*HEADER    BIOSYNTHETIC PROTEIN                    20-NOV-19   6V1N              
*TITLE     CSP1-E1A-CYC(DAP6E10)                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 1;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CSP-1;                                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 OTHER_DETAILS: DPP AND GLU WERE CHEMICALLY ADDED TO THE 6TH AND 10TH 
*COMPND   8 POSITIONS AND THEN CYCLIZED. HOWEVER, DURING STRUCTURE CALCULATION,  
*COMPND   9 GLU10 WAS LABELED AS GLN10 TO CONSTRUCT THE MACROCYCLE FOR           
*COMPND  10 CONVENIENCE. GLN10 WAS KEPT IN THE FINAL COORDINATE FILE AND CHEMICAL
*COMPND  11 SHIFT FILE FOR CONSISTENCY. THE ACTUAL SEQUENCE IS STILL: AMRLS(DPP) 
*COMPND  12 FFR(GLU)FILQRKK                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    MODULATOR, QUORUM SENSING, BIOSYNTHETIC PROTEIN                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   08-JAN-20 6V1N    0                                                
# Restraints file 1: CSP1E1ACYCDap6E10_NOE.tbl
assign (resid   2 and name HA  ) (resid   2 and name HB#  )  2.3  0.8  0.8
assign (resid   2 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.4  0.8  0.8
assign (resid   2 and name HB#  ) (resid   3 and name HA  )  2.6  0.9  0.9
assign (resid   2 and name HB#  ) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   2 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   2 and name HA  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HG1 or name HG2  )) (resid   3 and name HN  )  2.5  0.9  1.2
assign (resid   3 and (name HG2 or name HG1  )) (resid   3 and name HN  )  2.5  0.9  1.2
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HA  )  2.3  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HG1 or name HG2  )) (resid   4 and name HA  )  2.3  0.8  0.8
assign (resid   3 and (name HG1 or name HG2  )) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   3 and name HN  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HG1 or name HG2  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   5 and name HN  )  2.4  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and name HZ  )  2.6  0.9  1.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   7 and name HZ  )  2.5  0.9  1.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HA  )  2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HD#  )  2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HE#  )  2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HZ  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HE#  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HZ  )  2.6  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.4  0.8  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HE#  )  2.9  1.0  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HZ  )  2.4  0.8  0.8
assign (resid   4 and (name HD1# or name HD2#  )) (resid  11 and name HD#  )  2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid  11 and name HE#  )  2.6  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid  11 and name HE#  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   5 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HE#  )  2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HZ  )  2.4  0.8  2.1
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HZ  )  2.4  0.8  2.2
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HZ  )  2.4  0.8  2.2
assign (resid   7 and name HD#  ) (resid   7 and name HE#  )  2.5  0.9  0.9
assign (resid   7 and name HD#  ) (resid   7 and name HZ  )  2.3  0.8  1.0
assign (resid   7 and name HE#  ) (resid   7 and name HZ  )  2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   8 and name HA  )  2.7  0.9  0.9
assign (resid   7 and name HA  ) (resid   8 and name HE#  )  2.6  0.9  1.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HA  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HZ  )  3.2  1.1  1.3
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HA  )  2.6  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.6  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  2.7  0.9  1.9
assign (resid   7 and name HD#  ) (resid   8 and name HA  )  2.5  0.9  0.9
assign (resid   7 and name HD#  ) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   7 and name HE#  ) (resid   8 and name HA  )  2.6  0.9  0.9
assign (resid   7 and name HZ  ) (resid   8 and name HA  )  2.5  0.9  2.8
assign (resid   7 and name HZ  ) (resid   8 and name HE#  )  2.5  0.9  2.5
assign (resid   7 and name HA  ) (resid  11 and name HD#  )  2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid  11 and name HE#  )  2.8  1.0  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid  11 and name HD#  )  2.5  0.9  1.6
assign (resid   7 and name HD#  ) (resid  11 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   7 and name HD#  ) (resid  11 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and name HE#  ) (resid  11 and name HA  )  2.5  0.9  1.6
assign (resid   7 and name HE#  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   7 and name HE#  ) (resid  11 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   7 and name HE#  ) (resid  11 and name HE#  )  2.2  0.8  0.8
assign (resid   7 and name HE#  ) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HZ  ) (resid  11 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   7 and name HZ  ) (resid  11 and name HD#  )  2.5  0.9  0.9
assign (resid   7 and name HZ  ) (resid  11 and name HE#  )  2.8  1.0  1.0
assign (resid   7 and name HD#  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   7 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid   7 and name HD#  ) (resid  12 and name HG11  )  2.6  0.9  0.9
assign (resid   7 and name HD#  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   7 and name HE#  ) (resid  12 and name HA  )  2.7  0.9  1.1
assign (resid   7 and name HE#  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   7 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 2.7  0.9  0.9
assign (resid   7 and name HE#  ) (resid  12 and name HG11  )  2.6  0.9  0.9
assign (resid   7 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   7 and name HE#  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HZ  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and name HZ  ) (resid  12 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   7 and name HE#  ) (resid  13 and (name HB2 or name HB1  )) 2.6  0.9  1.9
assign (resid   8 and name HA  ) (resid   8 and name HB#  )  2.3  0.8  0.8
assign (resid   8 and name HA  ) (resid   8 and name HE#  )  2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HZ  )  4.4  1.5  1.5
assign (resid   8 and name HB#  ) (resid   8 and name HE#  )  2.3  0.8  1.2
assign (resid   8 and name HB#  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HB#  ) (resid   8 and name HZ  )  2.8  1.0  1.9
assign (resid   8 and name HE#  ) (resid   8 and name HN  )  2.6  0.9  1.1
assign (resid   8 and name HA  ) (resid   9 and name HA  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HB#  ) (resid   9 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HE#  ) (resid   9 and name HA  )  2.5  0.9  2.1
assign (resