS   7  32.582  -2.318   1.403
   47    HB3  LYS   7           HB1      LYS   7  34.029  -1.876   0.512
   48    HG2  LYS   7           HG2      LYS   7  35.350  -3.396   1.906
   49    HG3  LYS   7           HG1      LYS   7  33.888  -3.844   2.789
   50    HD2  LYS   7           HD2      LYS   7  32.904  -4.705   0.721
   51    HD3  LYS   7           HD1      LYS   7  34.359  -4.246  -0.165
   52    HE2  LYS   7           HE2      LYS   7  35.677  -5.779   1.217
   53    HE3  LYS   7           HE1      LYS   7  34.221  -6.236   2.098
   54    HZ1  LYS   7           HZ1      LYS   7  34.765  -7.853   0.392
   55    HZ2  LYS   7           HZ2      LYS   7  34.688  -6.660  -0.805
   56    HZ3  LYS   7           HZ3      LYS   7  33.291  -7.099   0.041
   57    H    CYS   8           HN       CYS   8  34.443   0.556   0.589
   58    HA   CYS   8           HA       CYS   8  37.238   0.949   1.389
   59    HB2  CYS   8           HB2      CYS   8  36.036   0.395  -1.264
   60    HB3  CYS   8           HB1      CYS   8  37.362   1.544  -1.211
   61    HA   PRO   9           HA       PRO   9  35.655   5.247  -0.275
   62    HB2  PRO   9           HB2      PRO   9  32.724   5.144  -0.169
   63    HB3  PRO   9           HB1      PRO   9  33.776   5.609  -1.516
   64    HG2  PRO   9           HG2      PRO   9  32.334   3.358  -1.567
   65    HG3  PRO   9           HG1      PRO   9  33.939   3.473  -2.318
   66    HD2  PRO   9           HD2      PRO   9  33.186   2.291   0.332
   67    HD3  PRO   9           HD1      PRO   9  34.258   1.642  -0.924
   68    H    SER  10           HN       SER  10  35.664   3.935   2.437
   69    HA   SER  10           HA       SER  10  34.181   5.973   3.962
   70    HB2  SER  10           HB2      SER  10  33.584   3.572   4.405
   71    HB3  SER  10           HB1      SER  10  35.229   3.325   4.990
   72    HG   SER  10           HG       SER  10  33.164   4.212   6.352
   73    H    GLY  11           HN       GLY  11  37.271   4.273   3.683
   74    HA2  GLY  11           HA2      GLY  11  38.786   6.574   4.425
   75    HA3  GLY  11           HA1      GLY  11  38.728   5.406   5.738
   76    H    ARG  12           HN       ARG  12  38.844   4.825   2.251
   77    HA   ARG  12           HA       ARG  12  41.436   3.461   2.595
   78    HB2  ARG  12           HB2      ARG  12  38.922   2.473   1.631
   79    HB3  ARG  12           HB1      ARG  12  40.080   2.444   0.315
   80    HG2  ARG  12           HG2      ARG  12  40.352   0.358   1.227
   81    HG3  ARG  12           HG1      ARG  12  41.624   1.266   2.044
   82    HD2  ARG  12           HD2      ARG  12  38.883   0.824   3.223
   83    HD3  ARG  12           HD1      ARG  12  40.243  -0.261   3.505
   84    HE   ARG  12           HE       ARG  12  41.039   2.351   4.138
   85   HH11  ARG  12          HH11      ARG  12  38.981   0.445   7.015
   86   HH12  ARG  12          HH12      ARG  12  38.864  -0.114   5.379
   87   HH21  ARG  12          HH21      ARG  12  40.287   2.241   7.527
   88   HH22  ARG  12          HH22      ARG  12  41.175   3.063   6.288
   89    H    VAL  13           HN       VAL  13  42.809   3.402   0.697
   90    HA   VAL  13           HA       VAL  13  42.592   5.850  -0.887
   91    HB   VAL  13           HB       VAL  13  44.967   5.249  -1.628
   92   HG11  VAL  13          HG11      VAL  13  44.500   7.010  -0.034
   93   HG12  VAL  13          HG12      VAL  13  45.959   6.138   0.431
   94   HG13  VAL  13          HG13      VAL  13  44.444   5.837   1.280
   95   HG21  VAL  13          HG21      VAL  13  44.831   3.374   0.740
   96   HG22  VAL  13          HG22      VAL  13  46.267   3.763  -0.208
   97   HG23  VAL  13          HG23      VAL  13  44.934   2.874  -0.948
   98    H    ARG  14           HN       ARG  14  41.462   5.647  -2.693
   99    HA   ARG  14           HA       ARG  14  41.517   3.139  -4.188
  100    HB2  ARG  14           HB2      ARG  14  39.419   4.664  -3.529
  101    HB3  ARG  14           HB1      ARG  14  39.824   5.433  -5.053
  102    HG2  ARG  14           HG2      ARG  14  39.511   2.462  -4.939
  103    HG3  ARG  14           HG1      ARG  14  38.085   3.496  -4.979
  104    HD2  ARG  14           HD2      ARG  14  40.311   3.739  -6.987
  105    HD3  ARG  14           HD1      ARG  14  38.955   2.636  -7.209
  106    HE   ARG  14           HE       ARG  14  38.371   5.462  -6.731
  107   HH11  ARG  14          HH11      ARG  14  37.477   3.600 -10.177
  108   HH12  ARG  14          HH12      ARG  14  38.468   2.790  -9.011
  109   HH21  ARG  14          HH21      ARG  14  37.072   6.500  -8.269
  110   HH22  ARG  14          HH22      ARG  14  36.686   5.698  -9.756
  111    H    ARG  15           HN       ARG  15  43.063   2.929  -5.626
  112    HA   ARG  15           HA       ARG  15  43.552   5.073  -7.560
  113    HB2  ARG  15           HB2      ARG  15  45.662   3.676  -5.917
  114    HB3  ARG  15           HB1      ARG  15  46.037   4.471  -7.438
  115    HG2  ARG  15           HG2      ARG  15  45.223   6.593  -6.528
  116    HG3  ARG  15           HG1      ARG  15  44.868   5.790  -4.996
  117    HD2  ARG  15           HD2      ARG  15  47.234   5.226  -4.744
  118    HD3  ARG  15           HD1      ARG  15  47.588   6.021  -6.278
  119    HE   ARG  15           HE       ARG  15  46.286   7.824  -4.540
  120   HH11  ARG  15          HH11      ARG  15  50.278   7.552  -4.177
  121   HH12  ARG  15          HH12      ARG  15  49.410   6.277  -4.964
  122   HH21  ARG  15          HH21      ARG  15  47.442   9.481  -3.511
  123   HH22  ARG  15          HH22      ARG  15  49.163   9.364  -3.355
  124    H    LEU  16           HN       LEU  16  43.521   4.330  -9.594
  125    HA   LEU  16           HA       LEU  16  43.483   2.992 -11.412
  126    HB2  LEU  16           HB2      LEU  16  45.361   1.351  -9.726
  127    HB3  LEU  16           HB1      LEU  16  44.920   0.882 -11.355
  128    HG   LEU  16           HG       LEU  16  45.756   3.292 -11.972
  129   HD11  LEU  16          HD11      LEU  16  46.105   4.108  -9.727
  130   HD12  LEU  16          HD12      LEU  16  47.656   3.989 -10.558
  131   HD13  LEU  16          HD13      LEU  16  47.194   2.767  -9.374
  132   HD21  LEU  16          HD21      LEU  16  47.620   1.028 -11.273
  133   HD22  LEU  16          HD22      LEU  16  48.005   2.381 -12.335
  134   HD23  LEU  16          HD23      LEU  16  46.745   1.234 -12.791
  135    H    GLY  17           HN       GLY  17  41.746   2.358  -8.843
  136    HA2  GLY  17           HA2      GLY  17  39.687   1.209  -8.871
  137    HA3  GLY  17           HA1      GLY  17  40.306   0.171 -10.144
  138    H    ILE  18           HN       ILE  18  42.392   0.629  -7.453
  139    HA   ILE  18           HA       ILE  18  41.480  -1.883  -6.227
  140    HB   ILE  18           HB       ILE  18  43.411  -2.325  -7.737
  141   HG12  ILE  18          HG12      ILE  18  44.911  -3.351  -5.810
  142   HG13  ILE  18          HG11      ILE  18  43.550  -2.875  -4.802
  143   HG21  ILE  18          HG21      ILE  18  44.990  -0.593  -5.832
  144   HG22  ILE  18          HG22      ILE  18  44.641  -0.236  -7.522
  145   HG23  ILE  18          HG23      ILE  18  45.677  -1.602  -7.105
  146   HD11  ILE  18          HD11      ILE  18  43.365  -5.192  -5.499
  147   HD12  ILE  18          HD12      ILE  18  43.426  -4.701  -7.193
  148   HD13  ILE  18          HD13      ILE  18  42.058  -4.227  -6.187
  149    H    CYS  19           HN       CYS  19  41.653  -2.049  -4.027
  150    HA   CYS  19           HA       CYS  19  42.191   0.435  -2.579
  151    HB2  CYS  19           HB2      CYS  19  40.765  -2.110  -1.799
  152    HB3  CYS  19           HB1      CYS  19  41.096  -0.808  -0.665
  153    H    VAL  20           HN       VAL  20  43.846   0.688  -1.201
  154    HA   VAL  20           HA       VAL  20  45.668  -1.587  -0.816
  155    HB   VAL  20           HB       VAL  20  46.412   1.273  -0.206
  156   HG11  VAL  20          HG11      VAL  20  48.694   0.467  -0.674
  157   HG12  VAL  20          HG12      VAL  20  48.049  -1.137  -1.024
  158   HG13  VAL  20          HG13      VAL  20  47.923  -0.472   0.604
  159   HG21  VAL  20          HG21      VAL  20  45.611   1.279  -2.526
  160   HG22  VAL  20          HG22      VAL  20  46.677  -0.074  -2.905
  161   HG23  VAL  20          HG23      VAL  20  47.363   1.491  -2.464
  162    HA   PRO  21           HA       PRO  21  44.332  -1.575   3.504
  163    HB2  PRO  21           HB2      PRO  21  46.633  -3.257   4.151
  164    HB3  PRO  21           HB1      PRO  21  44.913  -3.678   4.157
  165    HG2  PRO  21           HG2      PRO  21  46.640  -4.695   2.365
  166    HG3  PRO  21           HG1      PRO  21  44.930  -4.396   1.995
  167    HD2  PRO  21           HD2      PRO  21  47.328  -2.756   1.273
  168    HD3  PRO  21           HD1      PRO  21  45.905  -3.175   0.298
  169    H    ASP  22           HN       ASP  22  44.838  -0.540   5.387
  170    HA   ASP  22           HA       ASP  22  47.426   0.864   5.470
  171    HB2  ASP  22           HB2      ASP  22  44.710   1.683   6.508
  172    HB3  ASP  22           HB1      ASP  22  46.195   2.512   6.963
  173    H    ASP  23           HN       ASP  23  44.934  -0.581   7.584
  174    HA   ASP  23           HA       ASP  23  47.063  -1.480   9.389
  175    HB2  ASP  23           HB2      ASP  23  44.605   0.069  10.229
  176    HB3  ASP  23           HB1      ASP  23  45.570  -0.880  11.355
  177    H    ASP  24           HN       ASP  24  43.546  -1.630   8.763
  178    HA   ASP  24           HA       ASP  24  43.645  -4.515   9.317
  179    HB2  ASP  24           HB2      ASP  24  41.698  -2.413  10.137
  180    HB3  ASP  24           HB1      ASP  24  41.088  -4.025   9.803
  181    H    TYR  25           HN       TYR  25  42.020  -1.962   7.451
  182    HA   TYR  25           HA       TYR  25  41.474  -3.940   5.340
  183    HB2  TYR  25           HB2      TYR  25  39.653  -1.747   6.342
  184    HB3  TYR  25           HB1      TYR  25  39.407  -2.574   4.807
  185    HD1  TYR  25           HD1      TYR  25  38.655  -4.886   4.745
  186    HD2  TYR  25           HD2      TYR  25  39.258  -2.888   8.452
  187    HE1  TYR  25           HE1      TYR  25  37.406  -6.662   5.899
  188    HE2  TYR  25           HE2      TYR  25  38.011  -4.658   9.616
  189    HH   TYR  25           HH       TYR  25  37.224  -7.617   8.156
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  26.020  -3.801   2.191
    2    H2   PHE   1           HT2      PHE   1  26.623  -4.606   3.549
    3    H3   PHE   1           HT3      PHE   1  27.545  -4.533   2.133
    4    HA   PHE   1           HA       PHE   1  26.784  -2.218   3.816
    5    HB2  PHE   1           HB2      PHE   1  29.398  -3.708   3.504
    6    HB3  PHE   1           HB1      PHE   1  29.269  -2.123   4.256
    7    HD1  PHE   1           HD1      PHE   1  28.561  -5.690   4.609
    8    HD2  PHE   1           HD2      PHE   1  28.249  -1.858   6.436
    9    HE1  PHE   1           HE1      PHE   1  28.059  -6.763   6.765
   10    HE2  PHE   1           HE2      PHE   1  27.748  -2.924   8.594
   11    HZ   PHE   1           HZ       PHE   1  27.653  -5.380   8.762
   12    H    GLY   2           HN       GLY   2  27.315  -0.226   3.043
   13    HA2  GLY   2           HA2      GLY   2  28.465   1.281   1.597
   14    HA3  GLY   2           HA1      GLY   2  28.721  -0.040   0.468
   15    H    VAL   3           HN       VAL   3  27.604   0.155  -1.334
   16    HA   VAL   3           HA       VAL   3  24.836   1.111  -1.212
   17    HB   VAL   3           HB       VAL   3  25.240   2.340  -3.422
   18   HG11  VAL   3          HG11      VAL   3  24.726   3.478  -1.350
   19   HG12  VAL   3          HG12      VAL   3  25.926   4.390  -2.263
   20   HG13  VAL   3          HG13      VAL   3  26.422   3.425  -0.873
   21   HG21  VAL   3          HG21      VAL   3  27.423   1.644  -4.063
   22   HG22  VAL   3          HG22      VAL   3  28.098   2.080  -2.491
   23   HG23  VAL   3          HG23      VAL   3  27.556   3.341  -3.599
   24    H    LYS   4           HN       LYS   4  27.327  -0.479  -3.177
   25    HA   LYS   4           HA       LYS   4  25.213  -2.047  -4.482
   26    HB2  LYS   4           HB2      LYS   4  27.752  -0.868  -5.517
   27    HB3  LYS   4           HB1      LYS   4  27.179  -2.370  -6.214
   28    HG2  LYS   4           HG2      LYS   4  25.057  -1.299  -6.787
   29    HG3  LYS   4           HG1      LYS   4  25.636   0.211  -6.082
   30    HD2  LYS   4           HD2      LYS   4  27.449   0.286  -7.719
   31    HD3  LYS   4           HD1      LYS   4  26.893  -1.238  -8.414
   32    HE2  LYS   4           HE2      LYS   4  26.049   0.460  -9.821
   33    HE3  LYS   4           HE1      LYS   4  24.684  -0.084  -8.846
   34    HZ1  LYS   4           HZ1      LYS   4  26.309   2.351  -8.337
   35    HZ2  LYS   4           HZ2      LYS   4  25.000   1.831  -7.401
   36    HZ3  LYS   4           HZ3      LYS   4  24.754   2.323  -9.001
   37    H    ASP   5           HN       ASP   5  28.598  -2.155  -3.362
   38    HA   ASP   5           HA       ASP   5  28.204  -4.962  -2.599
   39    HB2  ASP   5           HB2      ASP   5  29.528  -4.562  -4.829
   40    HB3  ASP   5           HB1      ASP   5  30.842  -4.098  -3.752
   41    H    GLY   6           HN       GLY   6  30.416  -2.162  -2.366
   42    HA2  GLY   6           HA2      GLY   6  31.123  -1.111  -0.391
   43    HA3  GLY   6           HA1      GLY   6  30.511  -2.475   0.531
   44    H    LYS   7           HN       LYS   7  33.185  -1.251  -1.370
   45    HA   LYS   7           HA       LYS   7  34.861  -3.502  -0.501
   46    HB2  LYS   7           HB2      LYS   7  34.626  -2.585  -2.988
   47    HB3  LYS   7           HB1      LYS   7  35.858  -1.460  -2.437
   48    HG2  LYS   7           HG2      LYS   7  37.337  -3.291  -1.884
   49    HG3  LYS   7           HG1      LYS   7  36.089  -4.461  -2.313
   50    HD2  LYS   7           HD2      LYS   7  36.124  -3.620  -4.625
   51    HD3  LYS   7           HD1      LYS   7  37.405  -2.491  -4.183
   52    HE2  LYS   7           HE2      LYS   7  38.869  -4.349  -3.612
   53    HE3  LYS   7           HE1      LYS   7  37.584  -5.496  -3.992
   54    HZ1  LYS   7           HZ1      LYS   7  38.865  -3.632  -5.918
   55    HZ2  LYS   7           HZ2      LYS   7  37.629  -4.728  -6.284
   56    HZ3  LYS   7           HZ3      LYS   7  39.151  -5.298  -5.813
   57    H    CYS   8           HN       CYS   8  35.000   0.065  -0.804
   58    HA   CYS   8           HA       CYS   8  37.114   0.173   1.187
   59    HB2  CYS   8           HB2      CYS   8  35.981   2.624  -0.078
   60    HB3  CYS   8           HB1      CYS   8  37.636   2.253   0.361
   61    HA   PRO   9           HA       PRO   9  33.905   1.194   4.229
   62    HB2  PRO   9           HB2      PRO   9  35.931   1.438   6.278
   63    HB3  PRO   9           HB1      PRO   9  34.788   0.110   6.019
   64    HG2  PRO   9           HG2      PRO   9  37.485  -0.117   5.690
   65    HG3  PRO   9           HG1      PRO   9  36.286  -1.138   4.872
   66    HD2  PRO   9           HD2      PRO   9  37.784   1.226   3.819
   67    HD3  PRO   9           HD1      PRO   9  37.378  -0.309   3.024
   68    H    SER  10           HN       SER  10  34.998   3.375   2.627
   69    HA   SER  10           HA       SER  10  35.037   5.632   2.537
   70    HB2  SER  10           HB2      SER  10  33.775   5.494   5.290
   71    HB3  SER  10           HB1      SER  10  33.889   6.946   4.297
   72    HG   SER  10           HG       SER  10  32.636   5.836   2.713
   73    H    GLY  11           HN       GLY  11  37.036   6.285   2.410
   74    HA2  GLY  11           HA2      GLY  11  38.713   7.744   3.372
   75    HA3  GLY  11           HA1      GLY  11  38.494   6.905   4.903
   76    H    ARG  12           HN       ARG  12  39.000   5.741   1.594
   77    HA   ARG  12           HA       ARG  12  41.408   4.305   2.495
   78    HB2  ARG  12           HB2      ARG  12  39.130   3.061   1.906
   79    HB3  ARG  12           HB1      ARG  12  39.728   3.247   0.267
   80    HG2  ARG  12           HG2      ARG  12  41.639   1.935   0.716
   81    HG3  ARG  12           HG1      ARG  12  41.348   1.979   2.455
   82    HD2  ARG  12           HD2      ARG  12  39.295   0.689   2.142
   83    HD3  ARG  12           HD1      ARG  12  39.574   0.656   0.404
   84    HE   ARG  12           HE       ARG  12  41.810  -0.414   1.745
   85   HH11  ARG  12          HH11      ARG  12  38.788  -2.957   1.010
   86   HH12  ARG  12          HH12      ARG  12  38.486  -1.251   0.977
   87   HH21  ARG  12          HH21      ARG  12  40.876  -3.746   1.464
   88   HH22  ARG  12          HH22      ARG  12  42.179  -2.652   1.784
   89    H    VAL  13           HN       VAL  13  42.928   3.777   0.702
   90    HA   VAL  13           HA       VAL  13  43.205   6.071  -1.068
   91    HB   VAL  13           HB       VAL  13  45.130   5.336   0.327
   92   HG11  VAL  13          HG11      VAL  13  45.211   2.910  -1.460
   93   HG12  VAL  13          HG12      VAL  13  44.859   2.930   0.267
   94   HG13  VAL  13          HG13      VAL  13  46.462   3.383  -0.312
   95   HG21  VAL  13          HG21      VAL  13  46.849   5.511  -1.417
   96   HG22  VAL  13          HG22      VAL  13  45.546   6.679  -1.641
   97   HG23  VAL  13          HG23      VAL  13  45.615   5.231  -2.647
   98    H    ARG  14           HN       ARG  14  42.901   6.051  -3.207
   99    HA   ARG  14           HA       ARG  14  42.143   3.504  -4.465
  100    HB2  ARG  14           HB2      ARG  14  41.378   6.355  -5.087
  101    HB3  ARG  14           HB1      ARG  14  41.069   5.035  -6.205
  102    HG2  ARG  14           HG2      ARG  14  40.096   4.799  -3.396
  103    HG3  ARG  14           HG1      ARG  14  39.225   5.842  -4.521
  104    HD2  ARG  14           HD2      ARG  14  39.894   2.968  -5.131
  105    HD3  ARG  14           HD1      ARG  14  38.400   3.455  -4.334
  106    HE   ARG  14           HE       ARG  14  38.752   4.920  -6.727
  107   HH11  ARG  14          HH11      ARG  14  36.915   1.362  -7.041
  108   HH12  ARG  14          HH12      ARG  14  37.865   1.701  -5.634
  109   HH21  ARG  14          HH21      ARG  14  37.505   4.453  -8.558
  110   HH22  ARG  14          HH22      ARG  14  36.712   2.919  -8.696
  111    H    ARG  15           HN       ARG  15  43.623   2.608  -5.675
  112    HA   ARG  15           HA       ARG  15  45.181   4.215  -7.557
  113    HB2  ARG  15           HB2      ARG  15  46.363   3.439  -5.243
  114    HB3  ARG  15           HB1      ARG  15  46.684   2.026  -6.238
  115    HG2  ARG  15           HG2      ARG  15  47.693   3.530  -7.942
  116    HG3  ARG  15           HG1      ARG  15  47.484   4.870  -6.817
  117    HD2  ARG  15           HD2      ARG  15  48.895   3.723  -5.185
  118    HD3  ARG  15           HD1      ARG  15  49.097   2.373  -6.302
  119    HE   ARG  15           HE       ARG  15  49.900   4.740  -7.578
  120   HH11  ARG  15          HH11      ARG  15  52.660   3.028  -5.213
  121   HH12  ARG  15          HH12      ARG  15  50.990   2.625  -4.995
  122   HH21  ARG  15          HH21      ARG  15  52.093   5.251  -7.848
  123   HH22  ARG  15          HH22      ARG  15  53.282   4.513  -6.827
  124    H    LEU  16           HN       LEU  16  45.520   3.231  -9.493
  125    HA   LEU  16           HA       LEU  16  45.390   1.781 -11.223
  126    HB2  LEU  16           HB2      LEU  16  45.452  -0.298  -9.044
  127    HB3  LEU  16           HB1      LEU  16  45.407  -0.707 -10.748
  128    HG   LEU  16           HG       LEU  16  47.531   0.948 -10.750
  129   HD11  LEU  16          HD11      LEU  16  47.645  -0.424  -8.069
  130   HD12  LEU  16          HD12      LEU  16  47.371   1.300  -8.313
  131   HD13  LEU  16          HD13      LEU  16  48.901   0.573  -8.803
  132   HD21  LEU  16          HD21      LEU  16  47.551  -1.987 -10.056
  133   HD22  LEU  16          HD22      LEU  16  48.921  -1.074 -10.688
  134   HD23  LEU  16          HD23      LEU  16  47.479  -1.294 -11.677
  135    H    GLY  17           HN       GLY  17  42.881   2.249  -9.134
  136    HA2  GLY  17           HA2      GLY  17  40.662   2.380 -10.166
  137    HA3  GLY  17           HA1      GLY  17  41.004   0.841 -10.935
  138    H    ILE  18           HN       ILE  18  42.247   0.533  -7.928
  139    HA   ILE  18           HA       ILE  18  39.735  -0.167  -6.608
  140    HB   ILE  18           HB       ILE  18  40.810  -2.345  -5.794
  141   HG12  ILE  18          HG12      ILE  18  42.254  -3.294  -7.836
  142   HG13  ILE  18          HG11      ILE  18  42.721  -1.604  -7.975
  143   HG21  ILE  18          HG21      ILE  18  39.979  -3.588  -7.749
  144   HG22  ILE  18          HG22      ILE  18  39.962  -2.089  -8.680
  145   HG23  ILE  18          HG23      ILE  18  38.894  -2.274  -7.288
  146   HD11  ILE  18          HD11      ILE  18  44.315  -2.856  -6.644
  147   HD12  ILE  18          HD12      ILE  18  43.033  -3.328  -5.528
  148   HD13  ILE  18          HD13      ILE  18  43.504  -1.634  -5.663
  149    H    CYS  19           HN       CYS  19  39.788  -0.130  -4.362
  150    HA   CYS  19           HA       CYS  19  42.009   1.389  -3.255
  151    HB2  CYS  19           HB2      CYS  19  40.562   1.790  -1.342
  152    HB3  CYS  19           HB1      CYS  19  39.709   2.150  -2.835
  153    H    VAL  20           HN       VAL  20  43.273   0.796  -1.562
  154    HA   VAL  20           HA       VAL  20  43.014  -1.932  -0.513
  155    HB   VAL  20           HB       VAL  20  45.570  -2.115  -0.608
  156   HG11  VAL  20          HG11      VAL  20  45.523  -3.004  -2.902
  157   HG12  VAL  20          HG12      VAL  20  43.993  -2.175  -3.186
  158   HG13  VAL  20          HG13      VAL  20  44.085  -3.468  -1.990
  159   HG21  VAL  20          HG21      VAL  20  45.223   0.039  -2.712
  160   HG22  VAL  20          HG22      VAL  20  46.693  -0.894  -2.434
  161   HG23  VAL  20          HG23      VAL  20  46.101   0.208  -1.191
  162    HA   PRO  21           HA       PRO  21  43.979  -0.062   3.432
  163    HB2  PRO  21           HB2      PRO  21  45.631  -2.284   4.348
  164    HB3  PRO  21           HB1      PRO  21  43.986  -1.849   4.843
  165    HG2  PRO  21           HG2      PRO  21  44.533  -4.079   3.437
  166    HG3  PRO  21           HG1      PRO  21  43.005  -3.188   3.280
  167    HD2  PRO  21           HD2      PRO  21  45.409  -3.133   1.493
  168    HD3  PRO  21           HD1      PRO  21  43.688  -3.203   1.065
  169    H    ASP  22           HN       ASP  22  45.492   1.137   4.531
  170    HA   ASP  22           HA       ASP  22  48.191   1.202   3.364
  171    HB2  ASP  22           HB2      ASP  22  46.559   3.251   3.337
  172    HB3  ASP  22           HB1      ASP  22  47.052   3.437   5.017
  173    H    ASP  23           HN       ASP  23  46.468   1.513   6.474
  174    HA   ASP  23           HA       ASP  23  48.808   0.361   7.822
  175    HB2  ASP  23           HB2      ASP  23  47.320   2.851   8.666
  176    HB3  ASP  23           HB1      ASP  23  48.360   1.942   9.759
  177    H    ASP  24           HN       ASP  24  45.379   1.270   8.170
  178    HA   ASP  24           HA       ASP  24  44.909  -1.267   9.578
  179    HB2  ASP  24           HB2      ASP  24  45.029   0.883  11.078
  180    HB3  ASP  24           HB1      ASP  24  43.423   1.200  10.429
  181    H    TYR  25           HN       TYR  25  43.448   1.494   7.878
  182    HA   TYR  25           HA       TYR  25  41.283  -0.277   6.955
  183    HB2  TYR  25           HB2      TYR  25  41.337   2.724   7.311
  184    HB3  TYR  25           HB1      TYR  25  40.041   1.872   6.481
  185    HD1  TYR  25           HD1      TYR  25  38.465   0.489   7.723
  186    HD2  TYR  25           HD2      TYR  25  41.586   2.578   9.722
  187    HE1  TYR  25           HE1      TYR  25  37.332   0.113   9.873
  188    HE2  TYR  25           HE2      TYR  25  40.463   2.206  11.877
  189    HH   TYR  25           HH       TYR  25  37.903   0.015  12.263
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  26.519  -6.814  -4.180
    2    H2   PHE   1           HT2      PHE   1  25.097  -6.340  -4.963
    3    H3   PHE   1           HT3      PHE   1  25.921  -5.244  -3.973
    4    HA   PHE   1           HA       PHE   1  26.950  -6.401  -6.496
    5    HB2  PHE   1           HB2      PHE   1  25.833  -3.668  -5.845
    6    HB3  PHE   1           HB1      PHE   1  26.764  -4.009  -7.299
    7    HD1  PHE   1           HD1      PHE   1  25.830  -5.339  -9.092
    8    HD2  PHE   1           HD2      PHE   1  23.583  -4.508  -5.574
    9    HE1  PHE   1           HE1      PHE   1  23.777  -6.060 -10.237
   10    HE2  PHE   1           HE2      PHE   1  21.526  -5.229  -6.715
   11    HZ   PHE   1           HZ       PHE   1  21.620  -6.007  -9.050
   12    H    GLY   2           HN       GLY   2  27.453  -4.159  -3.794
   13    HA2  GLY   2           HA2      GLY   2  30.157  -4.682  -3.450
   14    HA3  GLY   2           HA1      GLY   2  30.058  -3.323  -4.561
   15    H    VAL   3           HN       VAL   3  30.749  -3.909  -1.557
   16    HA   VAL   3           HA       VAL   3  30.536  -2.992   0.505
   17    HB   VAL   3           HB       VAL   3  30.817  -0.498   0.592
   18   HG11  VAL   3          HG11      VAL   3  32.707  -1.997   0.595
   19   HG12  VAL   3          HG12      VAL   3  33.083  -0.554  -0.349
   20   HG13  VAL   3          HG13      VAL   3  32.691  -2.066  -1.167
   21   HG21  VAL   3          HG21      VAL   3  31.358   0.697  -1.487
   22   HG22  VAL   3          HG22      VAL   3  29.674   0.173  -1.454
   23   HG23  VAL   3          HG23      VAL   3  30.854  -0.710  -2.424
   24    H    LYS   4           HN       LYS   4  28.786  -3.421   1.621
   25    HA   LYS   4           HA       LYS   4  26.291  -2.005   1.059
   26    HB2  LYS   4           HB2      LYS   4  25.293  -3.632   2.709
   27    HB3  LYS   4           HB1      LYS   4  25.953  -4.348   1.251
   28    HG2  LYS   4           HG2      LYS   4  27.956  -5.025   2.495
   29    HG3  LYS   4           HG1      LYS   4  27.280  -4.311   3.960
   30    HD2  LYS   4           HD2      LYS   4  25.390  -5.859   3.842
   31    HD3  LYS   4           HD1      LYS   4  26.059  -6.568   2.372
   32    HE2  LYS   4           HE2      LYS   4  28.049  -7.263   3.616
   33    HE3  LYS   4           HE1      LYS   4  27.378  -6.555   5.085
   34    HZ1  LYS   4           HZ1      LYS   4  27.014  -8.938   5.009
   35    HZ2  LYS   4           HZ2      LYS   4  26.185  -8.796   3.543
   36    HZ3  LYS   4           HZ3      LYS   4  25.536  -8.116   4.950
   37    H    ASP   5           HN       ASP   5  28.554  -2.556   3.736
   38    HA   ASP   5           HA       ASP   5  27.179  -0.571   5.372
   39    HB2  ASP   5           HB2      ASP   5  29.294  -2.635   5.927
   40    HB3  ASP   5           HB1      ASP   5  28.958  -1.345   7.069
   41    H    GLY   6           HN       GLY   6  30.330  -1.184   3.867
   42    HA2  GLY   6           HA2      GLY   6  31.295   0.955   2.903
   43    HA3  GLY   6           HA1      GLY   6  31.153   1.570   4.544
   44    H    LYS   7           HN       LYS   7  32.861  -0.614   2.422
   45    HA   LYS   7           HA       LYS   7  34.814  -1.233   4.518
   46    HB2  LYS   7           HB2      LYS   7  33.706  -2.973   2.900
   47    HB3  LYS   7           HB1      LYS   7  34.903  -2.395   1.752
   48    HG2  LYS   7           HG2      LYS   7  36.690  -3.017   3.302
   49    HG3  LYS   7           HG1      LYS   7  35.486  -3.599   4.453
   50    HD2  LYS   7           HD2      LYS   7  34.725  -5.256   2.824
   51    HD3  LYS   7           HD1      LYS   7  35.916  -4.668   1.664
   52    HE2  LYS   7           HE2      LYS   7  37.716  -5.299   3.197
   53    HE3  LYS   7           HE1      LYS   7  36.525  -5.888   4.355
   54    HZ1  LYS   7           HZ1      LYS   7  36.956  -6.961   1.619
   55    HZ2  LYS   7           HZ2      LYS   7  35.812  -7.527   2.728
   56    HZ3  LYS   7           HZ3      LYS   7  37.463  -7.693   3.058
   57    H    CYS   8           HN       CYS   8  34.694  -0.017   1.159
   58    HA   CYS   8           HA       CYS   8  37.410   0.995   1.439
   59    HB2  CYS   8           HB2      CYS   8  35.637   0.484  -0.927
   60    HB3  CYS   8           HB1      CYS   8  37.079   1.475  -1.062
   61    HA   PRO   9           HA       PRO   9  35.007   5.046   0.280
   62    HB2  PRO   9           HB2      PRO   9  32.315   5.148   0.576
   63    HB3  PRO   9           HB1      PRO   9  33.084   4.581  -0.918
   64    HG2  PRO   9           HG2      PRO   9  31.901   2.993   1.310
   65    HG3  PRO   9           HG1      PRO   9  31.759   2.758  -0.445
   66    HD2  PRO   9           HD2      PRO   9  33.472   1.322   1.100
   67    HD3  PRO   9           HD1      PRO   9  33.779   1.698  -0.605
   68    H    SER  10           HN       SER  10  35.636   3.733   2.927
   69    HA   SER  10           HA       SER  10  34.194   5.578   4.719
   70    HB2  SER  10           HB2      SER  10  33.929   3.127   5.192
   71    HB3  SER  10           HB1      SER  10  35.662   3.047   5.503
   72    HG   SER  10           HG       SER  10  34.101   4.943   6.863
   73    H    GLY  11           HN       GLY  11  37.369   4.220   3.938
   74    HA2  GLY  11           HA2      GLY  11  38.781   6.620   4.345
   75    HA3  GLY  11           HA1      GLY  11  38.929   5.635   5.793
   76    H    ARG  12           HN       ARG  12  38.864   4.842   2.334
   77    HA   ARG  12           HA       ARG  12  41.466   3.500   2.631
   78    HB2  ARG  12           HB2      ARG  12  39.137   2.225   2.204
   79    HB3  ARG  12           HB1      ARG  12  39.558   2.595   0.540
   80    HG2  ARG  12           HG2      ARG  12  40.582   0.588   0.694
   81    HG3  ARG  12           HG1      ARG  12  41.887   1.581   1.343
   82    HD2  ARG  12           HD2      ARG  12  41.143   1.099   3.613
   83    HD3  ARG  12           HD1      ARG  12  39.810   0.136   2.981
   84    HE   ARG  12           HE       ARG  12  42.317  -0.803   2.020
   85   HH11  ARG  12          HH11      ARG  12  40.901  -2.388   5.428
   86   HH12  ARG  12          HH12      ARG  12  40.251  -0.886   4.859
   87   HH21  ARG  12          HH21      ARG  12  42.538  -3.451   4.254
   88   HH22  ARG  12          HH22      ARG  12  43.147  -2.768   2.782
   89    H    VAL  13           HN       VAL  13  42.814   3.460   0.744
   90    HA   VAL  13           HA       VAL  13  42.533   5.849  -0.897
   91    HB   VAL  13           HB       VAL  13  44.683   5.329   0.291
   92   HG11  VAL  13          HG11      VAL  13  44.931   3.117  -1.743
   93   HG12  VAL  13          HG12      VAL  13  44.825   2.940   0.009
   94   HG13  VAL  13          HG13      VAL  13  46.241   3.702  -0.715
   95   HG21  VAL  13          HG21      VAL  13  44.860   5.590  -2.707
   96   HG22  VAL  13          HG22      VAL  13  46.158   5.958  -1.571
   97   HG23  VAL  13          HG23      VAL  13  44.668   6.902  -1.545
   98    H    ARG  14           HN       ARG  14  42.263   5.871  -3.086
   99    HA   ARG  14           HA       ARG  14  41.777   3.273  -4.385
  100    HB2  ARG  14           HB2      ARG  14  40.450   5.952  -4.788
  101    HB3  ARG  14           HB1      ARG  14  40.305   4.649  -5.958
  102    HG2  ARG  14           HG2      ARG  14  39.622   4.099  -3.111
  103    HG3  ARG  14           HG1      ARG  14  38.485   5.013  -4.100
  104    HD2  ARG  14           HD2      ARG  14  39.619   2.351  -4.938
  105    HD3  ARG  14           HD1      ARG  14  38.130   2.508  -4.010
  106    HE   ARG  14           HE       ARG  14  38.032   4.123  -6.339
  107   HH11  ARG  14          HH11      ARG  14  36.771   0.324  -6.682
  108   HH12  ARG  14          HH12      ARG  14  37.769   0.766  -5.338
  109   HH21  ARG  14          HH21      ARG  14  36.724   3.521  -8.091
  110   HH22  ARG  14          HH22      ARG  14  36.180   1.883  -8.238
  111    H    ARG  15           HN       ARG  15  43.389   2.733  -5.650
  112    HA   ARG  15           HA       ARG  15  44.454   4.684  -7.561
  113    HB2  ARG  15           HB2      ARG  15  46.078   2.951  -5.698
  114    HB3  ARG  15           HB1      ARG  15  46.749   3.605  -7.185
  115    HG2  ARG  15           HG2      ARG  15  46.281   5.877  -6.388
  116    HG3  ARG  15           HG1      ARG  15  45.641   5.207  -4.887
  117    HD2  ARG  15           HD2      ARG  15  47.820   4.203  -4.408
  118    HD3  ARG  15           HD1      ARG  15  48.459   4.867  -5.911
  119    HE   ARG  15           HE       ARG  15  47.387   6.946  -4.338
  120   HH11  ARG  15          HH11      ARG  15  51.180   5.890  -3.537
  121   HH12  ARG  15          HH12      ARG  15  50.158   4.788  -4.398
  122   HH21  ARG  15          HH21      ARG  15  48.743   8.372  -3.212
  123   HH22  ARG  15          HH22      ARG  15  50.378   7.917  -2.867
  124    H    LEU  16           HN       LEU  16  44.579   3.902  -9.584
  125    HA   LEU  16           HA       LEU  16  44.487   2.545 -11.386
  126    HB2  LEU  16           HB2      LEU  16  45.708   0.598  -9.447
  127    HB3  LEU  16           HB1      LEU  16  45.375   0.158 -11.110
  128    HG   LEU  16           HG       LEU  16  46.808   2.283 -11.666
  129   HD11  LEU  16          HD11      LEU  16  47.057   3.133  -9.427
  130   HD12  LEU  16          HD12      LEU  16  48.630   2.607 -10.028
  131   HD13  LEU  16          HD13      LEU  16  47.743   1.602  -8.882
  132   HD21  LEU  16          HD21      LEU  16  47.400   0.019 -12.295
  133   HD22  LEU  16          HD22      LEU  16  48.003  -0.297 -10.668
  134   HD23  LEU  16          HD23      LEU  16  48.820   0.879 -11.699
  135    H    GLY  17           HN       GLY  17  42.305   2.439  -9.122
  136    HA2  GLY  17           HA2      GLY  17  40.071   1.769  -9.379
  137    HA3  GLY  17           HA1      GLY  17  40.578   0.617 -10.602
  138    H    ILE  18           HN       ILE  18  42.304   0.659  -7.607
  139    HA   ILE  18           HA       ILE  18  40.722  -1.586  -6.569
  140    HB   ILE  18           HB       ILE  18  42.914  -2.719  -5.877
  141   HG12  ILE  18          HG12      ILE  18  44.663  -2.330  -7.838
  142   HG13  ILE  18          HG11      ILE  18  43.968  -0.716  -7.849
  143   HG21  ILE  18          HG21      ILE  18  43.039  -3.942  -8.007
  144   HG22  ILE  18          HG22      ILE  18  42.099  -2.668  -8.781
  145   HG23  ILE  18          HG23      ILE  18  41.374  -3.647  -7.508
  146   HD11  ILE  18          HD11      ILE  18  44.549  -0.461  -5.484
  147   HD12  ILE  18          HD12      ILE  18  45.964  -0.799  -6.481
  148   HD13  ILE  18          HD13      ILE  18  45.257  -2.077  -5.493
  149    H    CYS  19           HN       CYS  19  41.085  -2.085  -4.311
  150    HA   CYS  19           HA       CYS  19  41.578   0.340  -2.765
  151    HB2  CYS  19           HB2      CYS  19  40.229  -2.279  -2.125
  152    HB3  CYS  19           HB1      CYS  19  40.585  -1.083  -0.887
  153    H    VAL  20           HN       VAL  20  43.308   0.648  -1.545
  154    HA   VAL  20           HA       VAL  20  45.065  -1.648  -0.954
  155    HB   VAL  20           HB       VAL  20  46.081   1.191  -1.134
  156   HG11  VAL  20          HG11      VAL  20  47.439  -1.499  -1.397
  157   HG12  VAL  20          HG12      VAL  20  47.552  -0.398  -0.025
  158   HG13  VAL  20          HG13      VAL  20  48.240   0.060  -1.585
  159   HG21  VAL  20          HG21      VAL  20  45.979  -0.799  -3.411
  160   HG22  VAL  20          HG22      VAL  20  46.829   0.745  -3.438
  161   HG23  VAL  20          HG23      VAL  20  45.070   0.709  -3.311
  162    HA   PRO  21           HA       PRO  21  44.203  -0.580   3.345
  163    HB2  PRO  21           HB2      PRO  21  46.672  -1.987   4.101
  164    HB3  PRO  21           HB1      PRO  21  44.991  -2.386   4.495
  165    HG2  PRO  21           HG2      PRO  21  46.439  -3.874   2.809
  166    HG3  PRO  21           HG1      PRO  21  44.692  -3.639   2.609
  167    HD2  PRO  21           HD2      PRO  21  46.950  -2.328   1.150
  168    HD3  PRO  21           HD1      PRO  21  45.401  -2.936   0.530
  169    H    ASP  22           HN       ASP  22  44.590   1.343   4.248
  170    HA   ASP  22           HA       ASP  22  47.253   2.550   4.009
  171    HB2  ASP  22           HB2      ASP  22  44.979   3.669   3.299
  172    HB3  ASP  22           HB1      ASP  22  44.863   4.046   5.013
  173    H    ASP  23           HN       ASP  23  45.217   1.052   6.310
  174    HA   ASP  23           HA       ASP  23  46.466   2.376   8.597
  175    HB2  ASP  23           HB2      ASP  23  44.190   0.406   8.373
  176    HB3  ASP  23           HB1      ASP  23  44.867   0.910   9.917
  177    H    ASP  24           HN       ASP  24  46.332  -0.771   7.008
  178    HA   ASP  24           HA       ASP  24  48.002  -2.033   9.012
  179    HB2  ASP  24           HB2      ASP  24  46.672  -2.986   6.487
  180    HB3  ASP  24           HB1      ASP  24  47.829  -3.984   7.353
  181    H    TYR  25           HN       TYR  25  48.276  -0.955   5.646
  182    HA   TYR  25           HA       TYR  25  51.192  -1.352   5.816
  183    HB2  TYR  25           HB2      TYR  25  49.362  -1.644   3.430
  184    HB3  TYR  25           HB1      TYR  25  51.112  -1.538   3.290
  185    HD1  TYR  25           HD1      TYR  25  52.530  -3.382   3.988
  186    HD2  TYR  25           HD2      TYR  25  48.301  -3.627   4.362
  187    HE1  TYR  25           HE1      TYR  25  52.709  -5.809   4.342
  188    HE2  TYR  25           HE2      TYR  25  48.466  -6.054   4.718
  189    HH   TYR  25           HH       TYR  25  51.397  -7.621   5.377
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  26.672   6.807   6.305
    2    H2   PHE   1           HT2      PHE   1  27.584   6.801   4.880
    3    H3   PHE   1           HT3      PHE   1  28.036   7.798   6.170
    4    HA   PHE   1           HA       PHE   1  29.461   5.865   6.009
    5    HB2  PHE   1           HB2      PHE   1  29.131   5.039   8.375
    6    HB3  PHE   1           HB1      PHE   1  29.253   6.784   8.202
    7    HD1  PHE   1           HD1      PHE   1  27.050   3.986   9.032
    8    HD2  PHE   1           HD2      PHE   1  27.349   8.214   8.641
    9    HE1  PHE   1           HE1      PHE   1  24.940   4.246  10.270
   10    HE2  PHE   1           HE2      PHE   1  25.239   8.480   9.879
   11    HZ   PHE   1           HZ       PHE   1  24.033   6.495  10.696
   12    H    GLY   2           HN       GLY   2  29.760   3.645   5.993
   13    HA2  GLY   2           HA2      GLY   2  28.283   1.511   6.470
   14    HA3  GLY   2           HA1      GLY   2  27.440   2.127   5.057
   15    H    VAL   3           HN       VAL   3  27.952   0.977   3.335
   16    HA   VAL   3           HA       VAL   3  30.766   0.514   2.710
   17    HB   VAL   3           HB       VAL   3  30.163  -1.828   1.870
   18   HG11  VAL   3          HG11      VAL   3  30.225  -1.291   4.834
   19   HG12  VAL   3          HG12      VAL   3  31.619  -1.449   3.766
   20   HG13  VAL   3          HG13      VAL   3  30.576  -2.839   4.068
   21   HG21  VAL   3          HG21      VAL   3  27.728  -1.696   2.055
   22   HG22  VAL   3          HG22      VAL   3  27.860  -1.476   3.801
   23   HG23  VAL   3          HG23      VAL   3  28.360  -3.000   3.063
   24    H    LYS   4           HN       LYS   4  31.059   1.534   0.867
   25    HA   LYS   4           HA       LYS   4  28.931   1.618  -1.132
   26    HB2  LYS   4           HB2      LYS   4  31.401   3.250  -0.638
   27    HB3  LYS   4           HB1      LYS   4  30.603   3.292  -2.200
   28    HG2  LYS   4           HG2      LYS   4  28.540   4.048  -1.138
   29    HG3  LYS   4           HG1      LYS   4  29.331   3.988   0.438
   30    HD2  LYS   4           HD2      LYS   4  30.940   5.676  -0.307
   31    HD3  LYS   4           HD1      LYS   4  30.153   5.731  -1.886
   32    HE2  LYS   4           HE2      LYS   4  28.706   6.325   0.686
   33    HE3  LYS   4           HE1      LYS   4  29.535   7.566  -0.253
   34    HZ1  LYS   4           HZ1      LYS   4  27.182   7.473  -0.789
   35    HZ2  LYS   4           HZ2      LYS   4  27.318   5.847  -1.235
   36    HZ3  LYS   4           HZ3      LYS   4  28.111   7.039  -2.136
   37    H    ASP   5           HN       ASP   5  32.385   0.802  -0.842
   38    HA   ASP   5           HA       ASP   5  32.347  -0.431  -3.488
   39    HB2  ASP   5           HB2      ASP   5  34.534   0.405  -1.605
   40    HB3  ASP   5           HB1      ASP   5  34.858  -0.676  -2.950
   41    H    GLY   6           HN       GLY   6  32.991  -1.228  -0.088
   42    HA2  GLY   6           HA2      GLY   6  32.040  -3.481   0.536
   43    HA3  GLY   6           HA1      GLY   6  32.982  -4.093  -0.816
   44    H    LYS   7           HN       LYS   7  35.383  -2.914  -0.564
   45    HA   LYS   7           HA       LYS   7  36.417  -4.100   1.891
   46    HB2  LYS   7           HB2      LYS   7  37.627  -3.324  -0.742
   47    HB3  LYS   7           HB1      LYS   7  38.648  -3.600   0.657
   48    HG2  LYS   7           HG2      LYS   7  37.766  -5.866   0.862
   49    HG3  LYS   7           HG1      LYS   7  36.733  -5.588  -0.541
   50    HD2  LYS   7           HD2      LYS   7  38.713  -5.231  -1.931
   51    HD3  LYS   7           HD1      LYS   7  39.750  -5.498  -0.529
   52    HE2  LYS   7           HE2      LYS   7  38.877  -7.776  -0.322
   53    HE3  LYS   7           HE1      LYS   7  37.842  -7.507  -1.724
   54    HZ1  LYS   7           HZ1      LYS   7  39.821  -7.181  -3.074
   55    HZ2  LYS   7           HZ2      LYS   7  39.851  -8.699  -2.329
   56    HZ3  LYS   7           HZ3      LYS   7  40.812  -7.444  -1.728
   57    H    CYS   8           HN       CYS   8  36.470  -1.026   0.124
   58    HA   CYS   8           HA       CYS   8  37.684   0.266   2.465
   59    HB2  CYS   8           HB2      CYS   8  38.115   2.156   0.772
   60    HB3  CYS   8           HB1      CYS   8  39.095   0.700   0.658
   61    HA   PRO   9           HA       PRO   9  33.560   2.123   2.887
   62    HB2  PRO   9           HB2      PRO   9  34.431   3.298   5.388
   63    HB3  PRO   9           HB1      PRO   9  33.316   1.944   5.142
   64    HG2  PRO   9           HG2      PRO   9  35.773   1.695   6.288
   65    HG3  PRO   9           HG1      PRO   9  34.928   0.384   5.444
   66    HD2  PRO   9           HD2      PRO   9  37.140   2.140   4.465
   67    HD3  PRO   9           HD1      PRO   9  36.869   0.403   4.213
   68    H    SER  10           HN       SER  10  35.362   3.451   1.214
   69    HA   SER  10           HA       SER  10  35.654   5.443   0.180
   70    HB2  SER  10           HB2      SER  10  33.839   6.587   2.315
   71    HB3  SER  10           HB1      SER  10  34.383   7.448   0.876
   72    HG   SER  10           HG       SER  10  32.514   6.617   0.215
   73    H    GLY  11           HN       GLY  11  36.268   5.317   3.621
   74    HA2  GLY  11           HA2      GLY  11  38.087   7.596   3.539
   75    HA3  GLY  11           HA1      GLY  11  37.673   6.644   4.955
   76    H    ARG  12           HN       ARG  12  38.933   5.607   1.805
   77    HA   ARG  12           HA       ARG  12  41.458   4.790   3.060
   78    HB2  ARG  12           HB2      ARG  12  39.437   2.988   2.467
   79    HB3  ARG  12           HB1      ARG  12  40.493   2.875   1.066
   80    HG2  ARG  12           HG2      ARG  12  42.350   2.255   2.419
   81    HG3  ARG  12           HG1      ARG  12  41.467   2.615   3.901
   82    HD2  ARG  12           HD2      ARG  12  39.827   0.823   3.203
   83    HD3  ARG  12           HD1      ARG  12  40.982   0.380   1.946
   84    HE   ARG  12           HE       ARG  12  42.450   0.358   4.242
   85   HH11  ARG  12          HH11      ARG  12  39.801  -2.662   4.241
   86   HH12  ARG  12          HH12      ARG  12  39.508  -1.279   3.241
   87   HH21  ARG  12          HH21      ARG  12  41.671  -2.764   5.543
   88   HH22  ARG  12          HH22      ARG  12  42.811  -1.460   5.544
   89    H    VAL  13           HN       VAL  13  42.972   3.917   1.163
   90    HA   VAL  13           HA       VAL  13  43.095   6.074  -0.787
   91    HB   VAL  13           HB       VAL  13  45.336   5.092  -1.388
   92   HG11  VAL  13          HG11      VAL  13  46.457   5.900   0.637
   93   HG12  VAL  13          HG12      VAL  13  44.913   5.880   1.489
   94   HG13  VAL  13          HG13      VAL  13  45.153   6.972   0.124
   95   HG21  VAL  13          HG21      VAL  13  44.953   2.783  -0.633
   96   HG22  VAL  13          HG22      VAL  13  44.874   3.347   1.038
   97   HG23  VAL  13          HG23      VAL  13  46.379   3.487   0.130
   98    H    ARG  14           HN       ARG  14  43.111   5.834  -3.003
   99    HA   ARG  14           HA       ARG  14  42.423   3.172  -4.051
  100    HB2  ARG  14           HB2      ARG  14  40.514   4.957  -3.863
  101    HB3  ARG  14           HB1      ARG  14  41.278   5.651  -5.288
  102    HG2  ARG  14           HG2      ARG  14  41.019   3.472  -6.438
  103    HG3  ARG  14           HG1      ARG  14  40.153   2.868  -5.025
  104    HD2  ARG  14           HD2      ARG  14  38.508   3.528  -6.582
  105    HD3  ARG  14           HD1      ARG  14  38.543   4.779  -5.342
  106    HE   ARG  14           HE       ARG  14  40.260   5.584  -7.376
  107   HH11  ARG  14          HH11      ARG  14  36.374   6.158  -8.215
  108   HH12  ARG  14          HH12      ARG  14  36.816   5.007  -6.999
  109   HH21  ARG  14          HH21      ARG  14  39.657   7.086  -8.964
  110   HH22  ARG  14          HH22      ARG  14  37.982   7.334  -9.326
  111    H    ARG  15           HN       ARG  15  43.330   2.579  -5.935
  112    HA   ARG  15           HA       ARG  15  44.875   4.466  -7.526
  113    HB2  ARG  15           HB2      ARG  15  46.088   2.113  -6.078
  114    HB3  ARG  15           HB1      ARG  15  46.826   2.788  -7.522
  115    HG2  ARG  15           HG2      ARG  15  47.021   4.958  -6.397
  116    HG3  ARG  15           HG1      ARG  15  46.310   4.255  -4.943
  117    HD2  ARG  15           HD2      ARG  15  48.168   2.675  -4.795
  118    HD3  ARG  15           HD1      ARG  15  48.873   3.359  -6.259
  119    HE   ARG  15           HE       ARG  15  48.478   5.381  -4.321
  120   HH11  ARG  15          HH11      ARG  15  51.944   3.357  -4.158
  121   HH12  ARG  15          HH12      ARG  15  50.606   2.677  -5.020
  122   HH21  ARG  15          HH21      ARG  15  50.244   6.253  -3.197
  123   HH22  ARG  15          HH22      ARG  15  51.738   5.380  -3.127
  124    H    LEU  16           HN       LEU  16  44.318   4.114  -9.583
  125    HA   LEU  16           HA       LEU  16  43.688   3.157 -11.533
  126    HB2  LEU  16           HB2      LEU  16  44.942   0.707 -10.296
  127    HB3  LEU  16           HB1      LEU  16  44.328   0.744 -11.938
  128    HG   LEU  16           HG       LEU  16  45.963   2.803 -12.167
  129   HD11  LEU  16          HD11      LEU  16  47.196   1.227  -9.913
  130   HD12  LEU  16          HD12      LEU  16  46.640   2.899  -9.844
  131   HD13  LEU  16          HD13      LEU  16  48.017   2.469 -10.859
  132   HD21  LEU  16          HD21      LEU  16  47.702   1.263 -12.950
  133   HD22  LEU  16          HD22      LEU  16  46.095   0.765 -13.480
  134   HD23  LEU  16          HD23      LEU  16  46.879  -0.069 -12.137
  135    H    GLY  17           HN       GLY  17  42.023   2.772  -8.876
  136    HA2  GLY  17           HA2      GLY  17  39.655   2.437  -8.939
  137    HA3  GLY  17           HA1      GLY  17  39.889   1.251 -10.212
  138    H    ILE  18           HN       ILE  18  42.130   0.911  -7.673
  139    HA   ILE  18           HA       ILE  18  40.430  -1.024  -6.262
  140    HB   ILE  18           HB       ILE  18  42.443  -2.572  -6.080
  141   HG12  ILE  18          HG12      ILE  18  43.466  -1.725  -8.701
  142   HG13  ILE  18          HG11      ILE  18  43.798  -0.568  -7.418
  143   HG21  ILE  18          HG21      ILE  18  40.472  -3.119  -7.389
  144   HG22  ILE  18          HG22      ILE  18  41.925  -3.672  -8.225
  145   HG23  ILE  18          HG23      ILE  18  41.102  -2.207  -8.762
  146   HD11  ILE  18          HD11      ILE  18  44.530  -3.487  -7.385
  147   HD12  ILE  18          HD12      ILE  18  44.881  -2.314  -6.113
  148   HD13  ILE  18          HD13      ILE  18  45.628  -2.144  -7.703
  149    H    CYS  19           HN       CYS  19  40.413  -0.692  -4.176
  150    HA   CYS  19           HA       CYS  19  42.486   0.937  -2.918
  151    HB2  CYS  19           HB2      CYS  19  40.844   0.986  -1.000
  152    HB3  CYS  19           HB1      CYS  19  40.269   1.718  -2.493
  153    H    VAL  20           HN       VAL  20  43.691   0.270  -1.167
  154    HA   VAL  20           HA       VAL  20  43.341  -2.443  -0.155
  155    HB   VAL  20           HB       VAL  20  45.874  -2.814  -0.319
  156   HG11  VAL  20          HG11      VAL  20  44.251  -4.099  -1.606
  157   HG12  VAL  20          HG12      VAL  20  45.683  -3.763  -2.583
  158   HG13  VAL  20          HG13      VAL  20  44.203  -2.836  -2.837
  159   HG21  VAL  20          HG21      VAL  20  45.605  -0.704  -2.480
  160   HG22  VAL  20          HG22      VAL  20  47.015  -1.732  -2.223
  161   HG23  VAL  20          HG23      VAL  20  46.547  -0.552  -0.995
  162    HA   PRO  21           HA       PRO  21  44.553  -0.570   3.716
  163    HB2  PRO  21           HB2      PRO  21  45.914  -2.973   4.663
  164    HB3  PRO  21           HB1      PRO  21  44.354  -2.308   5.175
  165    HG2  PRO  21           HG2      PRO  21  44.557  -4.622   3.819
  166    HG3  PRO  21           HG1      PRO  21  43.167  -3.530   3.658
  167    HD2  PRO  21           HD2      PRO  21  45.525  -3.853   1.839
  168    HD3  PRO  21           HD1      PRO  21  43.803  -3.696   1.438
  169    H    ASP  22           HN       ASP  22  46.215   0.469   4.736
  170    HA   ASP  22           HA       ASP  22  48.863   0.232   3.493
  171    HB2  ASP  22           HB2      ASP  22  47.554   2.459   5.053
  172    HB3  ASP  22           HB1      ASP  22  49.258   2.474   4.615
  173    H    ASP  23           HN       ASP  23  47.244   0.076   6.616
  174    HA   ASP  23           HA       ASP  23  49.743  -0.202   8.072
  175    HB2  ASP  23           HB2      ASP  23  46.855  -0.173   8.944
  176    HB3  ASP  23           HB1      ASP  23  48.185  -0.485  10.056
  177    H    ASP  24           HN       ASP  24  46.979  -2.234   7.168
  178    HA   ASP  24           HA       ASP  24  48.585  -4.600   7.807
  179    HB2  ASP  24           HB2      ASP  24  46.811  -4.014   9.588
  180    HB3  ASP  24           HB1      ASP  24  45.630  -4.554   8.403
  181    H    TYR  25           HN       TYR  25  49.017  -4.693   5.628
  182    HA   TYR  25           HA       TYR  25  46.812  -5.244   3.790
  183    HB2  TYR  25           HB2      TYR  25  48.597  -5.135   2.011
  184    HB3  TYR  25           HB1      TYR  25  48.343  -3.642   2.903
  185    HD1  TYR  25           HD1      TYR  25  50.032  -2.913   4.591
  186    HD2  TYR  25           HD2      TYR  25  50.701  -6.258   2.047
  187    HE1  TYR  25           HE1      TYR  25  52.437  -2.807   5.092
  188    HE2  TYR  25           HE2      TYR  25  53.107  -6.163   2.543
  189    HH   TYR  25           HH       TYR  25  54.763  -4.519   3.312
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1  20.070   5.857 -11.850
    2    H2   PHE   1           HT2      PHE   1  19.911   7.432 -12.445
    3    H3   PHE   1           HT3      PHE   1  19.114   6.982 -11.025
    4    HA   PHE   1           HA       PHE   1  22.050   7.118 -11.385
    5    HB2  PHE   1           HB2      PHE   1  20.104   8.953  -9.973
    6    HB3  PHE   1           HB1      PHE   1  21.844   9.007  -9.716
    7    HD1  PHE   1           HD1      PHE   1  19.123   9.723 -12.044
    8    HD2  PHE   1           HD2      PHE   1  23.331   9.855 -11.426
    9    HE1  PHE   1           HE1      PHE   1  19.354  11.233 -13.973
   10    HE2  PHE   1           HE2      PHE   1  23.571  11.365 -13.353
   11    HZ   PHE   1           HZ       PHE   1  21.581  12.056 -14.630
   12    H    GLY   2           HN       GLY   2  23.285   6.538  -9.616
   13    HA2  GLY   2           HA2      GLY   2  21.942   5.511  -7.228
   14    HA3  GLY   2           HA1      GLY   2  22.889   4.370  -8.172
   15    H    VAL   3           HN       VAL   3  25.075   4.345  -7.991
   16    HA   VAL   3           HA       VAL   3  26.443   6.472  -6.555
   17    HB   VAL   3           HB       VAL   3  27.673   4.759  -5.125
   18   HG11  VAL   3          HG11      VAL   3  26.109   6.345  -4.183
   19   HG12  VAL   3          HG12      VAL   3  25.964   4.788  -3.370
   20   HG13  VAL   3          HG13      VAL   3  24.760   5.275  -4.563
   21   HG21  VAL   3          HG21      VAL   3  26.980   2.697  -6.189
   22   HG22  VAL   3          HG22      VAL   3  25.287   3.046  -5.839
   23   HG23  VAL   3          HG23      VAL   3  26.411   2.715  -4.519
   24    H    LYS   4           HN       LYS   4  28.111   7.011  -7.733
   25    HA   LYS   4           HA       LYS   4  29.250   5.212  -9.690
   26    HB2  LYS   4           HB2      LYS   4  28.822   7.826  -9.815
   27    HB3  LYS   4           HB1      LYS   4  30.432   7.895  -9.115
   28    HG2  LYS   4           HG2      LYS   4  31.309   6.601 -10.994
   29    HG3  LYS   4           HG1      LYS   4  29.691   6.531 -11.697
   30    HD2  LYS   4           HD2      LYS   4  29.662   8.975 -11.867
   31    HD3  LYS   4           HD1      LYS   4  31.277   9.044 -11.162
   32    HE2  LYS   4           HE2      LYS   4  30.657   7.532 -13.690
   33    HE3  LYS   4           HE1      LYS   4  31.142   9.227 -13.686
   34    HZ1  LYS   4           HZ1      LYS   4  32.737   6.968 -12.596
   35    HZ2  LYS   4           HZ2      LYS   4  33.204   8.595 -12.591
   36    HZ3  LYS   4           HZ3      LYS   4  33.029   7.770 -14.057
   37    H    ASP   5           HN       ASP   5  30.350   6.868  -6.739
   38    HA   ASP   5           HA       ASP   5  32.700   5.108  -6.685
   39    HB2  ASP   5           HB2      ASP   5  32.289   7.953  -5.846
   40    HB3  ASP   5           HB1      ASP   5  33.514   6.984  -5.046
   41    H    GLY   6           HN       GLY   6  32.064   3.413  -5.480
   42    HA2  GLY   6           HA2      GLY   6  31.716   3.775  -2.656
   43    HA3  GLY   6           HA1      GLY   6  30.240   3.251  -3.446
   44    H    LYS   7           HN       LYS   7  33.624   2.425  -2.916
   45    HA   LYS   7           HA       LYS   7  32.906  -0.423  -3.095
   46    HB2  LYS   7           HB2      LYS   7  34.312   0.667  -5.054
   47    HB3  LYS   7           HB1      LYS   7  35.640   0.474  -3.921
   48    HG2  LYS   7           HG2      LYS   7  35.794  -1.482  -5.104
   49    HG3  LYS   7           HG1      LYS   7  34.756  -1.992  -3.771
   50    HD2  LYS   7           HD2      LYS   7  32.782  -1.652  -5.185
   51    HD3  LYS   7           HD1      LYS   7  33.821  -1.138  -6.515
   52    HE2  LYS   7           HE2      LYS   7  34.893  -3.340  -6.521
   53    HE3  LYS   7           HE1      LYS   7  33.848  -3.852  -5.198
   54    HZ1  LYS   7           HZ1      LYS   7  32.935  -3.040  -7.905
   55    HZ2  LYS   7           HZ2      LYS   7  31.932  -3.532  -6.635
   56    HZ3  LYS   7           HZ3      LYS   7  33.019  -4.628  -7.325
   57    H    CYS   8           HN       CYS   8  35.161   1.995  -1.804
   58    HA   CYS   8           HA       CYS   8  36.257   0.163   0.139
   59    HB2  CYS   8           HB2      CYS   8  36.740   3.131   0.098
   60    HB3  CYS   8           HB1      CYS   8  37.821   1.845   0.605
   61    HA   PRO   9           HA       PRO   9  33.516   1.338   3.482
   62    HB2  PRO   9           HB2      PRO   9  35.552   1.190   5.542
   63    HB3  PRO   9           HB1      PRO   9  34.313  -0.007   5.133
   64    HG2  PRO   9           HG2      PRO   9  36.962  -0.427   4.754
   65    HG3  PRO   9           HG1      PRO   9  35.697  -1.181   3.763
   66    HD2  PRO   9           HD2      PRO   9  37.380   1.220   3.154
   67    HD3  PRO   9           HD1      PRO   9  36.946  -0.147   2.106
   68    H    SER  10           HN       SER  10  34.913   3.632   2.201
   69    HA   SER  10           HA       SER  10  35.088   5.871   2.401
   70    HB2  SER  10           HB2      SER  10  33.612   5.494   5.020
   71    HB3  SER  10           HB1      SER  10  33.892   7.044   4.228
   72    HG   SER  10           HG       SER  10  32.618   4.926   2.872
   73    H    GLY  11           HN       GLY  11  37.126   6.398   2.494
   74    HA2  GLY  11           HA2      GLY  11  38.795   7.621   3.756
   75    HA3  GLY  11           HA1      GLY  11  38.417   6.608   5.142
   76    H    ARG  12           HN       ARG  12  39.094   5.779   1.759
   77    HA   ARG  12           HA       ARG  12  41.490   4.303   2.608
   78    HB2  ARG  12           HB2      ARG  12  39.188   3.023   2.038
   79    HB3  ARG  12           HB1      ARG  12  39.850   3.151   0.415
   80    HG2  ARG  12           HG2      ARG  12  41.823   1.957   1.069
   81    HG3  ARG  12           HG1      ARG  12  41.310   1.955   2.756
   82    HD2  ARG  12           HD2      ARG  12  39.318   0.639   2.096
   83    HD3  ARG  12           HD1      ARG  12  39.946   0.571   0.451
   84    HE   ARG  12           HE       ARG  12  41.935  -0.400   2.127
   85   HH11  ARG  12          HH11      ARG  12  38.979  -3.031   1.432
   86   HH12  ARG  12          HH12      ARG  12  38.685  -1.342   1.189
   87   HH21  ARG  12          HH21      ARG  12  41.021  -3.751   2.141
   88   HH22  ARG  12          HH22      ARG  12  42.295  -2.618   2.445
   89    H    VAL  13           HN       VAL  13  43.043   3.927   0.885
   90    HA   VAL  13           HA       VAL  13  43.090   6.131  -1.016
   91    HB   VAL  13           HB       VAL  13  45.079   5.742   0.390
   92   HG11  VAL  13          HG11      VAL  13  45.055   3.334   0.609
   93   HG12  VAL  13          HG12      VAL  13  46.607   3.875  -0.029
   94   HG13  VAL  13          HG13      VAL  13  45.415   3.148  -1.107
   95   HG21  VAL  13          HG21      VAL  13  46.788   5.891  -1.366
   96   HG22  VAL  13          HG22      VAL  13  45.376   6.889  -1.718
   97   HG23  VAL  13          HG23      VAL  13  45.599   5.352  -2.553
   98    H    ARG  14           HN       ARG  14  42.378   5.910  -3.006
   99    HA   ARG  14           HA       ARG  14  42.087   3.239  -4.166
  100    HB2  ARG  14           HB2      ARG  14  40.234   5.121  -3.993
  101    HB3  ARG  14           HB1      ARG  14  40.998   5.709  -5.461
  102    HG2  ARG  14           HG2      ARG  14  40.162   2.844  -5.295
  103    HG3  ARG  14           HG1      ARG  14  38.950   4.091  -5.585
  104    HD2  ARG  14           HD2      ARG  14  41.453   3.813  -7.240
  105    HD3  ARG  14           HD1      ARG  14  39.943   2.997  -7.638
  106    HE   ARG  14           HE       ARG  14  39.429   5.734  -7.290
  107   HH11  ARG  14          HH11      ARG  14  40.820   4.688 -10.910
  108   HH12  ARG  14          HH12      ARG  14  41.065   3.619  -9.568
  109   HH21  ARG  14          HH21      ARG  14  39.121   7.116  -9.060
  110   HH22  ARG  14          HH22      ARG  14  39.722   6.665 -10.621
  111    H    ARG  15           HN       ARG  15  43.481   2.520  -5.583
  112    HA   ARG  15           HA       ARG  15  44.775   4.343  -7.472
  113    HB2  ARG  15           HB2      ARG  15  46.210   2.413  -5.647
  114    HB3  ARG  15           HB1      ARG  15  46.935   3.027  -7.124
  115    HG2  ARG  15           HG2      ARG  15  46.680   5.325  -6.260
  116    HG3  ARG  15           HG1      ARG  15  46.045   4.659  -4.754
  117    HD2  ARG  15           HD2      ARG  15  48.748   3.937  -5.868
  118    HD3  ARG  15           HD1      ARG  15  48.495   5.272  -4.747
  119    HE   ARG  15           HE       ARG  15  47.351   3.011  -3.604
  120   HH11  ARG  15          HH11      ARG  15  51.352   3.137  -3.283
  121   HH12  ARG  15          HH12      ARG  15  50.571   4.083  -4.506
  122   HH21  ARG  15          HH21      ARG  15  48.394   1.781  -2.014
  123   HH22  ARG  15          HH22      ARG  15  50.119   1.835  -1.873
  124    H    LEU  16           HN       LEU  16  44.881   3.540  -9.496
  125    HA   LEU  16           HA       LEU  16  44.646   2.201 -11.303
  126    HB2  LEU  16           HB2      LEU  16  45.491   0.112  -9.313
  127    HB3  LEU  16           HB1      LEU  16  45.113  -0.306 -10.972
  128    HG   LEU  16           HG       LEU  16  46.882   1.539 -11.550
  129   HD11  LEU  16          HD11      LEU  16  48.709   1.603  -9.884
  130   HD12  LEU  16          HD12      LEU  16  47.648   0.790  -8.731
  131   HD13  LEU  16          HD13      LEU  16  47.235   2.398  -9.329
  132   HD21  LEU  16          HD21      LEU  16  47.638  -1.170 -10.463
  133   HD22  LEU  16          HD22      LEU  16  48.637  -0.172 -11.521
  134   HD23  LEU  16          HD23      LEU  16  47.102  -0.814 -12.106
  135    H    GLY  17           HN       GLY  17  42.419   2.367  -9.013
  136    HA2  GLY  17           HA2      GLY  17  40.102   2.088  -9.780
  137    HA3  GLY  17           HA1      GLY  17  40.582   0.526 -10.420
  138    H    ILE  18           HN       ILE  18  42.188  -0.100  -8.002
  139    HA   ILE  18           HA       ILE  18  39.956  -0.644  -6.150
  140    HB   ILE  18           HB       ILE  18  41.267  -2.697  -5.430
  141   HG12  ILE  18          HG12      ILE  18  42.542  -2.805  -8.124
  142   HG13  ILE  18          HG11      ILE  18  43.318  -1.773  -6.928
  143   HG21  ILE  18          HG21      ILE  18  40.363  -4.063  -7.272
  144   HG22  ILE  18          HG22      ILE  18  40.142  -2.601  -8.233
  145   HG23  ILE  18          HG23      ILE  18  39.222  -2.825  -6.744
  146   HD11  ILE  18          HD11      ILE  18  43.514  -3.679  -5.413
  147   HD12  ILE  18          HD12      ILE  18  44.303  -3.991  -6.959
  148   HD13  ILE  18          HD13      ILE  18  42.731  -4.710  -6.611
  149    H    CYS  19           HN       CYS  19  40.225  -0.357  -3.993
  150    HA   CYS  19           HA       CYS  19  42.626   1.108  -3.171
  151    HB2  CYS  19           HB2      CYS  19  41.251   1.750  -1.186
  152    HB3  CYS  19           HB1      CYS  19  40.576   2.280  -2.721
  153    H    VAL  20           HN       VAL  20  43.949   0.463  -1.555
  154    HA   VAL  20           HA       VAL  20  43.299  -1.954  -0.049
  155    HB   VAL  20           HB       VAL  20  45.705  -2.768  -0.391
  156   HG11  VAL  20          HG11      VAL  20  45.112  -3.969  -2.457
  157   HG12  VAL  20          HG12      VAL  20  43.774  -2.849  -2.714
  158   HG13  VAL  20          HG13      VAL  20  43.766  -3.921  -1.315
  159   HG21  VAL  20          HG21      VAL  20  46.637  -0.766  -1.463
  160   HG22  VAL  20          HG22      VAL  20  45.523  -0.958  -2.815
  161   HG23  VAL  20          HG23      VAL  20  46.776  -2.165  -2.530
  162    HA   PRO  21           HA       PRO  21  45.262   0.271   3.291
  163    HB2  PRO  21           HB2      PRO  21  46.216  -2.101   4.647
  164    HB3  PRO  21           HB1      PRO  21  44.789  -1.123   5.022
  165    HG2  PRO  21           HG2      PRO  21  44.656  -3.678   4.107
  166    HG3  PRO  21           HG1      PRO  21  43.387  -2.467   3.851
  167    HD2  PRO  21           HD2      PRO  21  45.523  -3.384   1.966
  168    HD3  PRO  21           HD1      PRO  21  43.810  -3.045   1.651
  169    H    ASP  22           HN       ASP  22  47.151   1.304   3.551
  170    HA   ASP  22           HA       ASP  22  49.623  -0.023   2.666
  171    HB2  ASP  22           HB2      ASP  22  48.804   2.875   2.731
  172    HB3  ASP  22           HB1      ASP  22  50.486   2.388   2.540
  173    H    ASP  23           HN       ASP  23  48.032   0.808   5.470
  174    HA   ASP  23           HA       ASP  23  50.429   1.494   6.993
  175    HB2  ASP  23           HB2      ASP  23  48.049   2.582   7.219
  176    HB3  ASP  23           HB1      ASP  23  47.716   1.179   8.226
  177    H    ASP  24           HN       ASP  24  48.385  -1.211   6.323
  178    HA   ASP  24           HA       ASP  24  49.218  -2.732   8.648
  179    HB2  ASP  24           HB2      ASP  24  47.382  -3.280   6.326
  180    HB3  ASP  24           HB1      ASP  24  47.856  -4.549   7.446
  181    H    TYR  25           HN       TYR  25  49.771  -2.728   5.147
  182    HA   TYR  25           HA       TYR  25  51.773  -4.853   5.454
  183    HB2  TYR  25           HB2      TYR  25  50.350  -3.773   3.017
  184    HB3  TYR  25           HB1      TYR  25  51.697  -4.902   2.921
  185    HD1  TYR  25           HD1      TYR  25  51.428  -7.222   3.614
  186    HD2  TYR  25           HD2      TYR  25  48.173  -4.490   3.811
  187    HE1  TYR  25           HE1      TYR  25  49.871  -9.106   3.878
  188    HE2  TYR  25           HE2      TYR  25  46.606  -6.367   4.076
  189    HH   TYR  25           HH       TYR  25  46.510  -8.771   3.569
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  24.587  -6.502   2.295
    2    H2   PHE   1           HT2      PHE   1  26.122  -6.704   2.975
    3    H3   PHE   1           HT3      PHE   1  24.744  -7.117   3.863
    4    HA   PHE   1           HA       PHE   1  25.849  -9.081   3.019
    5    HB2  PHE   1           HB2      PHE   1  23.256  -8.741   3.173
    6    HB3  PHE   1           HB1      PHE   1  23.326  -8.787   1.415
    7    HD1  PHE   1           HD1      PHE   1  23.723 -10.712   4.496
    8    HD2  PHE   1           HD2      PHE   1  23.880 -10.831   0.245
    9    HE1  PHE   1           HE1      PHE   1  23.696 -13.170   4.568
   10    HE2  PHE   1           HE2      PHE   1  23.853 -13.290   0.309
   11    HZ   PHE   1           HZ       PHE   1  23.761 -14.463   2.472
   12    H    GLY   2           HN       GLY   2  24.810  -6.853   0.456
   13    HA2  GLY   2           HA2      GLY   2  26.380  -8.373  -1.512
   14    HA3  GLY   2           HA1      GLY   2  25.169  -7.157  -1.885
   15    H    VAL   3           HN       VAL   3  25.726  -5.010  -1.956
   16    HA   VAL   3           HA       VAL   3  28.459  -4.234  -1.288
   17    HB   VAL   3           HB       VAL   3  28.621  -2.960  -3.504
   18   HG11  VAL   3          HG11      VAL   3  29.569  -4.896  -4.672
   19   HG12  VAL   3          HG12      VAL   3  28.777  -5.970  -3.517
   20   HG13  VAL   3          HG13      VAL   3  30.029  -4.856  -2.969
   21   HG21  VAL   3          HG21      VAL   3  26.533  -4.981  -4.344
   22   HG22  VAL   3          HG22      VAL   3  27.455  -3.944  -5.431
   23   HG23  VAL   3          HG23      VAL   3  26.319  -3.231  -4.286
   24    H    LYS   4           HN       LYS   4  28.233  -2.596   0.047
   25    HA   LYS   4           HA       LYS   4  25.990  -0.751  -0.229
   26    HB2  LYS   4           HB2      LYS   4  27.910  -1.398   1.987
   27    HB3  LYS   4           HB1      LYS   4  26.965   0.079   2.027
   28    HG2  LYS   4           HG2      LYS   4  24.905  -1.220   1.931
   29    HG3  LYS   4           HG1      LYS   4  25.845  -2.710   1.860
   30    HD2  LYS   4           HD2      LYS   4  26.799  -2.207   4.059
   31    HD3  LYS   4           HD1      LYS   4  25.853  -0.720   4.129
   32    HE2  LYS   4           HE2      LYS   4  23.789  -2.029   4.034
   33    HE3  LYS   4           HE1      LYS   4  24.733  -3.516   3.953
   34    HZ1  LYS   4           HZ1      LYS   4  24.733  -1.589   6.215
   35    HZ2  LYS   4           HZ2      LYS   4  25.635  -3.017   6.140
   36    HZ3  LYS   4           HZ3      LYS   4  23.945  -3.087   6.194
   37    H    ASP   5           HN       ASP   5  29.544  -0.668   0.076
   38    HA   ASP   5           HA       ASP   5  29.545   2.125  -0.799
   39    HB2  ASP   5           HB2      ASP   5  31.544   0.399   0.639
   40    HB3  ASP   5           HB1      ASP   5  32.032   1.898  -0.134
   41    H    GLY   6           HN       GLY   6  31.136  -0.991  -1.498
   42    HA2  GLY   6           HA2      GLY   6  31.084  -1.452  -4.014
   43    HA3  GLY   6           HA1      GLY   6  31.960   0.068  -4.124
   44    H    LYS   7           HN       LYS   7  34.055   0.200  -3.066
   45    HA   LYS   7           HA       LYS   7  35.430  -2.394  -3.031
   46    HB2  LYS   7           HB2      LYS   7  36.264   0.342  -3.942
   47    HB3  LYS   7           HB1      LYS   7  37.473  -0.830  -3.456
   48    HG2  LYS   7           HG2      LYS   7  37.392  -1.166  -5.729
   49    HG3  LYS   7           HG1      LYS   7  36.255  -2.387  -5.161
   50    HD2  LYS   7           HD2      LYS   7  34.392  -0.858  -5.633
   51    HD3  LYS   7           HD1      LYS   7  35.538   0.352  -6.215
   52    HE2  LYS   7           HE2      LYS   7  36.260  -1.178  -7.978
   53    HE3  LYS   7           HE1      LYS   7  35.130  -2.397  -7.390
   54    HZ1  LYS   7           HZ1      LYS   7  34.230  -1.200  -9.282
   55    HZ2  LYS   7           HZ2      LYS   7  34.391   0.272  -8.465
   56    HZ3  LYS   7           HZ3      LYS   7  33.305  -0.895  -7.898
   57    H    CYS   8           HN       CYS   8  35.515   0.863  -1.564
   58    HA   CYS   8           HA       CYS   8  36.282  -0.358   0.984
   59    HB2  CYS   8           HB2      CYS   8  37.793   1.736   1.302
   60    HB3  CYS   8           HB1      CYS   8  38.401   0.384   0.359
   61    HA   PRO   9           HA       PRO   9  33.254   2.459   2.674
   62    HB2  PRO   9           HB2      PRO   9  34.699   2.891   5.163
   63    HB3  PRO   9           HB1      PRO   9  33.285   1.865   4.872
   64    HG2  PRO   9           HG2      PRO   9  35.717   0.867   5.492
   65    HG3  PRO   9           HG1      PRO   9  34.536   0.004   4.487
   66    HD2  PRO   9           HD2      PRO   9  36.926   1.593   3.633
   67    HD3  PRO   9           HD1      PRO   9  36.352   0.017   3.050
   68    H    SER  10           HN       SER  10  35.330   3.795   1.107
   69    HA   SER  10           HA       SER  10  35.920   5.884   0.470
   70    HB2  SER  10           HB2      SER  10  34.138   6.832   2.723
   71    HB3  SER  10           HB1      SER  10  34.843   7.869   1.483
   72    HG   SER  10           HG       SER  10  32.691   7.209   0.991
   73    H    GLY  11           HN       GLY  11  36.412   5.025   3.812
   74    HA2  GLY  11           HA2      GLY  11  38.397   7.112   4.253
   75    HA3  GLY  11           HA1      GLY  11  37.900   5.887   5.406
   76    H    ARG  12           HN       ARG  12  38.948   5.217   2.125
   77    HA   ARG  12           HA       ARG  12  41.504   4.157   3.103
   78    HB2  ARG  12           HB2      ARG  12  39.486   2.486   2.632
   79    HB3  ARG  12           HB1      ARG  12  40.025   2.671   0.969
   80    HG2  ARG  12           HG2      ARG  12  42.076   1.670   1.393
   81    HG3  ARG  12           HG1      ARG  12  41.959   1.948   3.132
   82    HD2  ARG  12           HD2      ARG  12  40.063   0.333   3.191
   83    HD3  ARG  12           HD1      ARG  12  40.364  -0.011   1.488
   84    HE   ARG  12           HE       ARG  12  42.751  -0.368   2.914
   85   HH11  ARG  12          HH11      ARG  12  40.212  -3.479   3.003
   86   HH12  ARG  12          HH12      ARG  12  39.610  -1.908   2.593
   87   HH21  ARG  12          HH21      ARG  12  42.421  -3.774   3.488
   88   HH22  ARG  12          HH22      ARG  12  43.514  -2.432   3.452
   89    H    VAL  13           HN       VAL  13  42.989   3.638   1.169
   90    HA   VAL  13           HA       VAL  13  42.988   5.956  -0.591
   91    HB   VAL  13           HB       VAL  13  45.270   5.095  -1.296
   92   HG11  VAL  13          HG11      VAL  13  45.010   6.904   0.295
   93   HG12  VAL  13          HG12      VAL  13  46.368   5.875   0.754
   94   HG13  VAL  13          HG13      VAL  13  44.834   5.747   1.615
   95   HG21  VAL  13          HG21      VAL  13  45.003   2.744  -0.630
   96   HG22  VAL  13          HG22      VAL  13  44.904   3.234   1.062
   97   HG23  VAL  13          HG23      VAL  13  46.398   3.483   0.158
   98    H    ARG  14           HN       ARG  14  42.783   5.944  -2.769
   99    HA   ARG  14           HA       ARG  14  42.044   3.382  -4.013
  100    HB2  ARG  14           HB2      ARG  14  40.453   5.478  -3.901
  101    HB3  ARG  14           HB1      ARG  14  41.409   6.019  -5.272
  102    HG2  ARG  14           HG2      ARG  14  40.880   3.741  -6.311
  103    HG3  ARG  14           HG1      ARG  14  39.644   3.604  -5.059
  104    HD2  ARG  14           HD2      ARG  14  38.557   4.479  -6.958
  105    HD3  ARG  14           HD1      ARG  14  38.772   5.835  -5.857
  106    HE   ARG  14           HE       ARG  14  40.965   5.884  -7.515
  107   HH11  ARG  14          HH11      ARG  14  37.630   7.055  -9.425
  108   HH12  ARG  14          HH12      ARG  14  37.491   6.083  -7.998
  109   HH21  ARG  14          HH21      ARG  14  41.122   7.156  -9.384
  110   HH22  ARG  14          HH22      ARG  14  39.685   7.661 -10.209
  111    H    ARG  15           HN       ARG  15  43.023   2.675  -5.802
  112    HA   ARG  15           HA       ARG  15  44.848   4.292  -7.351
  113    HB2  ARG  15           HB2      ARG  15  45.831   2.063  -5.574
  114    HB3  ARG  15           HB1      ARG  15  46.685   2.481  -7.051
  115    HG2  ARG  15           HG2      ARG  15  46.945   4.787  -6.209
  116    HG3  ARG  15           HG1      ARG  15  46.168   4.297  -4.703
  117    HD2  ARG  15           HD2      ARG  15  48.478   4.200  -4.271
  118    HD3  ARG  15           HD1      ARG  15  47.980   2.528  -4.518
  119    HE   ARG  15           HE       ARG  15  48.799   3.345  -6.983
  120   HH11  ARG  15          HH11      ARG  15  51.935   3.112  -4.485
  121   HH12  ARG  15          HH12      ARG  15  50.344   3.299  -3.830
  122   HH21  ARG  15          HH21      ARG  15  50.892   3.100  -7.819
  123   HH22  ARG  15          HH22      ARG  15  52.244   2.999  -6.742
  124    H    LEU  16           HN       LEU  16  44.389   3.777  -9.397
  125    HA   LEU  16           HA       LEU  16  43.836   2.675 -11.292
  126    HB2  LEU  16           HB2      LEU  16  44.956   0.314  -9.786
  127    HB3  LEU  16           HB1      LEU  16  44.451   0.232 -11.462
  128    HG   LEU  16           HG       LEU  16  46.143   2.243 -11.737
  129   HD11  LEU  16          HD11      LEU  16  46.671   2.493  -9.385
  130   HD12  LEU  16          HD12      LEU  16  48.101   1.968 -10.276
  131   HD13  LEU  16          HD13      LEU  16  47.196   0.811  -9.300
  132   HD21  LEU  16          HD21      LEU  16  46.306   0.106 -12.884
  133   HD22  LEU  16          HD22      LEU  16  46.991  -0.635 -11.439
  134   HD23  LEU  16          HD23      LEU  16  47.888   0.618 -12.297
  135    H    GLY  17           HN       GLY  17  41.976   2.612  -8.776
  136    HA2  GLY  17           HA2      GLY  17  39.630   2.288  -8.898
  137    HA3  GLY  17           HA1      GLY  17  39.889   1.039 -10.103
  138    H    ILE  18           HN       ILE  18  41.926   0.872  -7.344
  139    HA   ILE  18           HA       ILE  18  40.131  -0.953  -5.931
  140    HB   ILE  18           HB       ILE  18  42.036  -2.605  -5.613
  141   HG12  ILE  18          HG12      ILE  18  43.445  -2.562  -7.917
  142   HG13  ILE  18          HG11      ILE  18  43.257  -0.833  -7.661
  143   HG21  ILE  18          HG21      ILE  18  40.816  -2.319  -8.359
  144   HG22  ILE  18          HG22      ILE  18  40.076  -3.101  -6.962
  145   HG23  ILE  18          HG23      ILE  18  41.519  -3.797  -7.702
  146   HD11  ILE  18          HD11      ILE  18  44.461  -2.782  -5.713
  147   HD12  ILE  18          HD12      ILE  18  44.276  -1.048  -5.457
  148   HD13  ILE  18          HD13      ILE  18  45.344  -1.642  -6.728
  149    H    CYS  19           HN       CYS  19  40.293  -0.898  -3.785
  150    HA   CYS  19           HA       CYS  19  42.107   1.048  -2.603
  151    HB2  CYS  19           HB2      CYS  19  40.040  -0.502  -1.068
  152    HB3  CYS  19           HB1      CYS  19  40.658   1.115  -0.762
  153    H    VAL  20           HN       VAL  20  43.840   0.558  -1.415
  154    HA   VAL  20           HA       VAL  20  44.176  -2.211  -0.481
  155    HB   VAL  20           HB       VAL  20  46.687  -1.882  -0.862
  156   HG11  VAL  20          HG11      VAL  20  46.528  -2.613  -3.208
  157   HG12  VAL  20          HG12      VAL  20  44.846  -2.084  -3.251
  158   HG13  VAL  20          HG13      VAL  20  45.326  -3.408  -2.190
  159   HG21  VAL  20          HG21      VAL  20  45.700   0.282  -2.741
  160   HG22  VAL  20          HG22      VAL  20  47.344  -0.349  -2.670
  161   HG23  VAL  20          HG23      VAL  20  46.682   0.541  -1.298
  162    HA   PRO  21           HA       PRO  21  45.244  -0.421   3.471
  163    HB2  PRO  21           HB2      PRO  21  47.215  -2.447   4.125
  164    HB3  PRO  21           HB1      PRO  21  45.555  -2.295   4.722
  165    HG2  PRO  21           HG2      PRO  21  46.377  -4.316   3.112
  166    HG3  PRO  21           HG1      PRO  21  44.711  -3.705   3.151
  167    HD2  PRO  21           HD2      PRO  21  46.886  -3.123   1.180
  168    HD3  PRO  21           HD1      PRO  21  45.160  -3.433   0.902
  169    H    ASP  22           HN       ASP  22  46.851   0.647   4.719
  170    HA   ASP  22           HA       ASP  22  49.310   1.265   3.220
  171    HB2  ASP  22           HB2      ASP  22  47.680   2.960   5.115
  172    HB3  ASP  22           HB1      ASP  22  49.298   3.407   4.583
  173    H    ASP  23           HN       ASP  23  48.049   0.902   6.539
  174    HA   ASP  23           HA       ASP  23  50.641  -0.207   7.349
  175    HB2  ASP  23           HB2      ASP  23  49.153   2.007   8.770
  176    HB3  ASP  23           HB1      ASP  23  50.403   1.043   9.549
  177    H    ASP  24           HN       ASP  24  47.254   0.349   8.293
  178    HA   ASP  24           HA       ASP  24  47.169  -2.375   9.395
  179    HB2  ASP  24           HB2      ASP  24  47.315  -0.416  11.133
  180    HB3  ASP  24           HB1      ASP  24  45.622  -0.172  10.727
  181    H    TYR  25           HN       TYR  25  45.305   0.413   8.224
  182    HA   TYR  25           HA       TYR  25  43.220  -1.445   7.282
  183    HB2  TYR  25           HB2      TYR  25  42.658   0.330   9.101
  184    HB3  TYR  25           HB1      TYR  25  42.719   1.483   7.774
  185    HD1  TYR  25           HD1      TYR  25  41.005   1.499   6.060
  186    HD2  TYR  25           HD2      TYR  25  40.885  -1.343   9.225
  187    HE1  TYR  25           HE1      TYR  25  38.674   0.964   5.485
  188    HE2  TYR  25           HE2      TYR  25  38.555  -1.886   8.658
  189    HH   TYR  25           HH       TYR  25  36.642  -0.827   7.519
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  25.908 -11.924  -4.532
    2    H2   PHE   1           HT2      PHE   1  26.996 -10.658  -4.262
    3    H3   PHE   1           HT3      PHE   1  25.697 -10.893  -3.208
    4    HA   PHE   1           HA       PHE   1  26.581 -12.977  -2.476
    5    HB2  PHE   1           HB2      PHE   1  28.921 -13.599  -3.198
    6    HB3  PHE   1           HB1      PHE   1  27.684 -13.783  -4.433
    7    HD1  PHE   1           HD1      PHE   1  27.614 -12.266  -6.352
    8    HD2  PHE   1           HD2      PHE   1  30.693 -12.002  -3.427
    9    HE1  PHE   1           HE1      PHE   1  28.956 -10.899  -7.896
   10    HE2  PHE   1           HE2      PHE   1  32.042 -10.634  -4.966
   11    HZ   PHE   1           HZ       PHE   1  31.173 -10.080  -7.204
   12    H    GLY   2           HN       GLY   2  28.438 -10.039  -3.183
   13    HA2  GLY   2           HA2      GLY   2  29.058  -9.833  -0.308
   14    HA3  GLY   2           HA1      GLY   2  30.327  -9.604  -1.502
   15    H    VAL   3           HN       VAL   3  30.782  -7.565  -1.919
   16    HA   VAL   3           HA       VAL   3  28.633  -5.601  -2.125
   17    HB   VAL   3           HB       VAL   3  30.089  -3.913  -0.864
   18   HG11  VAL   3          HG11      VAL   3  29.143  -4.560   1.304
   19   HG12  VAL   3          HG12      VAL   3  28.773  -6.157   0.656
   20   HG13  VAL   3          HG13      VAL   3  27.977  -4.731  -0.008
   21   HG21  VAL   3          HG21      VAL   3  31.539  -4.809   0.903
   22   HG22  VAL   3          HG22      VAL   3  32.149  -5.224  -0.699
   23   HG23  VAL   3          HG23      VAL   3  31.311  -6.439   0.268
   24    H    LYS   4           HN       LYS   4  28.805  -4.832  -4.095
   25    HA   LYS   4           HA       LYS   4  31.411  -4.585  -5.384
   26    HB2  LYS   4           HB2      LYS   4  28.575  -4.599  -6.367
   27    HB3  LYS   4           HB1      LYS   4  29.869  -3.993  -7.384
   28    HG2  LYS   4           HG2      LYS   4  31.009  -6.149  -7.231
   29    HG3  LYS   4           HG1      LYS   4  29.710  -6.755  -6.202
   30    HD2  LYS   4           HD2      LYS   4  28.109  -6.411  -8.021
   31    HD3  LYS   4           HD1      LYS   4  29.405  -5.795  -9.047
   32    HE2  LYS   4           HE2      LYS   4  30.543  -7.957  -8.903
   33    HE3  LYS   4           HE1      LYS   4  29.251  -8.570  -7.873
   34    HZ1  LYS   4           HZ1      LYS   4  28.935  -7.657 -10.681
   35    HZ2  LYS   4           HZ2      LYS   4  27.695  -8.246  -9.694
   36    HZ3  LYS   4           HZ3      LYS   4  28.958  -9.268 -10.164
   37    H    ASP   5           HN       ASP   5  28.642  -2.611  -4.412
   38    HA   ASP   5           HA       ASP   5  29.859  -0.174  -5.421
   39    HB2  ASP   5           HB2      ASP   5  27.213  -0.825  -4.143
   40    HB3  ASP   5           HB1      ASP   5  27.732   0.834  -4.392
   41    H    GLY   6           HN       GLY   6  29.135  -1.720  -2.328
   42    HA2  GLY   6           HA2      GLY   6  30.527   0.481  -0.936
   43    HA3  GLY   6           HA1      GLY   6  29.309  -0.545  -0.198
   44    H    LYS   7           HN       LYS   7  32.469  -0.750  -1.784
   45    HA   LYS   7           HA       LYS   7  33.150  -3.097  -0.181
   46    HB2  LYS   7           HB2      LYS   7  33.562  -2.751  -2.766
   47    HB3  LYS   7           HB1      LYS   7  35.005  -1.915  -2.214
   48    HG2  LYS   7           HG2      LYS   7  35.719  -3.929  -1.025
   49    HG3  LYS   7           HG1      LYS   7  34.269  -4.768  -1.580
   50    HD2  LYS   7           HD2      LYS   7  34.981  -4.456  -3.903
   51    HD3  LYS   7           HD1      LYS   7  36.432  -3.620  -3.346
   52    HE2  LYS   7           HE2      LYS   7  35.753  -6.436  -2.528
   53    HE3  LYS   7           HE1      LYS   7  36.701  -6.065  -3.967
   54    HZ1  LYS   7           HZ1      LYS   7  38.121  -6.551  -2.079
   55    HZ2  LYS   7           HZ2      LYS   7  37.410  -5.306  -1.182
   56    HZ3  LYS   7           HZ3      LYS   7  38.320  -4.941  -2.561
   57    H    CYS   8           HN       CYS   8  34.552   0.098  -0.982
   58    HA   CYS   8           HA       CYS   8  36.327  -0.072   1.314
   59    HB2  CYS   8           HB2      CYS   8  36.238   2.284  -0.523
   60    HB3  CYS   8           HB1      CYS   8  37.608   1.563   0.301
   61    HA   PRO   9           HA       PRO   9  33.351   2.486   3.601
   62    HB2  PRO   9           HB2      PRO   9  35.295   2.628   5.775
   63    HB3  PRO   9           HB1      PRO   9  33.747   1.772   5.727
   64    HG2  PRO   9           HG2      PRO   9  36.113   0.490   5.798
   65    HG3  PRO   9           HG1      PRO   9  34.681  -0.169   4.981
   66    HD2  PRO   9           HD2      PRO   9  37.041   1.236   3.793
   67    HD3  PRO   9           HD1      PRO   9  36.191  -0.220   3.233
   68    H    SER  10           HN       SER  10  35.222   3.777   1.748
   69    HA   SER  10           HA       SER  10  35.859   5.857   1.125
   70    HB2  SER  10           HB2      SER  10  34.594   6.779   3.715
   71    HB3  SER  10           HB1      SER  10  35.147   7.841   2.421
   72    HG   SER  10           HG       SER  10  33.343   5.769   1.841
   73    H    GLY  11           HN       GLY  11  36.999   4.520   4.058
   74    HA2  GLY  11           HA2      GLY  11  39.157   6.489   4.319
   75    HA3  GLY  11           HA1      GLY  11  38.777   5.213   5.464
   76    H    ARG  12           HN       ARG  12  39.335   5.058   1.960
   77    HA   ARG  12           HA       ARG  12  41.779   3.492   2.424
   78    HB2  ARG  12           HB2      ARG  12  39.530   2.702   0.554
   79    HB3  ARG  12           HB1      ARG  12  41.097   1.914   0.620
   80    HG2  ARG  12           HG2      ARG  12  40.499   1.565   3.136
   81    HG3  ARG  12           HG1      ARG  12  38.852   1.826   2.578
   82    HD2  ARG  12           HD2      ARG  12  39.060  -0.009   1.009
   83    HD3  ARG  12           HD1      ARG  12  40.750  -0.230   1.457
   84    HE   ARG  12           HE       ARG  12  39.251  -0.459   3.783
   85   HH11  ARG  12          HH11      ARG  12  39.124  -3.731   1.455
   86   HH12  ARG  12          HH12      ARG  12  39.567  -2.211   0.754
   87   HH21  ARG  12          HH21      ARG  12  38.619  -3.871   3.675
   88   HH22  ARG  12          HH22      ARG  12  38.673  -2.461   4.677
   89    H    VAL  13           HN       VAL  13  43.200   3.376   0.553
   90    HA   VAL  13           HA       VAL  13  43.132   5.852  -0.983
   91    HB   VAL  13           HB       VAL  13  45.438   5.131  -1.766
   92   HG11  VAL  13          HG11      VAL  13  46.521   5.769   0.338
   93   HG12  VAL  13          HG12      VAL  13  44.997   5.514   1.191
   94   HG13  VAL  13          HG13      VAL  13  45.125   6.786  -0.025
   95   HG21  VAL  13          HG21      VAL  13  45.253   2.726  -1.301
   96   HG22  VAL  13          HG22      VAL  13  45.151   3.067   0.426
   97   HG23  VAL  13          HG23      VAL  13  46.628   3.442  -0.461
   98    H    ARG  14           HN       ARG  14  42.373   5.966  -2.971
   99    HA   ARG  14           HA       ARG  14  41.916   3.499  -4.472
  100    HB2  ARG  14           HB2      ARG  14  40.792   6.282  -4.699
  101    HB3  ARG  14           HB1      ARG  14  40.569   5.092  -5.972
  102    HG2  ARG  14           HG2      ARG  14  39.820   4.370  -3.178
  103    HG3  ARG  14           HG1      ARG  14  38.757   5.426  -4.107
  104    HD2  ARG  14           HD2      ARG  14  39.732   2.765  -5.130
  105    HD3  ARG  14           HD1      ARG  14  38.242   2.949  -4.207
  106    HE   ARG  14           HE       ARG  14  38.069   4.757  -6.279
  107   HH11  ARG  14          HH11      ARG  14  37.552   0.972  -7.519
  108   HH12  ARG  14          HH12      ARG  14  38.383   1.268  -6.029
  109   HH21  ARG  14          HH21      ARG  14  36.983   4.345  -8.225
  110   HH22  ARG  14          HH22      ARG  14  36.761   2.713  -8.761
  111    H    ARG  15           HN       ARG  15  43.438   2.889  -5.787
  112    HA   ARG  15           HA       ARG  15  44.609   4.770  -7.688
  113    HB2  ARG  15           HB2      ARG  15  46.184   2.954  -5.856
  114    HB3  ARG  15           HB1      ARG  15  46.855   3.601  -7.344
  115    HG2  ARG  15           HG2      ARG  15  46.508   5.877  -6.508
  116    HG3  ARG  15           HG1      ARG  15  45.853   5.219  -5.008
  117    HD2  ARG  15           HD2      ARG  15  48.097   5.742  -4.532
  118    HD3  ARG  15           HD1      ARG  15  48.061   3.993  -4.752
  119    HE   ARG  15           HE       ARG  15  48.682   5.072  -7.221
  120   HH11  ARG  15          HH11      ARG  15  51.770   5.187  -4.654
  121   HH12  ARG  15          HH12      ARG  15  50.159   5.052  -4.034
  122   HH21  ARG  15          HH21      ARG  15  50.800   5.247  -8.010
  123   HH22  ARG  15          HH22      ARG  15  52.131   5.297  -6.903
  124    H    LEU  16           HN       LEU  16  44.552   3.958  -9.700
  125    HA   LEU  16           HA       LEU  16  44.348   2.580 -11.477
  126    HB2  LEU  16           HB2      LEU  16  45.517   0.578  -9.557
  127    HB3  LEU  16           HB1      LEU  16  45.111   0.155 -11.208
  128    HG   LEU  16           HG       LEU  16  46.652   2.185 -11.817
  129   HD11  LEU  16          HD11      LEU  16  47.004   3.028  -9.585
  130   HD12  LEU  16          HD12      LEU  16  48.530   2.422 -10.231
  131   HD13  LEU  16          HD13      LEU  16  47.627   1.464  -9.057
  132   HD21  LEU  16          HD21      LEU  16  48.576   0.666 -11.893
  133   HD22  LEU  16          HD22      LEU  16  47.093  -0.114 -12.442
  134   HD23  LEU  16          HD23      LEU  16  47.723  -0.454 -10.830
  135    H    GLY  17           HN       GLY  17  42.288   2.567  -9.051
  136    HA2  GLY  17           HA2      GLY  17  39.988   2.063  -9.298
  137    HA3  GLY  17           HA1      GLY  17  40.407   0.810 -10.452
  138    H    ILE  18           HN       ILE  18  42.298   0.788  -7.601
  139    HA   ILE  18           HA       ILE  18  40.538  -1.187  -6.321
  140    HB   ILE  18           HB       ILE  18  42.244  -2.384  -7.687
  141   HG12  ILE  18          HG12      ILE  18  43.225  -3.717  -5.616
  142   HG13  ILE  18          HG11      ILE  18  42.074  -2.729  -4.724
  143   HG21  ILE  18          HG21      ILE  18  44.119  -0.842  -7.523
  144   HG22  ILE  18          HG22      ILE  18  44.595  -2.448  -6.967
  145   HG23  ILE  18          HG23      ILE  18  44.264  -1.172  -5.795
  146   HD11  ILE  18          HD11      ILE  18  40.262  -3.586  -6.117
  147   HD12  ILE  18          HD12      ILE  18  41.128  -4.890  -5.303
  148   HD13  ILE  18          HD13      ILE  18  41.418  -4.573  -7.014
  149    H    CYS  19           HN       CYS  19  40.549  -1.217  -4.101
  150    HA   CYS  19           HA       CYS  19  41.774   1.079  -2.792
  151    HB2  CYS  19           HB2      CYS  19  39.693  -0.929  -1.948
  152    HB3  CYS  19           HB1      CYS  19  40.410   0.197  -0.805
  153    H    VAL  20           HN       VAL  20  43.358   1.010  -1.308
  154    HA   VAL  20           HA       VAL  20  44.400  -1.636  -0.517
  155    HB   VAL  20           HB       VAL  20  46.234   0.736  -0.708
  156   HG11  VAL  20          HG11      VAL  20  46.682  -2.243  -0.979
  157   HG12  VAL  20          HG12      VAL  20  47.041  -1.264   0.442
  158   HG13  VAL  20          HG13      VAL  20  47.941  -1.009  -1.055
  159   HG21  VAL  20          HG21      VAL  20  45.208   0.601  -2.929
  160   HG22  VAL  20          HG22      VAL  20  45.593  -1.117  -3.013
  161   HG23  VAL  20          HG23      VAL  20  46.892   0.075  -2.987
  162    HA   PRO  21           HA       PRO  21  43.624   0.061   3.607
  163    HB2  PRO  21           HB2      PRO  21  45.099  -2.226   4.693
  164    HB3  PRO  21           HB1      PRO  21  43.377  -1.840   4.841
  165    HG2  PRO  21           HG2      PRO  21  44.250  -3.921   3.395
  166    HG3  PRO  21           HG1      PRO  21  42.805  -2.989   2.952
  167    HD2  PRO  21           HD2      PRO  21  45.571  -2.827   1.817
  168    HD3  PRO  21           HD1      PRO  21  44.003  -2.808   0.984
  169    H    ASP  22           HN       ASP  22  44.718   1.234   5.115
  170    HA   ASP  22           HA       ASP  22  47.603   1.554   4.702
  171    HB2  ASP  22           HB2      ASP  22  45.527   3.332   5.983
  172    HB3  ASP  22           HB1      ASP  22  47.252   3.666   6.071
  173    H    ASP  23           HN       ASP  23  45.425   0.146   6.888
  174    HA   ASP  23           HA       ASP  23  47.177   0.394   9.207
  175    HB2  ASP  23           HB2      ASP  23  44.445  -0.835   8.828
  176    HB3  ASP  23           HB1      ASP  23  45.353  -0.971  10.331
  177    H    ASP  24           HN       ASP  24  46.033  -2.076   6.947
  178    HA   ASP  24           HA       ASP  24  47.564  -4.164   8.266
  179    HB2  ASP  24           HB2      ASP  24  45.635  -4.119   5.957
  180    HB3  ASP  24           HB1      ASP  24  46.604  -5.538   6.319
  181    H    TYR  25           HN       TYR  25  47.570  -2.373   5.204
  182    HA   TYR  25           HA       TYR  25  50.209  -3.527   4.584
  183    HB2  TYR  25           HB2      TYR  25  48.055  -2.461   2.753
  184    HB3  TYR  25           HB1      TYR  25  49.697  -2.785   2.209
  185    HD1  TYR  25           HD1      TYR  25  46.555  -4.292   3.360
  186    HD2  TYR  25           HD2      TYR  25  50.492  -5.054   1.937
  187    HE1  TYR  25           HE1      TYR  25  45.948  -6.641   2.957
  188    HE2  TYR  25           HE2      TYR  25  49.895  -7.405   1.531
  189    HH   TYR  25           HH       TYR  25  48.248  -9.051   2.319
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  25.666 -10.603  -3.803
    2    H2   PHE   1           HT2      PHE   1  24.675 -11.835  -3.201
    3    H3   PHE   1           HT3      PHE   1  26.341 -12.088  -3.351
    4    HA   PHE   1           HA       PHE   1  25.053 -10.126  -1.550
    5    HB2  PHE   1           HB2      PHE   1  25.940 -11.635   0.268
    6    HB3  PHE   1           HB1      PHE   1  24.613 -12.303  -0.670
    7    HD1  PHE   1           HD1      PHE   1  24.956 -14.199  -2.134
    8    HD2  PHE   1           HD2      PHE   1  28.177 -12.556   0.111
    9    HE1  PHE   1           HE1      PHE   1  26.295 -16.214  -2.587
   10    HE2  PHE   1           HE2      PHE   1  29.521 -14.568  -0.339
   11    HZ   PHE   1           HZ       PHE   1  28.581 -16.399  -1.690
   12    H    GLY   2           HN       GLY   2  26.398  -8.815  -0.381
   13    HA2  GLY   2           HA2      GLY   2  28.992  -8.848   0.236
   14    HA3  GLY   2           HA1      GLY   2  29.075  -8.469  -1.477
   15    H    VAL   3           HN       VAL   3  30.203  -6.572  -0.392
   16    HA   VAL   3           HA       VAL   3  28.319  -4.369  -0.279
   17    HB   VAL   3           HB       VAL   3  28.579  -5.027   2.087
   18   HG11  VAL   3          HG11      VAL   3  30.811  -5.960   2.090
   19   HG12  VAL   3          HG12      VAL   3  30.684  -4.679   3.295
   20   HG13  VAL   3          HG13      VAL   3  31.503  -4.371   1.764
   21   HG21  VAL   3          HG21      VAL   3  28.099  -2.711   1.594
   22   HG22  VAL   3          HG22      VAL   3  29.821  -2.358   1.439
   23   HG23  VAL   3          HG23      VAL   3  29.153  -2.822   3.005
   24    H    LYS   4           HN       LYS   4  28.978  -2.946  -1.694
   25    HA   LYS   4           HA       LYS   4  31.790  -2.815  -2.483
   26    HB2  LYS   4           HB2      LYS   4  29.675  -2.963  -4.065
   27    HB3  LYS   4           HB1      LYS   4  29.642  -1.222  -3.832
   28    HG2  LYS   4           HG2      LYS   4  30.896  -1.372  -5.742
   29    HG3  LYS   4           HG1      LYS   4  32.170  -1.394  -4.522
   30    HD2  LYS   4           HD2      LYS   4  32.250  -3.837  -4.648
   31    HD3  LYS   4           HD1      LYS   4  30.963  -3.821  -5.854
   32    HE2  LYS   4           HE2      LYS   4  32.401  -2.534  -7.363
   33    HE3  LYS   4           HE1      LYS   4  33.687  -2.560  -6.157
   34    HZ1  LYS   4           HZ1      LYS   4  34.019  -4.259  -7.839
   35    HZ2  LYS   4           HZ2      LYS   4  32.515  -4.945  -7.486
   36    HZ3  LYS   4           HZ3      LYS   4  33.749  -4.971  -6.328
   37    H    ASP   5           HN       ASP   5  29.170  -0.672  -1.377
   38    HA   ASP   5           HA       ASP   5  31.080   1.499  -0.957
   39    HB2  ASP   5           HB2      ASP   5  28.078   1.349  -1.071
   40    HB3  ASP   5           HB1      ASP   5  28.896   2.753  -0.403
   41    H    GLY   6           HN       GLY   6  31.533   2.354   1.025
   42    HA2  GLY   6           HA2      GLY   6  31.102   2.712   3.354
   43    HA3  GLY   6           HA1      GLY   6  30.200   1.206   3.384
   44    H    LYS   7           HN       LYS   7  32.538   0.025   1.740
   45    HA   LYS   7           HA       LYS   7  34.124  -0.733   4.075
   46    HB2  LYS   7           HB2      LYS   7  33.010  -2.366   2.366
   47    HB3  LYS   7           HB1      LYS   7  34.398  -1.987   1.359
   48    HG2  LYS   7           HG2      LYS   7  35.897  -2.795   3.111
   49    HG3  LYS   7           HG1      LYS   7  34.506  -3.160   4.136
   50    HD2  LYS   7           HD2      LYS   7  33.701  -4.761   2.473
   51    HD3  LYS   7           HD1      LYS   7  35.079  -4.387   1.437
   52    HE2  LYS   7           HE2      LYS   7  36.600  -5.193   3.177
   53    HE3  LYS   7           HE1      LYS   7  35.221  -5.571   4.209
   54    HZ1  LYS   7           HZ1      LYS   7  36.034  -7.535   3.066
   55    HZ2  LYS   7           HZ2      LYS   7  35.792  -6.799   1.564
   56    HZ3  LYS   7           HZ3      LYS   7  34.466  -7.161   2.551
   57    H    CYS   8           HN       CYS   8  34.606   0.434   0.738
   58    HA   CYS   8           HA       CYS   8  37.382   1.078   1.405
   59    HB2  CYS   8           HB2      CYS   8  35.997   0.377  -1.123
   60    HB3  CYS   8           HB1      CYS   8  37.332   1.516  -1.228
   61    HA   PRO   9           HA       PRO   9  35.751   5.300  -0.282
   62    HB2  PRO   9           HB2      PRO   9  32.839   5.283  -0.283
   63    HB3  PRO   9           HB1      PRO   9  33.944   5.561  -1.640
   64    HG2  PRO   9           HG2      PRO   9  32.372   3.375  -1.462
   65    HG3  PRO   9           HG1      PRO   9  33.954   3.372  -2.269
   66    HD2  PRO   9           HD2      PRO   9  33.246   2.428   0.486
   67    HD3  PRO   9           HD1      PRO   9  34.268   1.654  -0.739
   68    H    SER  10           HN       SER  10  35.673   4.054   2.462
   69    HA   SER  10           HA       SER  10  34.203   6.184   3.876
   70    HB2  SER  10           HB2      SER  10  34.890   3.402   4.855
   71    HB3  SER  10           HB1      SER  10  34.080   4.644   5.809
   72    HG   SER  10           HG       SER  10  33.131   3.344   3.477
   73    H    GLY  11           HN       GLY  11  37.143   4.196   3.895
   74    HA2  GLY  11           HA2      GLY  11  38.752   6.410   4.780
   75    HA3  GLY  11           HA1      GLY  11  38.556   5.173   6.013
   76    H    ARG  12           HN       ARG  12  38.800   4.723   2.521
   77    HA   ARG  12           HA       ARG  12  41.394   3.384   2.863
   78    HB2  ARG  12           HB2      ARG  12  39.154   1.985   2.511
   79    HB3  ARG  12           HB1      ARG  12  39.445   2.394   0.828
   80    HG2  ARG  12           HG2      ARG  12  40.562   0.428   0.905
   81    HG3  ARG  12           HG1      ARG  12  41.862   1.492   1.435
   82    HD2  ARG  12           HD2      ARG  12  41.357   0.984   3.762
   83    HD3  ARG  12           HD1      ARG  12  40.016  -0.043   3.258
   84    HE   ARG  12           HE       ARG  12  42.516  -0.836   2.109
   85   HH11  ARG  12          HH11      ARG  12  41.244  -2.643   5.463
   86   HH12  ARG  12          HH12      ARG  12  40.524  -1.141   4.985
   87   HH21  ARG  12          HH21      ARG  12  42.894  -3.581   4.201
   88   HH22  ARG  12          HH22      ARG  12  43.441  -2.802   2.754
   89    H    VAL  13           HN       VAL  13  42.759   3.412   0.991
   90    HA   VAL  13           HA       VAL  13  42.352   5.755  -0.682
   91    HB   VAL  13           HB       VAL  13  44.527   5.367   0.493
   92   HG11  VAL  13          HG11      VAL  13  44.893   3.129  -1.492
   93   HG12  VAL  13          HG12      VAL  13  44.774   2.976   0.261
   94   HG13  VAL  13          HG13      VAL  13  46.159   3.796  -0.459
   95   HG21  VAL  13          HG21      VAL  13  45.966   6.025  -1.384
   96   HG22  VAL  13          HG22      VAL  13  44.432   6.893  -1.380
   97   HG23  VAL  13          HG23      VAL  13  44.690   5.564  -2.511
   98    H    ARG  14           HN       ARG  14  42.003   5.753  -2.837
   99    HA   ARG  14           HA       ARG  14  41.683   3.137  -4.156
  100    HB2  ARG  14           HB2      ARG  14  40.154   5.715  -4.494
  101    HB3  ARG  14           HB1      ARG  14  40.076   4.418  -5.677
  102    HG2  ARG  14           HG2      ARG  14  39.512   3.762  -2.831
  103    HG3  ARG  14           HG1      ARG  14  38.289   4.640  -3.751
  104    HD2  ARG  14           HD2      ARG  14  39.549   2.082  -4.724
  105    HD3  ARG  14           HD1      ARG  14  38.092   2.111  -3.730
  106    HE   ARG  14           HE       ARG  14  37.855   3.784  -6.032
  107   HH11  ARG  14          HH11      ARG  14  36.555  -0.008  -6.282
  108   HH12  ARG  14          HH12      ARG  14  37.627   0.436  -4.996
  109   HH21  ARG  14          HH21      ARG  14  36.451   3.181  -7.706
  110   HH22  ARG  14          HH22      ARG  14  35.890   1.545  -7.814
  111    H    ARG  15           HN       ARG  15  43.188   2.713  -5.590
  112    HA   ARG  15           HA       ARG  15  44.126   4.821  -7.398
  113    HB2  ARG  15           HB2      ARG  15  45.864   2.995  -5.743
  114    HB3  ARG  15           HB1      ARG  15  46.453   3.757  -7.212
  115    HG2  ARG  15           HG2      ARG  15  45.969   5.963  -6.238
  116    HG3  ARG  15           HG1      ARG  15  45.445   5.171  -4.752
  117    HD2  ARG  15           HD2      ARG  15  47.671   4.211  -4.472
  118    HD3  ARG  15           HD1      ARG  15  48.196   4.973  -5.972
  119    HE   ARG  15           HE       ARG  15  47.166   6.876  -4.115
  120   HH11  ARG  15          HH11      ARG  15  51.114   6.136  -4.092
  121   HH12  ARG  15          HH12      ARG  15  50.047   5.013  -4.865
  122   HH21  ARG  15          HH21      ARG  15  48.582   8.332  -3.108
  123   HH22  ARG  15          HH22      ARG  15  50.286   8.014  -3.100
  124    H    LEU  16           HN       LEU  16  43.930   4.200  -9.457
  125    HA   LEU  16           HA       LEU  16  43.739   2.990 -11.357
  126    HB2  LEU  16           HB2      LEU  16  45.307   0.971  -9.761
  127    HB3  LEU  16           HB1      LEU  16  44.842   0.698 -11.428
  128    HG   LEU  16           HG       LEU  16  46.055   2.995 -11.836
  129   HD11  LEU  16          HD11      LEU  16  47.336   2.037  -9.280
  130   HD12  LEU  16          HD12      LEU  16  46.472   3.556  -9.525
  131   HD13  LEU  16          HD13      LEU  16  48.003   3.271 -10.352
  132   HD21  LEU  16          HD21      LEU  16  46.727   0.876 -12.813
  133   HD22  LEU  16          HD22      LEU  16  47.531   0.419 -11.311
  134   HD23  LEU  16          HD23      LEU  16  48.138   1.776 -12.258
  135    H    GLY  17           HN       GLY  17  42.020   2.266  -8.677
  136    HA2  GLY  17           HA2      GLY  17  39.716   1.520  -9.084
  137    HA3  GLY  17           HA1      GLY  17  40.384   0.267 -10.115
  138    H    ILE  18           HN       ILE  18  42.582  -0.224  -8.127
  139    HA   ILE  18           HA       ILE  18  41.059  -2.043  -6.428
  140    HB   ILE  18           HB       ILE  18  43.305  -3.002  -5.801
  141   HG12  ILE  18          HG12      ILE  18  44.554  -1.780  -8.213
  142   HG13  ILE  18          HG11      ILE  18  44.433  -0.747  -6.793
  143   HG21  ILE  18          HG21      ILE  18  43.561  -4.211  -7.935
  144   HG22  ILE  18          HG22      ILE  18  42.541  -3.009  -8.725
  145   HG23  ILE  18          HG23      ILE  18  41.867  -4.044  -7.465
  146   HD11  ILE  18          HD11      ILE  18  45.775  -3.439  -6.910
  147   HD12  ILE  18          HD12      ILE  18  45.655  -2.406  -5.485
  148   HD13  ILE  18          HD13      ILE  18  46.580  -1.869  -6.888
  149    H    CYS  19           HN       CYS  19  41.474  -2.290  -4.168
  150    HA   CYS  19           HA       CYS  19  41.971   0.271  -2.847
  151    HB2  CYS  19           HB2      CYS  19  40.619  -2.276  -1.976
  152    HB3  CYS  19           HB1      CYS  19  41.021  -1.001  -0.834
  153    H    VAL  20           HN       VAL  20  43.620   0.642  -1.490
  154    HA   VAL  20           HA       VAL  20  45.522  -1.557  -1.006
  155    HB   VAL  20           HB       VAL  20  46.268   1.367  -0.851
  156   HG11  VAL  20          HG11      VAL  20  47.897  -1.135  -1.346
  157   HG12  VAL  20          HG12      VAL  20  47.841  -0.207   0.153
  158   HG13  VAL  20          HG13      VAL  20  48.539   0.507  -1.303
  159   HG21  VAL  20          HG21      VAL  20  46.427  -0.380  -3.319
  160   HG22  VAL  20          HG22      VAL  20  47.128   1.230  -3.156
  161   HG23  VAL  20          HG23      VAL  20  45.377   1.021  -3.106
  162    HA   PRO  21           HA       PRO  21  44.455  -1.045   3.354
  163    HB2  PRO  21           HB2      PRO  21  47.012  -2.335   4.025
  164    HB3  PRO  21           HB1      PRO  21  45.359  -2.903   4.322
  165    HG2  PRO  21           HG2      PRO  21  46.949  -4.084   2.529
  166    HG3  PRO  21           HG1      PRO  21  45.194  -3.945   2.292
  167    HD2  PRO  21           HD2      PRO  21  47.395  -2.315   1.082
  168    HD3  PRO  21           HD1      PRO  21  45.922  -2.966   0.332
  169    H    ASP  22           HN       ASP  22  45.051   0.137   5.181
  170    HA   ASP  22           HA       ASP  22  47.497   1.757   4.972
  171    HB2  ASP  22           HB2      ASP  22  44.716   2.729   5.656
  172    HB3  ASP  22           HB1      ASP  22  46.172   3.673   5.950
  173    H    ASP  23           HN       ASP  23  48.755   1.181   6.628
  174    HA   ASP  23           HA       ASP  23  47.509   0.592   9.231
  175    HB2  ASP  23           HB2      ASP  23  50.078  -0.409   8.000
  176    HB3  ASP  23           HB1      ASP  23  49.692  -0.621   9.705
  177    H    ASP  24           HN       ASP  24  50.203   2.278   7.661
  178    HA   ASP  24           HA       ASP  24  50.988   3.550  10.155
  179    HB2  ASP  24           HB2      ASP  24  52.142   3.492   7.377
  180    HB3  ASP  24           HB1      ASP  24  52.723   4.624   8.588
  181    H    TYR  25           HN       TYR  25  49.674   4.462   6.983
  182    HA   TYR  25           HA       TYR  25  48.802   7.012   8.156
  183    HB2  TYR  25           HB2      TYR  25  49.183   8.078   5.896
  184    HB3  TYR  25           HB1      TYR  25  50.640   7.646   6.777
  185    HD1  TYR  25           HD1      TYR  25  51.982   5.675   6.043
  186    HD2  TYR  25           HD2      TYR  25  48.686   7.116   3.770
  187    HE1  TYR  25           HE1      TYR  25  52.795   4.431   4.084
  188    HE2  TYR  25           HE2      TYR  25  49.490   5.874   1.806
  189    HH   TYR  25           HH       TYR  25  51.905   3.497   1.994
  Start of MODEL   16
    1    H1   PHE   1           HT1      PHE   1  20.691  -5.951   3.014
    2    H2   PHE   1           HT2      PHE   1  20.577  -5.219   4.535
    3    H3   PHE   1           HT3      PHE   1  21.269  -6.755   4.386
    4    HA   PHE   1           HA       PHE   1  22.362  -4.252   3.242
    5    HB2  PHE   1           HB2      PHE   1  23.179  -5.899   5.643
    6    HB3  PHE   1           HB1      PHE   1  24.217  -4.683   4.909
    7    HD1  PHE   1           HD1      PHE   1  23.724  -2.325   5.131
    8    HD2  PHE   1           HD2      PHE   1  21.215  -5.271   6.906
    9    HE1  PHE   1           HE1      PHE   1  22.663  -0.585   6.510
   10    HE2  PHE   1           HE2      PHE   1  20.150  -3.535   8.287
   11    HZ   PHE   1           HZ       PHE   1  20.874  -1.190   8.090
   12    H    GLY   2           HN       GLY   2  24.204  -4.452   2.015
   13    HA2  GLY   2           HA2      GLY   2  25.351  -7.099   1.560
   14    HA3  GLY   2           HA1      GLY   2  24.589  -6.322   0.183
   15    H    VAL   3           HN       VAL   3  25.579  -4.594  -0.815
   16    HA   VAL   3           HA       VAL   3  28.128  -3.640   0.239
   17    HB   VAL   3           HB       VAL   3  29.143  -3.838  -2.104
   18   HG11  VAL   3          HG11      VAL   3  28.655  -6.334  -0.489
   19   HG12  VAL   3          HG12      VAL   3  29.923  -5.138  -0.218
   20   HG13  VAL   3          HG13      VAL   3  29.935  -6.120  -1.683
   21   HG21  VAL   3          HG21      VAL   3  28.353  -5.707  -3.493
   22   HG22  VAL   3          HG22      VAL   3  27.130  -4.443  -3.355
   23   HG23  VAL   3          HG23      VAL   3  26.976  -5.925  -2.413
   24    H    LYS   4           HN       LYS   4  27.885  -1.533   0.369
   25    HA   LYS   4           HA       LYS   4  26.276  -0.098  -1.600
   26    HB2  LYS   4           HB2      LYS   4  27.253   0.531   1.166
   27    HB3  LYS   4           HB1      LYS   4  26.713   1.817   0.101
   28    HG2  LYS   4           HG2      LYS   4  24.530   0.733  -0.105
   29    HG3  LYS   4           HG1      LYS   4  25.076  -0.554   0.972
   30    HD2  LYS   4           HD2      LYS   4  25.407   1.085   2.759
   31    HD3  LYS   4           HD1      LYS   4  24.866   2.373   1.681
   32    HE2  LYS   4           HE2      LYS   4  22.679   1.289   1.489
   33    HE3  LYS   4           HE1      LYS   4  23.221   0.004   2.569
   34    HZ1  LYS   4           HZ1      LYS   4  21.914   1.658   3.745
   35    HZ2  LYS   4           HZ2      LYS   4  22.989   2.879   3.282
   36    HZ3  LYS   4           HZ3      LYS   4  23.507   1.648   4.319
   37    H    ASP   5           HN       ASP   5  29.528  -0.073  -0.173
   38    HA   ASP   5           HA       ASP   5  30.397   1.887  -2.175
   39    HB2  ASP   5           HB2      ASP   5  30.873   2.049   0.399
   40    HB3  ASP   5           HB1      ASP   5  32.151   0.891   0.051
   41    H    GLY   6           HN       GLY   6  31.290  -1.302  -0.852
   42    HA2  GLY   6           HA2      GLY   6  31.737  -2.878  -2.859
   43    HA3  GLY   6           HA1      GLY   6  33.049  -1.751  -3.165
   44    H    LYS   7           HN       LYS   7  34.719  -1.540  -1.549
   45    HA   LYS   7           HA       LYS   7  34.974  -3.886   0.209
   46    HB2  LYS   7           HB2      LYS   7  36.745  -2.937  -1.941
   47    HB3  LYS   7           HB1      LYS   7  37.563  -3.310  -0.433
   48    HG2  LYS   7           HG2      LYS   7  36.627  -5.551  -0.457
   49    HG3  LYS   7           HG1      LYS   7  35.758  -5.181  -1.948
   50    HD2  LYS   7           HD2      LYS   7  37.889  -4.814  -3.097
   51    HD3  LYS   7           HD1      LYS   7  38.757  -5.178  -1.605
   52    HE2  LYS   7           HE2      LYS   7  37.808  -7.436  -1.610
   53    HE3  LYS   7           HE1      LYS   7  36.947  -7.070  -3.104
   54    HZ1  LYS   7           HZ1      LYS   7  39.076  -6.741  -4.202
   55    HZ2  LYS   7           HZ2      LYS   7  38.979  -8.293  -3.538
   56    HZ3  LYS   7           HZ3      LYS   7  39.898  -7.101  -2.768
   57    H    CYS   8           HN       CYS   8  36.075  -0.571  -0.440
   58    HA   CYS   8           HA       CYS   8  36.952  -0.316   2.337
   59    HB2  CYS   8           HB2      CYS   8  37.788   1.975   1.389
   60    HB3  CYS   8           HB1      CYS   8  38.673   0.498   1.020
   61    HA   PRO   9           HA       PRO   9  33.376   2.227   3.252
   62    HB2  PRO   9           HB2      PRO   9  34.572   3.390   5.586
   63    HB3  PRO   9           HB1      PRO   9  33.486   1.994   5.512
   64    HG2  PRO   9           HG2      PRO   9  36.124   1.881   6.280
   65    HG3  PRO   9           HG1      PRO   9  35.180   0.508   5.675
   66    HD2  PRO   9           HD2      PRO   9  37.145   2.230   4.224
   67    HD3  PRO   9           HD1      PRO   9  36.876   0.479   4.119
   68    H    SER  10           HN       SER  10  35.341   3.425   1.436
   69    HA   SER  10           HA       SER  10  35.674   5.378   0.341
   70    HB2  SER  10           HB2      SER  10  33.840   6.621   2.403
   71    HB3  SER  10           HB1      SER  10  34.425   7.427   0.948
   72    HG   SER  10           HG       SER  10  33.453   5.325  -0.033
   73    H    GLY  11           HN       GLY  11  36.468   5.065   3.655
   74    HA2  GLY  11           HA2      GLY  11  38.200   7.430   3.654
   75    HA3  GLY  11           HA1      GLY  11  37.853   6.400   5.035
   76    H    ARG  12           HN       ARG  12  38.936   5.437   1.814
   77    HA   ARG  12           HA       ARG  12  41.525   4.590   2.920
   78    HB2  ARG  12           HB2      ARG  12  39.551   2.815   2.440
   79    HB3  ARG  12           HB1      ARG  12  40.281   2.864   0.843
   80    HG2  ARG  12           HG2      ARG  12  42.341   2.067   1.650
   81    HG3  ARG  12           HG1      ARG  12  41.892   2.369   3.329
   82    HD2  ARG  12           HD2      ARG  12  40.028   0.659   2.940
   83    HD3  ARG  12           HD1      ARG  12  40.900   0.229   1.469
   84    HE   ARG  12           HE       ARG  12  42.826   0.042   3.315
   85   HH11  ARG  12          HH11      ARG  12  39.978  -2.621   4.280
   86   HH12  ARG  12          HH12      ARG  12  39.562  -1.254   3.300
   87   HH21  ARG  12          HH21      ARG  12  42.117  -2.900   5.017
   88   HH22  ARG  12          HH22      ARG  12  43.344  -1.751   4.602
   89    H    VAL  13           HN       VAL  13  43.091   4.020   1.056
   90    HA   VAL  13           HA       VAL  13  42.986   6.206  -0.859
   91    HB   VAL  13           HB       VAL  13  45.041   5.791   0.500
   92   HG11  VAL  13          HG11      VAL  13  45.103   3.373   0.524
   93   HG12  VAL  13          HG12      VAL  13  46.603   4.016  -0.143
   94   HG13  VAL  13          HG13      VAL  13  45.381   3.339  -1.218
   95   HG21  VAL  13          HG21      VAL  13  46.650   6.136  -1.323
   96   HG22  VAL  13          HG22      VAL  13  45.195   7.111  -1.518
   97   HG23  VAL  13          HG23      VAL  13  45.416   5.655  -2.487
   98    H    ARG  14           HN       ARG  14  42.712   6.021  -2.998
   99    HA   ARG  14           HA       ARG  14  42.171   3.343  -4.082
  100    HB2  ARG  14           HB2      ARG  14  40.423   5.277  -4.064
  101    HB3  ARG  14           HB1      ARG  14  41.350   5.907  -5.415
  102    HG2  ARG  14           HG2      ARG  14  39.857   4.691  -6.608
  103    HG3  ARG  14           HG1      ARG  14  41.000   3.391  -6.271
  104    HD2  ARG  14           HD2      ARG  14  38.861   2.529  -5.763
  105    HD3  ARG  14           HD1      ARG  14  39.624   2.882  -4.216
  106    HE   ARG  14           HE       ARG  14  38.131   5.120  -4.981
  107   HH11  ARG  14          HH11      ARG  14  35.990   2.161  -3.307
  108   HH12  ARG  14          HH12      ARG  14  37.545   1.804  -3.980
  109   HH21  ARG  14          HH21      ARG  14  36.094   5.564  -4.091
  110   HH22  ARG  14          HH22      ARG  14  35.171   4.289  -3.371
  111    H    ARG  15           HN       ARG  15  43.375   2.529  -5.646
  112    HA   ARG  15           HA       ARG  15  45.069   4.242  -7.302
  113    HB2  ARG  15           HB2      ARG  15  46.042   1.938  -5.607
  114    HB3  ARG  15           HB1      ARG  15  46.935   2.511  -7.009
  115    HG2  ARG  15           HG2      ARG  15  47.116   4.726  -5.981
  116    HG3  ARG  15           HG1      ARG  15  46.238   4.135  -4.570
  117    HD2  ARG  15           HD2      ARG  15  48.002   2.495  -4.158
  118    HD3  ARG  15           HD1      ARG  15  48.877   3.074  -5.575
  119    HE   ARG  15           HE       ARG  15  48.376   5.210  -3.792
  120   HH11  ARG  15          HH11      ARG  15  51.717   3.069  -3.164
  121   HH12  ARG  15          HH12      ARG  15  50.446   2.392  -4.126
  122   HH21  ARG  15          HH21      ARG  15  50.053   6.076  -2.535
  123   HH22  ARG  15          HH22      ARG  15  51.494   5.152  -2.263
  124    H    LEU  16           HN       LEU  16  44.760   3.734  -9.379
  125    HA   LEU  16           HA       LEU  16  44.286   2.655 -11.307
  126    HB2  LEU  16           HB2      LEU  16  45.116   0.237  -9.710
  127    HB3  LEU  16           HB1      LEU  16  44.676   0.148 -11.403
  128    HG   LEU  16           HG       LEU  16  46.535   1.990 -11.678
  129   HD11  LEU  16          HD11      LEU  16  47.350   0.622  -9.115
  130   HD12  LEU  16          HD12      LEU  16  46.986   2.335  -9.328
  131   HD13  LEU  16          HD13      LEU  16  48.402   1.632 -10.109
  132   HD21  LEU  16          HD21      LEU  16  46.588  -0.209 -12.709
  133   HD22  LEU  16          HD22      LEU  16  47.146  -0.924 -11.195
  134   HD23  LEU  16          HD23      LEU  16  48.176   0.212 -12.068
  135    H    GLY  17           HN       GLY  17  42.284   2.670  -8.843
  136    HA2  GLY  17           HA2      GLY  17  39.916   2.585  -9.187
  137    HA3  GLY  17           HA1      GLY  17  40.163   1.282 -10.336
  138    H    ILE  18           HN       ILE  18  42.048   0.871  -7.553
  139    HA   ILE  18           HA       ILE  18  39.986  -0.633  -6.121
  140    HB   ILE  18           HB       ILE  18  41.653  -2.542  -5.788
  141   HG12  ILE  18          HG12      ILE  18  42.801  -2.009  -8.469
  142   HG13  ILE  18          HG11      ILE  18  43.418  -0.987  -7.176
  143   HG21  ILE  18          HG21      ILE  18  40.901  -3.676  -7.842
  144   HG22  ILE  18          HG22      ILE  18  40.401  -2.120  -8.505
  145   HG23  ILE  18          HG23      ILE  18  39.598  -2.766  -7.074
  146   HD11  ILE  18          HD11      ILE  18  44.051  -2.980  -5.910
  147   HD12  ILE  18          HD12      ILE  18  44.821  -2.937  -7.497
  148   HD13  ILE  18          HD13      ILE  18  43.439  -3.998  -7.215
  149    H    CYS  19           HN       CYS  19  40.086  -0.358  -3.992
  150    HA   CYS  19           HA       CYS  19  42.315   1.142  -2.871
  151    HB2  CYS  19           HB2      CYS  19  40.808   1.139  -0.799
  152    HB3  CYS  19           HB1      CYS  19  40.238   2.027  -2.206
  153    H    VAL  20           HN       VAL  20  43.802   0.387  -1.524
  154    HA   VAL  20           HA       VAL  20  43.479  -2.315  -0.411
  155    HB   VAL  20           HB       VAL  20  45.996  -2.636  -0.773
  156   HG11  VAL  20          HG11      VAL  20  45.659  -3.500  -3.051
  157   HG12  VAL  20          HG12      VAL  20  44.156  -2.587  -3.169
  158   HG13  VAL  20          HG13      VAL  20  44.302  -3.893  -1.994
  159   HG21  VAL  20          HG21      VAL  20  45.551  -0.447  -2.823
  160   HG22  VAL  20          HG22      VAL  20  46.987  -1.464  -2.703
  161   HG23  VAL  20          HG23      VAL  20  46.592  -0.340  -1.401
  162    HA   PRO  21           HA       PRO  21  44.938  -0.572   3.438
  163    HB2  PRO  21           HB2      PRO  21  46.546  -2.918   4.116
  164    HB3  PRO  21           HB1      PRO  21  45.015  -2.377   4.826
  165    HG2  PRO  21           HG2      PRO  21  45.197  -4.608   3.341
  166    HG3  PRO  21           HG1      PRO  21  43.743  -3.589   3.369
  167    HD2  PRO  21           HD2      PRO  21  45.922  -3.704   1.318
  168    HD3  PRO  21           HD1      PRO  21  44.162  -3.626   1.093
  169    H    ASP  22           HN       ASP  22  46.696   0.347   4.537
  170    HA   ASP  22           HA       ASP  22  49.250   0.305   3.066
  171    HB2  ASP  22           HB2      ASP  22  47.890   2.580   4.510
  172    HB3  ASP  22           HB1      ASP  22  49.572   2.641   3.996
  173    H    ASP  23           HN       ASP  23  47.846   0.747   6.322
  174    HA   ASP  23           HA       ASP  23  50.430   0.319   7.570
  175    HB2  ASP  23           HB2      ASP  23  49.152   0.666   9.714
  176    HB3  ASP  23           HB1      ASP  23  49.116   2.022   8.597
  177    H    ASP  24           HN       ASP  24  47.565  -1.529   6.887
  178    HA   ASP  24           HA       ASP  24  48.221  -3.643   8.756
  179    HB2  ASP  24           HB2      ASP  24  45.999  -3.211   6.774
  180    HB3  ASP  24           HB1      ASP  24  46.219  -4.752   7.586
  181    H    TYR  25           HN       TYR  25  48.168  -3.173   5.231
  182    HA   TYR  25           HA       TYR  25  50.004  -5.449   4.956
  183    HB2  TYR  25           HB2      TYR  25  47.512  -4.941   3.322
  184    HB3  TYR  25           HB1      TYR  25  48.809  -5.999   2.776
  185    HD1  TYR  25           HD1      TYR  25  49.129  -8.177   3.748
  186    HD2  TYR  25           HD2      TYR  25  46.125  -5.567   5.255
  187    HE1  TYR  25           HE1      TYR  25  48.135 -10.049   4.993
  188    HE2  TYR  25           HE2      TYR  25  45.123  -7.433   6.505
  189    HH   TYR  25           HH       TYR  25  45.057  -9.888   6.410
  Start of MODEL   17
    1    H1   PHE   1           HT1      PHE   1  19.095  -4.862  -1.216
    2    H2   PHE   1           HT2      PHE   1  20.256  -5.741  -2.074
    3    H3   PHE   1           HT3      PHE   1  19.901  -4.150  -2.524
    4    HA   PHE   1           HA       PHE   1  20.776  -3.316  -0.458
    5    HB2  PHE   1           HB2      PHE   1  21.289  -6.245   0.075
    6    HB3  PHE   1           HB1      PHE   1  22.067  -4.953   0.981
    7    HD1  PHE   1           HD1      PHE   1  18.936  -6.728   0.358
    8    HD2  PHE   1           HD2      PHE   1  20.817  -3.603   2.552
    9    HE1  PHE   1           HE1      PHE   1  17.006  -6.640   1.881
   10    HE2  PHE   1           HE2      PHE   1  18.891  -3.511   4.079
   11    HZ   PHE   1           HZ       PHE   1  16.982  -5.031   3.745
   12    H    GLY   2           HN       GLY   2  22.922  -2.643  -0.360
   13    HA2  GLY   2           HA2      GLY   2  25.119  -3.922  -1.552
   14    HA3  GLY   2           HA1      GLY   2  24.410  -2.838  -2.740
   15    H    VAL   3           HN       VAL   3  27.019  -2.580  -1.744
   16    HA   VAL   3           HA       VAL   3  26.821   0.060  -0.494
   17    HB   VAL   3           HB       VAL   3  28.939  -0.488   0.842
   18   HG11  VAL   3          HG11      VAL   3  27.640  -1.404   2.713
   19   HG12  VAL   3          HG12      VAL   3  26.323  -1.776   1.601
   20   HG13  VAL   3          HG13      VAL   3  26.791  -0.100   1.884
   21   HG21  VAL   3          HG21      VAL   3  27.996  -3.323   0.369
   22   HG22  VAL   3          HG22      VAL   3  29.225  -2.831   1.533
   23   HG23  VAL   3          HG23      VAL   3  29.515  -2.625  -0.194
   24    H    LYS   4           HN       LYS   4  27.562   1.382  -1.989
   25    HA   LYS   4           HA       LYS   4  29.855   0.606  -3.638
   26    HB2  LYS   4           HB2      LYS   4  27.620   2.576  -3.977
   27    HB3  LYS   4           HB1      LYS   4  29.101   2.750  -4.902
   28    HG2  LYS   4           HG2      LYS   4  28.785   0.509  -5.832
   29    HG3  LYS   4           HG1      LYS   4  27.292   0.344  -4.906
   30    HD2  LYS   4           HD2      LYS   4  26.338   2.252  -6.102
   31    HD3  LYS   4           HD1      LYS   4  27.835   2.429  -7.020
   32    HE2  LYS   4           HE2      LYS   4  27.514   0.189  -7.962
   33    HE3  LYS   4           HE1      LYS   4  26.013   0.024  -7.049
   34    HZ1  LYS   4           HZ1      LYS   4  26.546   2.058  -9.148
   35    HZ2  LYS   4           HZ2      LYS   4  25.107   1.899  -8.276
   36    HZ3  LYS   4           HZ3      LYS   4  25.591   0.673  -9.335
   37    H    ASP   5           HN       ASP   5  28.690   3.163  -1.490
   38    HA   ASP   5           HA       ASP   5  31.241   4.578  -1.658
   39    HB2  ASP   5           HB2      ASP   5  28.833   5.638  -1.640
   40    HB3  ASP   5           HB1      ASP   5  28.984   5.455   0.104
   41    H    GLY   6           HN       GLY   6  29.332   2.662   0.590
   42    HA2  GLY   6           HA2      GLY   6  31.212   3.134   2.777
   43    HA3  GLY   6           HA1      GLY   6  29.704   2.248   2.877
   44    H    LYS   7           HN       LYS   7  32.503   1.874   0.737
   45    HA   LYS   7           HA       LYS   7  32.964  -0.805   1.861
   46    HB2  LYS   7           HB2      LYS   7  31.740  -0.606  -0.481
   47    HB3  LYS   7           HB1      LYS   7  33.376  -0.351  -1.069
   48    HG2  LYS   7           HG2      LYS   7  34.060  -2.495  -0.117
   49    HG3  LYS   7           HG1      LYS   7  32.421  -2.749   0.486
   50    HD2  LYS   7           HD2      LYS   7  31.572  -2.712  -1.810
   51    HD3  LYS   7           HD1      LYS   7  33.209  -2.451  -2.413
   52    HE2  LYS   7           HE2      LYS   7  33.898  -4.600  -1.466
   53    HE3  LYS   7           HE1      LYS   7  32.261  -4.859  -0.862
   54    HZ1  LYS   7           HZ1      LYS   7  32.641  -6.041  -2.932
   55    HZ2  LYS   7           HZ2      LYS   7  33.029  -4.598  -3.720
   56    HZ3  LYS   7           HZ3      LYS   7  31.460  -4.848  -3.142
   57    H    CYS   8           HN       CYS   8  34.351   1.672  -0.316
   58    HA   CYS   8           HA       CYS   8  36.951   1.242   0.968
   59    HB2  CYS   8           HB2      CYS   8  36.245   1.239  -1.907
   60    HB3  CYS   8           HB1      CYS   8  37.720   2.083  -1.463
   61    HA   PRO   9           HA       PRO   9  36.662   5.933  -0.261
   62    HB2  PRO   9           HB2      PRO   9  33.853   6.532  -0.817
   63    HB3  PRO   9           HB1      PRO   9  35.274   6.815  -1.838
   64    HG2  PRO   9           HG2      PRO   9  33.397   5.000  -2.464
   65    HG3  PRO   9           HG1      PRO   9  35.112   4.787  -2.877
   66    HD2  PRO   9           HD2      PRO   9  33.565   3.601  -0.602
   67    HD3  PRO   9           HD1      PRO   9  34.717   2.823  -1.703
   68    H    SER  10           HN       SER  10  35.729   4.365   2.136
   69    HA   SER  10           HA       SER  10  34.425   6.550   3.626
   70    HB2  SER  10           HB2      SER  10  34.391   3.574   4.209
   71    HB3  SER  10           HB1      SER  10  33.638   4.815   5.211
   72    HG   SER  10           HG       SER  10  31.996   4.287   3.957
   73    H    GLY  11           HN       GLY  11  36.803   3.924   3.882
   74    HA2  GLY  11           HA2      GLY  11  38.570   5.645   5.440
   75    HA3  GLY  11           HA1      GLY  11  38.017   4.176   6.232
   76    H    ARG  12           HN       ARG  12  38.629   4.365   2.792
   77    HA   ARG  12           HA       ARG  12  41.151   2.912   3.066
   78    HB2  ARG  12           HB2      ARG  12  39.043   1.434   2.673
   79    HB3  ARG  12           HB1      ARG  12  39.085   2.081   1.041
   80    HG2  ARG  12           HG2      ARG  12  41.067   1.012   0.527
   81    HG3  ARG  12           HG1      ARG  12  41.511   0.821   2.225
   82    HD2  ARG  12           HD2      ARG  12  39.690  -0.807   2.499
   83    HD3  ARG  12           HD1      ARG  12  39.285  -0.628   0.792
   84    HE   ARG  12           HE       ARG  12  41.959  -1.328   0.895
   85   HH11  ARG  12          HH11      ARG  12  39.501  -4.422   1.620
   86   HH12  ARG  12          HH12      ARG  12  38.917  -2.807   1.845
   87   HH21  ARG  12          HH21      ARG  12  41.641  -4.785   0.924
   88   HH22  ARG  12          HH22      ARG  12  42.701  -3.451   0.611
   89    H    VAL  13           HN       VAL  13  42.491   2.997   1.165
   90    HA   VAL  13           HA       VAL  13  42.031   5.413  -0.424
   91    HB   VAL  13           HB       VAL  13  44.152   5.229   0.883
   92   HG11  VAL  13          HG11      VAL  13  44.645   2.881   0.706
   93   HG12  VAL  13          HG12      VAL  13  45.984   3.810   0.029
   94   HG13  VAL  13          HG13      VAL  13  44.831   3.012  -1.044
   95   HG21  VAL  13          HG21      VAL  13  45.646   6.015  -0.897
   96   HG22  VAL  13          HG22      VAL  13  44.038   6.730  -1.015
   97   HG23  VAL  13          HG23      VAL  13  44.504   5.423  -2.105
   98    H    ARG  14           HN       ARG  14  41.780   5.383  -2.596
   99    HA   ARG  14           HA       ARG  14  41.894   2.760  -3.935
  100    HB2  ARG  14           HB2      ARG  14  39.613   4.025  -3.571
  101    HB3  ARG  14           HB1      ARG  14  40.149   4.968  -4.954
  102    HG2  ARG  14           HG2      ARG  14  40.430   2.807  -6.199
  103    HG3  ARG  14           HG1      ARG  14  39.643   2.003  -4.840
  104    HD2  ARG  14           HD2      ARG  14  37.951   2.392  -6.433
  105    HD3  ARG  14           HD1      ARG  14  37.718   3.603  -5.175
  106    HE   ARG  14           HE       ARG  14  39.298   4.816  -7.067
  107   HH11  ARG  14          HH11      ARG  14  35.517   4.375  -8.353
  108   HH12  ARG  14          HH12      ARG  14  36.104   3.355  -7.082
  109   HH21  ARG  14          HH21      ARG  14  38.510   6.140  -8.731
  110   HH22  ARG  14          HH22      ARG  14  36.879   5.949  -9.285
  111    H    ARG  15           HN       ARG  15  42.868   2.590  -5.876
  112    HA   ARG  15           HA       ARG  15  43.752   4.885  -7.390
  113    HB2  ARG  15           HB2      ARG  15  45.504   3.887  -5.446
  114    HB3  ARG  15           HB1      ARG  15  46.076   3.193  -6.956
  115    HG2  ARG  15           HG2      ARG  15  46.195   5.437  -7.933
  116    HG3  ARG  15           HG1      ARG  15  45.646   6.122  -6.403
  117    HD2  ARG  15           HD2      ARG  15  47.624   5.200  -5.289
  118    HD3  ARG  15           HD1      ARG  15  48.172   4.526  -6.824
  119    HE   ARG  15           HE       ARG  15  47.791   7.255  -7.205
  120   HH11  ARG  15          HH11      ARG  15  51.207   6.347  -5.299
  121   HH12  ARG  15          HH12      ARG  15  49.913   5.196  -5.309
  122   HH21  ARG  15          HH21      ARG  15  49.498   8.744  -7.178
  123   HH22  ARG  15          HH22      ARG  15  50.972   8.352  -6.355
  124    H    LEU  16           HN       LEU  16  43.454   4.360  -9.465
  125    HA   LEU  16           HA       LEU  16  43.264   3.242 -11.421
  126    HB2  LEU  16           HB2      LEU  16  45.109   1.268 -10.082
  127    HB3  LEU  16           HB1      LEU  16  44.604   1.136 -11.754
  128    HG   LEU  16           HG       LEU  16  45.576   3.607 -11.872
  129   HD11  LEU  16          HD11      LEU  16  47.558   3.856 -10.484
  130   HD12  LEU  16          HD12      LEU  16  47.189   2.341  -9.660
  131   HD13  LEU  16          HD13      LEU  16  46.110   3.725  -9.486
  132   HD21  LEU  16          HD21      LEU  16  47.700   2.640 -12.631
  133   HD22  LEU  16          HD22      LEU  16  46.310   1.741 -13.242
  134   HD23  LEU  16          HD23      LEU  16  47.253   1.099 -11.897
  135    H    GLY  17           HN       GLY  17  41.805   2.233  -8.708
  136    HA2  GLY  17           HA2      GLY  17  39.605   1.250  -8.887
  137    HA3  GLY  17           HA1      GLY  17  40.220   0.216 -10.164
  138    H    ILE  18           HN       ILE  18  42.492   0.415  -7.703
  139    HA   ILE  18           HA       ILE  18  41.436  -2.018  -6.410
  140    HB   ILE  18           HB       ILE  18  43.854  -2.695  -6.021
  141   HG12  ILE  18          HG12      ILE  18  44.664  -1.205  -8.466
  142   HG13  ILE  18          HG11      ILE  18  44.550  -0.256  -6.988
  143   HG21  ILE  18          HG21      ILE  18  42.791  -2.659  -8.850
  144   HG22  ILE  18          HG22      ILE  18  42.389  -3.834  -7.599
  145   HG23  ILE  18          HG23      ILE  18  44.031  -3.754  -8.239
  146   HD11  ILE  18          HD11      ILE  18  46.811  -1.058  -7.347
  147   HD12  ILE  18          HD12      ILE  18  46.230  -2.724  -7.376
  148   HD13  ILE  18          HD13      ILE  18  46.116  -1.777  -5.892
  149    H    CYS  19           HN       CYS  19  41.423  -2.131  -4.253
  150    HA   CYS  19           HA       CYS  19  42.231   0.249  -2.760
  151    HB2  CYS  19           HB2      CYS  19  40.457  -2.088  -2.039
  152    HB3  CYS  19           HB1      CYS  19  40.869  -0.793  -0.922
  153    H    VAL  20           HN       VAL  20  43.749   0.260  -1.198
  154    HA   VAL  20           HA       VAL  20  44.891  -2.246  -0.245
  155    HB   VAL  20           HB       VAL  20  47.244  -1.267  -0.522
  156   HG11  VAL  20          HG11      VAL  20  46.445  -3.192  -1.786
  157   HG12  VAL  20          HG12      VAL  20  47.457  -2.165  -2.805
  158   HG13  VAL  20          HG13      VAL  20  45.702  -2.124  -2.976
  159   HG21  VAL  20          HG21      VAL  20  46.632   1.025  -1.154
  160   HG22  VAL  20          HG22      VAL  20  45.834   0.424  -2.606
  161   HG23  VAL  20          HG23      VAL  20  47.581   0.260  -2.430
  162    HA   PRO  21           HA       PRO  21  45.129   0.026   3.593
  163    HB2  PRO  21           HB2      PRO  21  47.487  -1.385   4.537
  164    HB3  PRO  21           HB1      PRO  21  45.800  -1.602   5.030
  165    HG2  PRO  21           HG2      PRO  21  47.190  -3.477   3.659
  166    HG3  PRO  21           HG1      PRO  21  45.430  -3.281   3.539
  167    HD2  PRO  21           HD2      PRO  21  47.563  -2.337   1.663
  168    HD3  PRO  21           HD1      PRO  21  45.990  -3.082   1.307
  169    H    ASP  22           HN       ASP  22  45.916   1.962   4.169
  170    HA   ASP  22           HA       ASP  22  48.653   2.676   3.340
  171    HB2  ASP  22           HB2      ASP  22  46.554   3.852   2.296
  172    HB3  ASP  22           HB1      ASP  22  46.529   4.744   3.812
  173    H    ASP  23           HN       ASP  23  46.160   3.358   5.811
  174    HA   ASP  23           HA       ASP  23  48.310   4.046   7.704
  175    HB2  ASP  23           HB2      ASP  23  45.424   4.920   7.588
  176    HB3  ASP  23           HB1      ASP  23  46.441   5.182   9.000
  177    H    ASP  24           HN       ASP  24  45.495   2.031   7.172
  178    HA   ASP  24           HA       ASP  24  45.584   0.922   9.853
  179    HB2  ASP  24           HB2      ASP  24  43.742   0.579   7.495
  180    HB3  ASP  24           HB1      ASP  24  43.656  -0.489   8.887
  181    H    TYR  25           HN       TYR  25  47.912   0.332   9.084
  182    HA   TYR  25           HA       TYR  25  47.991  -2.245   7.699
  183    HB2  TYR  25           HB2      TYR  25  49.582  -0.248   7.216
  184    HB3  TYR  25           HB1      TYR  25  50.403  -0.741   8.691
  185    HD1  TYR  25           HD1      TYR  25  49.719  -1.583   5.205
  186    HD2  TYR  25           HD2      TYR  25  51.617  -2.864   8.789
  187    HE1  TYR  25           HE1      TYR  25  50.999  -3.246   3.924
  188    HE2  TYR  25           HE2      TYR  25  52.904  -4.530   7.519
  189    HH   TYR  25           HH       TYR  25  52.737  -5.760   5.398
  Start of MODEL   18
    1    H1   PHE   1           HT1      PHE   1  23.093   1.001  -6.637
    2    H2   PHE   1           HT2      PHE   1  22.260   2.241  -5.844
    3    H3   PHE   1           HT3      PHE   1  23.211   1.160  -4.956
    4    HA   PHE   1           HA       PHE   1  25.204   1.968  -6.005
    5    HB2  PHE   1           HB2      PHE   1  23.775   2.654  -8.094
    6    HB3  PHE   1           HB1      PHE   1  23.603   4.186  -7.247
    7    HD1  PHE   1           HD1      PHE   1  25.909   1.951  -8.988
    8    HD2  PHE   1           HD2      PHE   1  25.496   5.662  -6.947
    9    HE1  PHE   1           HE1      PHE   1  28.086   2.677  -9.876
   10    HE2  PHE   1           HE2      PHE   1  27.672   6.396  -7.831
   11    HZ   PHE   1           HZ       PHE   1  28.969   4.901  -9.299
   12    H    GLY   2           HN       GLY   2  26.324   3.155  -4.595
   13    HA2  GLY   2           HA2      GLY   2  26.262   5.521  -3.550
   14    HA3  GLY   2           HA1      GLY   2  24.825   4.894  -2.756
   15    H    VAL   3           HN       VAL   3  25.511   4.907  -0.677
   16    HA   VAL   3           HA       VAL   3  27.538   2.934   0.034
   17    HB   VAL   3           HB       VAL   3  28.428   4.529   1.831
   18   HG11  VAL   3          HG11      VAL   3  29.042   5.077  -1.068
   19   HG12  VAL   3          HG12      VAL   3  29.751   3.811  -0.066
   20   HG13  VAL   3          HG13      VAL   3  30.073   5.507   0.297
   21   HG21  VAL   3          HG21      VAL   3  26.753   6.301   1.649
   22   HG22  VAL   3          HG22      VAL   3  27.241   6.608  -0.018
   23   HG23  VAL   3          HG23      VAL   3  28.365   6.929   1.302
   24    H    LYS   4           HN       LYS   4  26.512   1.540   1.264
   25    HA   LYS   4           HA       LYS   4  24.351   2.409   3.022
   26    HB2  LYS   4           HB2      LYS   4  25.215  -0.244   1.916
   27    HB3  LYS   4           HB1      LYS   4  24.135  -0.161   3.295
   28    HG2  LYS   4           HG2      LYS   4  22.539   1.138   1.972
   29    HG3  LYS   4           HG1      LYS   4  23.630   1.052   0.587
   30    HD2  LYS   4           HD2      LYS   4  23.437  -1.393   0.594
   31    HD3  LYS   4           HD1      LYS   4  22.345  -1.302   1.976
   32    HE2  LYS   4           HE2      LYS   4  20.965  -1.556   0.077
   33    HE3  LYS   4           HE1      LYS   4  20.850   0.142   0.535
   34    HZ1  LYS   4           HZ1      LYS   4  22.562  -0.950  -1.636
   35    HZ2  LYS   4           HZ2      LYS   4  22.447   0.680  -1.200
   36    HZ3  LYS   4           HZ3      LYS   4  21.106  -0.117  -1.853
   37    H    ASP   5           HN       ASP   5  27.451   0.689   3.143
   38    HA   ASP   5           HA       ASP   5  27.522   1.143   6.053
   39    HB2  ASP   5           HB2      ASP   5  27.172  -1.307   5.191
   40    HB3  ASP   5           HB1      ASP   5  28.892  -1.229   4.822
   41    H    GLY   6           HN       GLY   6  29.430   0.629   3.096
   42    HA2  GLY   6           HA2      GLY   6  31.216   2.062   2.450
   43    HA3  GLY   6           HA1      GLY   6  31.452   2.487   4.139
   44    H    LYS   7           HN       LYS   7  32.493   0.563   1.571
   45    HA   LYS   7           HA       LYS   7  33.939  -1.305   3.308
   46    HB2  LYS   7           HB2      LYS   7  32.557  -1.916   1.133
   47    HB3  LYS   7           HB1      LYS   7  34.045  -1.456   0.320
   48    HG2  LYS   7           HG2      LYS   7  34.377  -3.706   0.565
   49    HG3  LYS   7           HG1      LYS   7  35.131  -3.113   2.046
   50    HD2  LYS   7           HD2      LYS   7  33.082  -3.597   3.289
   51    HD3  LYS   7           HD1      LYS   7  32.309  -4.161   1.807
   52    HE2  LYS   7           HE2      LYS   7  33.992  -5.933   1.615
   53    HE3  LYS   7           HE1      LYS   7  34.747  -5.373   3.106
   54    HZ1  LYS   7           HZ1      LYS   7  33.296  -7.261   3.502
   55    HZ2  LYS   7           HZ2      LYS   7  31.977  -6.418   2.859
   56    HZ3  LYS   7           HZ3      LYS   7  32.704  -5.885   4.290
   57    H    CYS   8           HN       CYS   8  34.522   0.977   0.629
   58    HA   CYS   8           HA       CYS   8  37.331   1.141   1.467
   59    HB2  CYS   8           HB2      CYS   8  36.076   1.061  -1.221
   60    HB3  CYS   8           HB1      CYS   8  37.472   2.106  -1.015
   61    HA   PRO   9           HA       PRO   9  35.956   5.709   0.474
   62    HB2  PRO   9           HB2      PRO   9  33.027   5.746   0.606
   63    HB3  PRO   9           HB1      PRO   9  34.094   6.336  -0.679
   64    HG2  PRO   9           HG2      PRO   9  32.526   4.193  -1.014
   65    HG3  PRO   9           HG1      PRO   9  34.126   4.330  -1.775
   66    HD2  PRO   9           HD2      PRO   9  33.344   2.827   0.696
   67    HD3  PRO   9           HD1      PRO   9  34.364   2.310  -0.658
   68    H    SER  10           HN       SER  10  35.909   4.016   2.968
   69    HA   SER  10           HA       SER  10  34.639   5.957   4.789
   70    HB2  SER  10           HB2      SER  10  35.194   3.015   5.266
   71    HB3  SER  10           HB1      SER  10  34.496   4.126   6.446
   72    HG   SER  10           HG       SER  10  32.643   3.750   5.557
   73    H    GLY  11           HN       GLY  11  37.416   3.822   4.296
   74    HA2  GLY  11           HA2      GLY  11  39.235   5.756   5.419
   75    HA3  GLY  11           HA1      GLY  11  39.037   4.323   6.421
   76    H    ARG  12           HN       ARG  12  38.966   4.454   2.898
   77    HA   ARG  12           HA       ARG  12  41.540   3.064   2.748
   78    HB2  ARG  12           HB2      ARG  12  39.324   1.619   2.620
   79    HB3  ARG  12           HB1      ARG  12  39.286   2.215   0.968
   80    HG2  ARG  12           HG2      ARG  12  41.134   1.026   0.347
   81    HG3  ARG  12           HG1      ARG  12  41.793   0.985   1.985
   82    HD2  ARG  12           HD2      ARG  12  40.059  -0.607   2.644
   83    HD3  ARG  12           HD1      ARG  12  39.386  -0.553   1.016
   84    HE   ARG  12           HE       ARG  12  42.101  -1.283   0.881
   85   HH11  ARG  12          HH11      ARG  12  39.506  -4.266   1.593
   86   HH12  ARG  12          HH12      ARG  12  39.019  -2.631   1.893
   87   HH21  ARG  12          HH21      ARG  12  41.596  -4.717   0.803
   88   HH22  ARG  12          HH22      ARG  12  42.715  -3.432   0.496
   89    H    VAL  13           HN       VAL  13  42.537   3.162   0.618
   90    HA   VAL  13           HA       VAL  13  41.761   5.594  -0.839
   91    HB   VAL  13           HB       VAL  13  44.028   5.542   0.240
   92   HG11  VAL  13          HG11      VAL  13  45.853   4.315  -0.846
   93   HG12  VAL  13          HG12      VAL  13  44.677   3.490  -1.871
   94   HG13  VAL  13          HG13      VAL  13  44.656   3.235  -0.126
   95   HG21  VAL  13          HG21      VAL  13  45.227   6.518  -1.663
   96   HG22  VAL  13          HG22      VAL  13  43.565   7.096  -1.557
   97   HG23  VAL  13          HG23      VAL  13  44.000   5.878  -2.756
   98    H    ARG  14           HN       ARG  14  41.813   5.635  -3.124
   99    HA   ARG  14           HA       ARG  14  41.700   3.006  -4.452
  100    HB2  ARG  14           HB2      ARG  14  39.809   5.336  -4.700
  101    HB3  ARG  14           HB1      ARG  14  39.940   4.114  -5.955
  102    HG2  ARG  14           HG2      ARG  14  39.604   2.879  -3.373
  103    HG3  ARG  14           HG1      ARG  14  38.315   4.043  -3.682
  104    HD2  ARG  14           HD2      ARG  14  37.492   2.054  -4.573
  105    HD3  ARG  14           HD1      ARG  14  38.117   2.909  -5.979
  106    HE   ARG  14           HE       ARG  14  40.192   1.337  -5.127
  107   HH11  ARG  14          HH11      ARG  14  37.255  -0.857  -6.773
  108   HH12  ARG  14          HH12      ARG  14  36.891   0.719  -6.154
  109   HH21  ARG  14          HH21      ARG  14  40.644  -0.734  -5.943
  110   HH22  ARG  14          HH22      ARG  14  39.376  -1.677  -6.653
  111    H    ARG  15           HN       ARG  15  42.894   2.818  -6.242
  112    HA   ARG  15           HA       ARG  15  43.535   5.039  -7.955
  113    HB2  ARG  15           HB2      ARG  15  45.290   4.585  -5.809
  114    HB3  ARG  15           HB1      ARG  15  46.086   3.886  -7.212
  115    HG2  ARG  15           HG2      ARG  15  45.844   6.016  -8.401
  116    HG3  ARG  15           HG1      ARG  15  45.070   6.713  -6.978
  117    HD2  ARG  15           HD2      ARG  15  47.832   5.514  -6.923
  118    HD3  ARG  15           HD1      ARG  15  47.534   7.215  -7.276
  119    HE   ARG  15           HE       ARG  15  46.237   6.561  -4.879
  120   HH11  ARG  15          HH11      ARG  15  50.158   7.364  -4.533
  121   HH12  ARG  15          HH12      ARG  15  49.517   6.924  -6.081
  122   HH21  ARG  15          HH21      ARG  15  47.099   7.137  -2.863
  123   HH22  ARG  15          HH22      ARG  15  48.789   7.484  -2.714
  124    H    LEU  16           HN       LEU  16  43.850   4.347  -9.991
  125    HA   LEU  16           HA       LEU  16  44.088   3.036 -11.817
  126    HB2  LEU  16           HB2      LEU  16  45.871   1.452  -9.974
  127    HB3  LEU  16           HB1      LEU  16  45.692   1.095 -11.679
  128    HG   LEU  16           HG       LEU  16  46.379   3.652 -11.919
  129   HD11  LEU  16          HD11      LEU  16  48.051   4.280 -10.264
  130   HD12  LEU  16          HD12      LEU  16  47.700   2.819  -9.341
  131   HD13  LEU  16          HD13      LEU  16  46.470   4.069  -9.513
  132   HD21  LEU  16          HD21      LEU  16  48.308   1.398 -11.386
  133   HD22  LEU  16          HD22      LEU  16  48.697   2.908 -12.209
  134   HD23  LEU  16          HD23      LEU  16  47.549   1.780 -12.930
  135    H    GLY  17           HN       GLY  17  42.306   2.025  -9.272
  136    HA2  GLY  17           HA2      GLY  17  40.310   0.733  -9.701
  137    HA3  GLY  17           HA1      GLY  17  41.249  -0.270 -10.794
  138    H    ILE  18           HN       ILE  18  43.089   0.352  -8.082
  139    HA   ILE  18           HA       ILE  18  42.204  -2.143  -6.784
  140    HB   ILE  18           HB       ILE  18  44.586  -2.369  -5.943
  141   HG12  ILE  18          HG12      ILE  18  45.582  -0.829  -8.286
  142   HG13  ILE  18          HG11      ILE  18  45.032   0.125  -6.913
  143   HG21  ILE  18          HG21      ILE  18  44.085  -2.607  -8.913
  144   HG22  ILE  18          HG22      ILE  18  43.663  -3.798  -7.684
  145   HG23  ILE  18          HG23      ILE  18  45.358  -3.441  -8.022
  146   HD11  ILE  18          HD11      ILE  18  47.420  -0.273  -6.800
  147   HD12  ILE  18          HD12      ILE  18  47.149  -2.015  -6.845
  148   HD13  ILE  18          HD13      ILE  18  46.594  -1.072  -5.461
  149    H    CYS  19           HN       CYS  19  41.612  -2.046  -4.735
  150    HA   CYS  19           HA       CYS  19  42.082   0.452  -3.255
  151    HB2  CYS  19           HB2      CYS  19  39.706  -0.462  -3.792
  152    HB3  CYS  19           HB1      CYS  19  40.029  -1.607  -2.495
  153    H    VAL  20           HN       VAL  20  43.323   0.442  -1.500
  154    HA   VAL  20           HA       VAL  20  43.706  -2.024   0.010
  155    HB   VAL  20           HB       VAL  20  46.211  -1.516   0.183
  156   HG11  VAL  20          HG11      VAL  20  45.071  -2.491  -2.442
  157   HG12  VAL  20          HG12      VAL  20  45.329  -3.458  -0.991
  158   HG13  VAL  20          HG13      VAL  20  46.710  -2.793  -1.866
  159   HG21  VAL  20          HG21      VAL  20  47.243  -0.399  -1.756
  160   HG22  VAL  20          HG22      VAL  20  46.213   0.713  -0.850
  161   HG23  VAL  20          HG23      VAL  20  45.642   0.020  -2.369
  162    HA   PRO  21           HA       PRO  21  43.602   0.798   3.474
  163    HB2  PRO  21           HB2      PRO  21  45.143  -0.911   5.212
  164    HB3  PRO  21           HB1      PRO  21  43.384  -0.721   5.149
  165    HG2  PRO  21           HG2      PRO  21  44.695  -3.015   4.460
  166    HG3  PRO  21           HG1      PRO  21  43.096  -2.552   3.846
  167    HD2  PRO  21           HD2      PRO  21  45.767  -2.305   2.525
  168    HD3  PRO  21           HD1      PRO  21  44.201  -2.781   1.835
  169    H    ASP  22           HN       ASP  22  44.813   2.181   4.844
  170    HA   ASP  22           HA       ASP  22  47.723   2.213   4.470
  171    HB2  ASP  22           HB2      ASP  22  45.839   4.517   3.954
  172    HB3  ASP  22           HB1      ASP  22  47.557   4.752   4.259
  173    H    ASP  23           HN       ASP  23  48.553   2.021   6.452
  174    HA   ASP  23           HA       ASP  23  47.464   3.689   8.614
  175    HB2  ASP  23           HB2      ASP  23  48.138   0.750   8.762
  176    HB3  ASP  23           HB1      ASP  23  47.986   1.766  10.192
  177    H    ASP  24           HN       ASP  24  50.215   1.784   7.435
  178    HA   ASP  24           HA       ASP  24  52.008   3.630   8.861
  179    HB2  ASP  24           HB2      ASP  24  53.636   1.689   9.041
  180    HB3  ASP  24           HB1      ASP  24  52.217   1.600  10.072
  181    H    TYR  25           HN       TYR  25  51.786   1.349   6.133
  182    HA   TYR  25           HA       TYR  25  53.453   3.181   4.552
  183    HB2  TYR  25           HB2      TYR  25  53.799   0.191   4.799
  184    HB3  TYR  25           HB1      TYR  25  54.466   1.114   3.456
  185    HD1  TYR  25           HD1      TYR  25  54.733   0.381   7.031
  186    HD2  TYR  25           HD2      TYR  25  56.327   2.647   3.802
  187    HE1  TYR  25           HE1      TYR  25  56.723   0.893   8.381
  188    HE2  TYR  25           HE2      TYR  25  58.322   3.166   5.142
  189    HH   TYR  25           HH       TYR  25  59.066   1.552   8.034
  Start of MODEL   19
    1    H1   PHE   1           HT1      PHE   1  19.559   7.953   1.864
    2    H2   PHE   1           HT2      PHE   1  18.429   6.699   1.764
    3    H3   PHE   1           HT3      PHE   1  19.009   7.427   0.352
    4    HA   PHE   1           HA       PHE   1  20.027   5.272   0.695
    5    HB2  PHE   1           HB2      PHE   1  21.241   7.397  -0.238
    6    HB3  PHE   1           HB1      PHE   1  22.158   7.313   1.260
    7    HD1  PHE   1           HD1      PHE   1  21.500   5.720  -1.960
    8    HD2  PHE   1           HD2      PHE   1  23.716   5.504   1.666
    9    HE1  PHE   1           HE1      PHE   1  23.002   4.060  -2.981
   10    HE2  PHE   1           HE2      PHE   1  25.223   3.844   0.652
   11    HZ   PHE   1           HZ       PHE   1  24.866   3.121  -1.675
   12    H    GLY   2           HN       GLY   2  20.752   3.760   2.065
   13    HA2  GLY   2           HA2      GLY   2  21.090   4.528   4.888
   14    HA3  GLY   2           HA1      GLY   2  20.638   2.930   4.314
   15    H    VAL   3           HN       VAL   3  22.200   1.637   5.062
   16    HA   VAL   3           HA       VAL   3  24.904   2.066   4.077
   17    HB   VAL   3           HB       VAL   3  24.911   3.061   6.332
   18   HG11  VAL   3          HG11      VAL   3  23.183   1.777   7.435
   19   HG12  VAL   3          HG12      VAL   3  24.688   1.697   8.351
   20   HG13  VAL   3          HG13      VAL   3  24.183   0.326   7.363
   21   HG21  VAL   3          HG21      VAL   3  26.523   0.522   6.148
   22   HG22  VAL   3          HG22      VAL   3  26.843   1.859   7.253
   23   HG23  VAL   3          HG23      VAL   3  26.970   2.104   5.511
   24    H    LYS   4           HN       LYS   4  25.389   0.337   2.963
   25    HA   LYS   4           HA       LYS   4  24.440  -2.301   3.871
   26    HB2  LYS   4           HB2      LYS   4  23.679  -1.212   1.580
   27    HB3  LYS   4           HB1      LYS   4  25.236  -1.803   1.026
   28    HG2  LYS   4           HG2      LYS   4  23.379  -3.681   2.422
   29    HG3  LYS   4           HG1      LYS   4  23.085  -3.255   0.737
   30    HD2  LYS   4           HD2      LYS   4  25.343  -4.010   0.155
   31    HD3  LYS   4           HD1      LYS   4  25.635  -4.437   1.842
   32    HE2  LYS   4           HE2      LYS   4  23.807  -6.060   1.744
   33    HE3  LYS   4           HE1      LYS   4  23.511  -5.628   0.060
   34    HZ1  LYS   4           HZ1      LYS   4  24.828  -7.642   0.240
   35    HZ2  LYS   4           HZ2      LYS   4  26.013  -6.823   1.126
   36    HZ3  LYS   4           HZ3      LYS   4  25.730  -6.411  -0.490
   37    H    ASP   5           HN       ASP   5  27.120  -0.604   2.255
   38    HA   ASP   5           HA       ASP   5  28.971  -2.626   3.328
   39    HB2  ASP   5           HB2      ASP   5  28.439  -2.701   0.754
   40    HB3  ASP   5           HB1      ASP   5  29.522  -1.316   0.684
   41    H    GLY   6           HN       GLY   6  30.654  -1.821   4.412
   42    HA2  GLY   6           HA2      GLY   6  31.616   0.883   3.887
   43    HA3  GLY   6           HA1      GLY   6  30.949   0.589   5.484
   44    H    LYS   7           HN       LYS   7  33.429  -0.455   3.207
   45    HA   LYS   7           HA       LYS   7  35.164  -1.133   5.485
   46    HB2  LYS   7           HB2      LYS   7  34.133  -3.113   4.092
   47    HB3  LYS   7           HB1      LYS   7  35.365  -2.675   2.918
   48    HG2  LYS   7           HG2      LYS   7  36.453  -4.305   4.107
   49    HG3  LYS   7           HG1      LYS   7  36.972  -2.863   4.980
   50    HD2  LYS   7           HD2      LYS   7  35.223  -3.246   6.653
   51    HD3  LYS   7           HD1      LYS   7  34.697  -4.684   5.776
   52    HE2  LYS   7           HE2      LYS   7  36.053  -5.465   7.542
   53    HE3  LYS   7           HE1      LYS   7  37.046  -5.572   6.090
   54    HZ1  LYS   7           HZ1      LYS   7  38.122  -3.499   6.718
   55    HZ2  LYS   7           HZ2      LYS   7  38.289  -4.653   7.943
   56    HZ3  LYS   7           HZ3      LYS   7  37.168  -3.398   8.112
   57    H    CYS   8           HN       CYS   8  35.033  -0.322   2.019
   58    HA   CYS   8           HA       CYS   8  37.723   0.821   2.218
   59    HB2  CYS   8           HB2      CYS   8  36.211  -0.450   0.009
   60    HB3  CYS   8           HB1      CYS   8  37.278   0.879  -0.421
   61    HA   PRO   9           HA       PRO   9  35.146   4.416   0.228
   62    HB2  PRO   9           HB2      PRO   9  32.318   3.916   0.758
   63    HB3  PRO   9           HB1      PRO   9  33.126   4.188  -0.796
   64    HG2  PRO   9           HG2      PRO   9  32.058   1.814  -0.120
   65    HG3  PRO   9           HG1      PRO   9  33.490   1.964  -1.160
   66    HD2  PRO   9           HD2      PRO   9  33.350   1.325   1.764
   67    HD3  PRO   9           HD1      PRO   9  34.324   0.562   0.491
   68    H    SER  10           HN       SER  10  35.714   3.650   3.085
   69    HA   SER  10           HA       SER  10  34.056   5.663   4.461
   70    HB2  SER  10           HB2      SER  10  33.978   3.321   5.366
   71    HB3  SER  10           HB1      SER  10  35.697   3.461   5.738
   72    HG   SER  10           HG       SER  10  33.691   5.210   6.726
   73    H    GLY  11           HN       GLY  11  37.359   4.488   3.994
   74    HA2  GLY  11           HA2      GLY  11  38.529   7.055   4.042
   75    HA3  GLY  11           HA1      GLY  11  38.744   6.299   5.615
   76    H    ARG  12           HN       ARG  12  38.813   5.011   2.306
   77    HA   ARG  12           HA       ARG  12  41.506   3.947   2.824
   78    HB2  ARG  12           HB2      ARG  12  39.214   2.521   2.353
   79    HB3  ARG  12           HB1      ARG  12  39.893   2.644   0.736
   80    HG2  ARG  12           HG2      ARG  12  40.856   0.700   1.437
   81    HG3  ARG  12           HG1      ARG  12  42.084   1.860   1.942
   82    HD2  ARG  12           HD2      ARG  12  39.900   0.854   3.760
   83    HD3  ARG  12           HD1      ARG  12  41.490   0.103   3.644
   84    HE   ARG  12           HE       ARG  12  41.922   2.790   4.157
   85   HH11  ARG  12          HH11      ARG  12  40.719   0.743   7.397
   86   HH12  ARG  12          HH12      ARG  12  40.387   0.106   5.821
   87   HH21  ARG  12          HH21      ARG  12  41.828   2.722   7.626
   88   HH22  ARG  12          HH22      ARG  12  42.347   3.605   6.228
   89    H    VAL  13           HN       VAL  13  42.825   3.601   0.846
   90    HA   VAL  13           HA       VAL  13  42.628   5.909  -0.914
   91    HB   VAL  13           HB       VAL  13  44.777   5.332   0.233
   92   HG11  VAL  13          HG11      VAL  13  44.774   2.929   0.113
   93   HG12  VAL  13          HG12      VAL  13  46.203   3.550  -0.713
   94   HG13  VAL  13          HG13      VAL  13  44.823   2.978  -1.651
   95   HG21  VAL  13          HG21      VAL  13  46.232   5.752  -1.700
   96   HG22  VAL  13          HG22      VAL  13  44.800   6.781  -1.706
   97   HG23  VAL  13          HG23      VAL  13  44.888   5.384  -2.779
   98    H    ARG  14           HN       ARG  14  42.665   5.786  -3.189
   99    HA   ARG  14           HA       ARG  14  42.001   3.176  -4.367
  100    HB2  ARG  14           HB2      ARG  14  40.517   5.778  -4.722
  101    HB3  ARG  14           HB1      ARG  14  40.395   4.471  -5.890
  102    HG2  ARG  14           HG2      ARG  14  39.859   3.887  -3.016
  103    HG3  ARG  14           HG1      ARG  14  38.634   4.729  -3.964
  104    HD2  ARG  14           HD2      ARG  14  39.891   2.135  -4.839
  105    HD3  ARG  14           HD1      ARG  14  38.431   2.206  -3.854
  106    HE   ARG  14           HE       ARG  14  38.035   3.816  -6.101
  107   HH11  ARG  14          HH11      ARG  14  37.512  -0.114  -6.747
  108   HH12  ARG  14          HH12      ARG  14  38.441   0.404  -5.380
  109   HH21  ARG  14          HH21      ARG  14  36.822   3.116  -7.885
  110   HH22  ARG  14          HH22      ARG  14  36.597   1.422  -8.163
  111    H    ARG  15           HN       ARG  15  43.601   2.712  -5.683
  112    HA   ARG  15           HA       ARG  15  44.484   4.705  -7.649
  113    HB2  ARG  15           HB2      ARG  15  46.258   3.030  -5.872
  114    HB3  ARG  15           HB1      ARG  15  46.833   3.729  -7.378
  115    HG2  ARG  15           HG2      ARG  15  46.321   5.967  -6.537
  116    HG3  ARG  15           HG1      ARG  15  45.744   5.263  -5.026
  117    HD2  ARG  15           HD2      ARG  15  47.967   4.339  -4.606
  118    HD3  ARG  15           HD1      ARG  15  48.543   5.025  -6.125
  119    HE   ARG  15           HE       ARG  15  47.442   7.062  -4.515
  120   HH11  ARG  15          HH11      ARG  15  51.297   6.149  -3.844
  121   HH12  ARG  15          HH12      ARG  15  50.289   5.010  -4.673
  122   HH21  ARG  15          HH21      ARG  15  48.781   8.537  -3.432
  123   HH22  ARG  15          HH22      ARG  15  50.443   8.143  -3.143
  124    H    LEU  16           HN       LEU  16  44.744   3.937  -9.677
  125    HA   LEU  16           HA       LEU  16  44.673   2.589 -11.490
  126    HB2  LEU  16           HB2      LEU  16  45.822   0.638  -9.515
  127    HB3  LEU  16           HB1      LEU  16  45.481   0.162 -11.166
  128    HG   LEU  16           HG       LEU  16  46.969   2.229 -11.781
  129   HD11  LEU  16          HD11      LEU  16  47.231   3.153  -9.576
  130   HD12  LEU  16          HD12      LEU  16  48.793   2.561 -10.141
  131   HD13  LEU  16          HD13      LEU  16  47.867   1.624  -8.966
  132   HD21  LEU  16          HD21      LEU  16  47.514  -0.067 -12.330
  133   HD22  LEU  16          HD22      LEU  16  48.099  -0.343 -10.690
  134   HD23  LEU  16          HD23      LEU  16  48.950   0.779 -11.752
  135    H    GLY  17           HN       GLY  17  42.426   2.520  -9.286
  136    HA2  GLY  17           HA2      GLY  17  40.188   1.895  -9.598
  137    HA3  GLY  17           HA1      GLY  17  40.700   0.743 -10.820
  138    H    ILE  18           HN       ILE  18  42.359   0.724  -7.790
  139    HA   ILE  18           HA       ILE  18  40.709  -1.481  -6.788
  140    HB   ILE  18           HB       ILE  18  42.871  -2.680  -6.089
  141   HG12  ILE  18          HG12      ILE  18  44.623  -2.344  -8.056
  142   HG13  ILE  18          HG11      ILE  18  43.971  -0.711  -8.071
  143   HG21  ILE  18          HG21      ILE  18  42.952  -3.908  -8.219
  144   HG22  ILE  18          HG22      ILE  18  42.045  -2.609  -8.991
  145   HG23  ILE  18          HG23      ILE  18  41.297  -3.566  -7.713
  146   HD11  ILE  18          HD11      ILE  18  45.223  -2.091  -5.707
  147   HD12  ILE  18          HD12      ILE  18  44.571  -0.454  -5.718
  148   HD13  ILE  18          HD13      ILE  18  45.974  -0.850  -6.711
  149    H    CYS  19           HN       CYS  19  40.733  -1.814  -4.570
  150    HA   CYS  19           HA       CYS  19  41.638   0.492  -3.016
  151    HB2  CYS  19           HB2      CYS  19  39.255  -0.222  -2.880
  152    HB3  CYS  19           HB1      CYS  19  39.785  -1.757  -2.202
  153    H    VAL  20           HN       VAL  20  43.083   0.374  -1.386
  154    HA   VAL  20           HA       VAL  20  44.062  -2.236  -0.511
  155    HB   VAL  20           HB       VAL  20  46.458  -1.340  -0.616
  156   HG11  VAL  20          HG11      VAL  20  45.649  -3.142  -2.042
  157   HG12  VAL  20          HG12      VAL  20  46.745  -2.092  -2.943
  158   HG13  VAL  20          HG13      VAL  20  45.003  -1.967  -3.188
  159   HG21  VAL  20          HG21      VAL  20  46.943   0.291  -2.406
  160   HG22  VAL  20          HG22      VAL  20  45.979   1.011  -1.115
  161   HG23  VAL  20          HG23      VAL  20  45.213   0.546  -2.635
  162    HA   PRO  21           HA       PRO  21  44.194  -0.256   3.493
  163    HB2  PRO  21           HB2      PRO  21  46.526  -1.765   4.379
  164    HB3  PRO  21           HB1      PRO  21  44.830  -1.973   4.847
  165    HG2  PRO  21           HG2      PRO  21  46.169  -3.800   3.385
  166    HG3  PRO  21           HG1      PRO  21  44.422  -3.526   3.229
  167    HD2  PRO  21           HD2      PRO  21  46.645  -2.539   1.482
  168    HD3  PRO  21           HD1      PRO  21  45.064  -3.210   1.030
  169    H    ASP  22           HN       ASP  22  45.352   1.153   4.891
  170    HA   ASP  22           HA       ASP  22  47.820   2.265   3.730
  171    HB2  ASP  22           HB2      ASP  22  45.509   3.684   5.061
  172    HB3  ASP  22           HB1      ASP  22  47.069   4.452   4.789
  173    H    ASP  23           HN       ASP  23  49.514   1.771   4.970
  174    HA   ASP  23           HA       ASP  23  49.161   1.452   7.860
  175    HB2  ASP  23           HB2      ASP  23  50.326  -0.272   6.265
  176    HB3  ASP  23           HB1      ASP  23  51.709   0.807   6.411
  177    H    ASP  24           HN       ASP  24  51.170   3.177   5.492
  178    HA   ASP  24           HA       ASP  24  51.884   5.108   7.599
  179    HB2  ASP  24           HB2      ASP  24  53.744   3.477   6.752
  180    HB3  ASP  24           HB1      ASP  24  53.764   4.515   5.332
  181    H    TYR  25           HN       TYR  25  51.517   4.574   4.098
  182    HA   TYR  25           HA       TYR  25  50.673   7.379   3.838
  183    HB2  TYR  25           HB2      TYR  25  51.632   7.330   1.497
  184    HB3  TYR  25           HB1      TYR  25  52.811   7.335   2.799
  185    HD1  TYR  25           HD1      TYR  25  51.372   5.401   0.046
  186    HD2  TYR  25           HD2      TYR  25  54.196   5.369   3.226
  187    HE1  TYR  25           HE1      TYR  25  52.448   3.420  -0.936
  188    HE2  TYR  25           HE2      TYR  25  55.279   3.386   2.255
  189    HH   TYR  25           HH       TYR  25  54.713   1.534   0.744
  Start of MODEL   20
    1    H1   PHE   1           HT1      PHE   1  36.195   6.964 -12.448
    2    H2   PHE   1           HT2      PHE   1  36.947   7.967 -11.313
    3    H3   PHE   1           HT3      PHE   1  35.264   7.996 -11.484
    4    HA   PHE   1           HA       PHE   1  36.864   5.692 -10.533
    5    HB2  PHE   1           HB2      PHE   1  35.102   7.662  -9.060
    6    HB3  PHE   1           HB1      PHE   1  35.663   6.147  -8.363
    7    HD1  PHE   1           HD1      PHE   1  36.608   9.516  -9.399
    8    HD2  PHE   1           HD2      PHE   1  37.987   5.847  -7.742
    9    HE1  PHE   1           HE1      PHE   1  38.673  10.631  -8.658
   10    HE2  PHE   1           HE2      PHE   1  40.055   6.954  -7.000
   11    HZ   PHE   1           HZ       PHE   1  40.398   9.350  -7.456
   12    H    GLY   2           HN       GLY   2  35.688   3.856  -9.960
   13    HA2  GLY   2           HA2      GLY   2  32.866   3.793 -10.823
   14    HA3  GLY   2           HA1      GLY   2  34.001   2.571 -11.377
   15    H    VAL   3           HN       VAL   3  31.635   3.203  -9.188
   16    HA   VAL   3           HA       VAL   3  32.421   0.934  -7.532
   17    HB   VAL   3           HB       VAL   3  31.549   2.161  -5.461
   18   HG11  VAL   3          HG11      VAL   3  33.874   1.545  -5.749
   19   HG12  VAL   3          HG12      VAL   3  33.750   3.127  -4.977
   20   HG13  VAL   3          HG13      VAL   3  34.168   3.010  -6.686
   21   HG21  VAL   3          HG21      VAL   3  31.859   4.602  -5.417
   22   HG22  VAL   3          HG22      VAL   3  30.582   4.129  -6.537
   23   HG23  VAL   3          HG23      VAL   3  32.170   4.591  -7.154
   24    H    LYS   4           HN       LYS   4  30.860  -0.475  -7.771
   25    HA   LYS   4           HA       LYS   4  28.085   0.451  -8.052
   26    HB2  LYS   4           HB2      LYS   4  29.372  -1.140  -9.744
   27    HB3  LYS   4           HB1      LYS   4  28.882  -2.379  -8.598
   28    HG2  LYS   4           HG2      LYS   4  27.135  -2.451 -10.075
   29    HG3  LYS   4           HG1      LYS   4  26.513  -1.290  -8.903
   30    HD2  LYS   4           HD2      LYS   4  27.249   0.554 -10.339
   31    HD3  LYS   4           HD1      LYS   4  27.883  -0.606 -11.507
   32    HE2  LYS   4           HE2      LYS   4  25.628  -1.501 -11.836
   33    HE3  LYS   4           HE1      LYS   4  24.997  -0.338 -10.669
   34    HZ1  LYS   4           HZ1      LYS   4  24.658   0.413 -12.938
   35    HZ2  LYS   4           HZ2      LYS   4  26.321   0.339 -13.241
   36    HZ3  LYS   4           HZ3      LYS   4  25.715   1.453 -12.124
   37    H    ASP   5           HN       ASP   5  30.092  -1.945  -6.346
   38    HA   ASP   5           HA       ASP   5  27.886  -2.519  -4.517
   39    HB2  ASP   5           HB2      ASP   5  30.469  -3.915  -5.167
   40    HB3  ASP   5           HB1      ASP   5  29.572  -4.303  -3.709
   41    H    GLY   6           HN       GLY   6  31.344  -1.618  -4.433
   42    HA2  GLY   6           HA2      GLY   6  32.274   0.024  -3.014
   43    HA3  GLY   6           HA1      GLY   6  30.854  -0.090  -1.986
   44    H    LYS   7           HN       LYS   7  34.074  -1.012  -2.418
   45    HA   LYS   7           HA       LYS   7  33.938  -3.255  -0.557
   46    HB2  LYS   7           HB2      LYS   7  36.070  -2.150  -2.361
   47    HB3  LYS   7           HB1      LYS   7  36.477  -3.264  -1.069
   48    HG2  LYS   7           HG2      LYS   7  34.992  -4.940  -2.023
   49    HG3  LYS   7           HG1      LYS   7  34.540  -3.816  -3.305
   50    HD2  LYS   7           HD2      LYS   7  36.873  -3.759  -4.064
   51    HD3  LYS   7           HD1      LYS   7  37.310  -4.899  -2.791
   52    HE2  LYS   7           HE2      LYS   7  35.814  -6.566  -3.767
   53    HE3  LYS   7           HE1      LYS   7  35.359  -5.424  -5.030
   54    HZ1  LYS   7           HZ1      LYS   7  38.089  -6.503  -4.577
   55    HZ2  LYS   7           HZ2      LYS   7  37.652  -5.411  -5.792
   56    HZ3  LYS   7           HZ3      LYS   7  37.030  -6.983  -5.806
   57    H    CYS   8           HN       CYS   8  35.380  -0.032  -0.840
   58    HA   CYS   8           HA       CYS   8  36.058  -0.115   2.024
   59    HB2  CYS   8           HB2      CYS   8  37.601   1.842   1.370
   60    HB3  CYS   8           HB1      CYS   8  38.081   0.216   0.891
   61    HA   PRO   9           HA       PRO   9  32.825   3.060   2.080
   62    HB2  PRO   9           HB2      PRO   9  32.100   2.789   4.670
   63    HB3  PRO   9           HB1      PRO   9  31.622   1.620   3.425
   64    HG2  PRO   9           HG2      PRO   9  33.665   1.378   5.550
   65    HG3  PRO   9           HG1      PRO   9  32.664   0.128   4.790
   66    HD2  PRO   9           HD2      PRO   9  35.355   0.710   4.188
   67    HD3  PRO   9           HD1      PRO   9  34.265  -0.340   3.266
   68    H    SER  10           HN       SER  10  34.522   4.671   1.718
   69    HA   SER  10           HA       SER  10  35.672   6.564   2.149
   70    HB2  SER  10           HB2      SER  10  33.785   6.735   4.512
   71    HB3  SER  10           HB1      SER  10  34.776   8.063   3.910
   72    HG   SER  10           HG       SER  10  33.526   7.190   1.818
   73    H    GLY  11           HN       GLY  11  37.717   6.034   2.516
   74    HA2  GLY  11           HA2      GLY  11  39.128   6.679   4.708
   75    HA3  GLY  11           HA1      GLY  11  38.601   5.050   5.106
   76    H    ARG  12           HN       ARG  12  38.842   3.649   2.863
   77    HA   ARG  12           HA       ARG  12  41.727   3.684   2.361
   78    HB2  ARG  12           HB2      ARG  12  40.345   1.640   3.210
   79    HB3  ARG  12           HB1      ARG  12  39.859   1.482   1.530
   80    HG2  ARG  12           HG2      ARG  12  42.039   1.013   0.821
   81    HG3  ARG  12           HG1      ARG  12  42.748   1.584   2.333
   82    HD2  ARG  12           HD2      ARG  12  42.849  -0.767   2.429
   83    HD3  ARG  12           HD1      ARG  12  41.502  -0.313   3.467
   84    HE   ARG  12           HE       ARG  12  40.522  -0.827   0.888
   85   HH11  ARG  12          HH11      ARG  12  41.085  -4.069   3.191
   86   HH12  ARG  12          HH12      ARG  12  41.905  -2.596   3.588
   87   HH21  ARG  12          HH21      ARG  12  39.702  -4.164   1.381
   88   HH22  ARG  12          HH22      ARG  12  39.459  -2.767   0.387
   89    H    VAL  13           HN       VAL  13  42.483   4.475   0.512
   90    HA   VAL  13           HA       VAL  13  40.993   4.127  -1.961
   91    HB   VAL  13           HB       VAL  13  40.226   6.307  -1.054
   92   HG11  VAL  13          HG11      VAL  13  42.202   7.052   0.127
   93   HG12  VAL  13          HG12      VAL  13  41.707   8.261  -1.057
   94   HG13  VAL  13          HG13      VAL  13  43.081   7.209  -1.393
   95   HG21  VAL  13          HG21      VAL  13  40.570   7.632  -3.099
   96   HG22  VAL  13          HG22      VAL  13  40.144   5.953  -3.437
   97   HG23  VAL  13          HG23      VAL  13  41.817   6.492  -3.607
   98    H    ARG  14           HN       ARG  14  42.266   3.569  -3.588
   99    HA   ARG  14           HA       ARG  14  45.056   4.413  -3.628
  100    HB2  ARG  14           HB2      ARG  14  44.123   1.579  -3.555
  101    HB3  ARG  14           HB1      ARG  14  45.530   1.973  -4.522
  102    HG2  ARG  14           HG2      ARG  14  45.395   2.904  -1.689
  103    HG3  ARG  14           HG1      ARG  14  45.806   1.227  -2.037
  104    HD2  ARG  14           HD2      ARG  14  47.853   2.418  -1.844
  105    HD3  ARG  14           HD1      ARG  14  47.615   2.084  -3.558
  106    HE   ARG  14           HE       ARG  14  46.608   4.651  -2.782
  107   HH11  ARG  14          HH11      ARG  14  50.328   4.394  -4.277
  108   HH12  ARG  14          HH12      ARG  14  49.543   2.959  -3.708
  109   HH21  ARG  14          HH21      ARG  14  47.654   6.517  -3.536
  110   HH22  ARG  14          HH22      ARG  14  49.257   6.407  -4.178
  111    H    ARG  15           HN       ARG  15  45.991   3.298  -5.853
  112    HA   ARG  15           HA       ARG  15  44.514   4.699  -7.921
  113    HB2  ARG  15           HB2      ARG  15  47.311   3.605  -7.712
  114    HB3  ARG  15           HB1      ARG  15  46.659   4.135  -9.254
  115    HG2  ARG  15           HG2      ARG  15  46.248   6.367  -8.274
  116    HG3  ARG  15           HG1      ARG  15  47.006   5.815  -6.778
  117    HD2  ARG  15           HD2      ARG  15  49.086   5.388  -7.988
  118    HD3  ARG  15           HD1      ARG  15  48.327   5.917  -9.488
  119    HE   ARG  15           HE       ARG  15  48.194   7.909  -7.446
  120   HH11  ARG  15          HH11      ARG  15  51.260   8.015 -10.039
  121   HH12  ARG  15          HH12      ARG  15  50.327   6.563  -9.890
  122   HH21  ARG  15          HH21      ARG  15  49.428   9.799  -7.658
  123   HH22  ARG  15          HH22      ARG  15  50.751   9.845  -8.777
  124    H    LEU  16           HN       LEU  16  44.784   3.630 -10.211
  125    HA   LEU  16           HA       LEU  16  44.243   2.035 -11.723
  126    HB2  LEU  16           HB2      LEU  16  44.846   0.115  -9.476
  127    HB3  LEU  16           HB1      LEU  16  44.361  -0.405 -11.077
  128    HG   LEU  16           HG       LEU  16  46.431   1.140 -11.773
  129   HD11  LEU  16          HD11      LEU  16  46.964   1.819  -9.497
  130   HD12  LEU  16          HD12      LEU  16  48.267   0.852 -10.186
  131   HD13  LEU  16          HD13      LEU  16  47.152   0.129  -9.026
  132   HD21  LEU  16          HD21      LEU  16  47.786  -0.905 -11.827
  133   HD22  LEU  16          HD22      LEU  16  46.138  -1.189 -12.386
  134   HD23  LEU  16          HD23      LEU  16  46.620  -1.696 -10.766
  135    H    GLY  17           HN       GLY  17  42.558   2.385  -8.786
  136    HA2  GLY  17           HA2      GLY  17  40.121   2.697  -9.059
  137    HA3  GLY  17           HA1      GLY  17  40.127   1.244 -10.045
  138    H    ILE  18           HN       ILE  18  42.224   0.337  -7.864
  139    HA   ILE  18           HA       ILE  18  40.175  -0.782  -6.083
  140    HB   ILE  18           HB       ILE  18  41.948  -2.467  -5.433
  141   HG12  ILE  18          HG12      ILE  18  43.374  -1.971  -8.008
  142   HG13  ILE  18          HG11      ILE  18  43.764  -0.897  -6.668
  143   HG21  ILE  18          HG21      ILE  18  41.575  -3.848  -7.441
  144   HG22  ILE  18          HG22      ILE  18  41.020  -2.418  -8.308
  145   HG23  ILE  18          HG23      ILE  18  40.105  -3.016  -6.924
  146   HD11  ILE  18          HD11      ILE  18  45.317  -2.749  -6.769
  147   HD12  ILE  18          HD12      ILE  18  43.985  -3.900  -6.655
  148   HD13  ILE  18          HD13      ILE  18  44.351  -2.838  -5.296
  149    H    CYS  19           HN       CYS  19  40.304  -0.645  -3.892
  150    HA   CYS  19           HA       CYS  19  42.269   1.261  -2.837
  151    HB2  CYS  19           HB2      CYS  19  40.618   1.552  -0.958
  152    HB3  CYS  19           HB1      CYS  19  40.098   2.132  -2.532
  153    H    VAL  20           HN       VAL  20  43.719   0.638  -1.443
  154    HA   VAL  20           HA       VAL  20  43.258  -1.655   0.295
  155    HB   VAL  20           HB       VAL  20  45.592  -2.575  -0.253
  156   HG11  VAL  20          HG11      VAL  20  43.534  -3.763  -0.782
  157   HG12  VAL  20          HG12      VAL  20  44.717  -3.979  -2.075
  158   HG13  VAL  20          HG13      VAL  20  43.375  -2.854  -2.285
  159   HG21  VAL  20          HG21      VAL  20  45.146  -0.889  -2.722
  160   HG22  VAL  20          HG22      VAL  20  46.241  -2.268  -2.683
  161   HG23  VAL  20          HG23      VAL  20  46.540  -0.878  -1.639
  162    HA   PRO  21           HA       PRO  21  45.633   0.765   3.191
  163    HB2  PRO  21           HB2      PRO  21  46.986  -1.543   4.366
  164    HB3  PRO  21           HB1      PRO  21  45.683  -0.553   5.047
  165    HG2  PRO  21           HG2      PRO  21  45.307  -3.111   4.313
  166    HG3  PRO  21           HG1      PRO  21  44.032  -1.882   4.193
  167    HD2  PRO  21           HD2      PRO  21  45.819  -2.955   2.040
  168    HD3  PRO  21           HD1      PRO  21  44.069  -2.652   2.004
  169    H    ASP  22           HN       ASP  22  47.479   1.909   3.177
  170    HA   ASP  22           HA       ASP  22  49.782   0.838   1.705
  171    HB2  ASP  22           HB2      ASP  22  48.955   3.664   2.377
  172    HB3  ASP  22           HB1      ASP  22  50.510   3.264   1.656
  173    H    ASP  23           HN       ASP  23  48.772   1.438   4.876
  174    HA   ASP  23           HA       ASP  23  51.449   1.953   5.920
  175    HB2  ASP  23           HB2      ASP  23  48.732   1.841   7.234
  176    HB3  ASP  23           HB1      ASP  23  50.230   2.029   8.142
  177    H    ASP  24           HN       ASP  24  48.998  -0.590   5.899
  178    HA   ASP  24           HA       ASP  24  50.570  -2.326   7.606
  179    HB2  ASP  24           HB2      ASP  24  47.874  -2.556   6.289
  180    HB3  ASP  24           HB1      ASP  24  48.640  -3.935   7.063
  181    H    TYR  25           HN       TYR  25  49.566  -2.160   4.208
  182    HA   TYR  25           HA       TYR  25  51.255  -4.475   3.582
  183    HB2  TYR  25           HB2      TYR  25  48.790  -4.201   2.786
  184    HB3  TYR  25           HB1      TYR  25  49.464  -3.087   1.601
  185    HD1  TYR  25           HD1      TYR  25  50.865  -3.899  -0.214
  186    HD2  TYR  25           HD2      TYR  25  49.243  -6.587   2.658
  187    HE1  TYR  25           HE1      TYR  25  51.416  -5.794  -1.683
  188    HE2  TYR  25           HE2      TYR  25  49.790  -8.489   1.198
  189    HH   TYR  25           HH       TYR  25  50.198  -8.919  -1.191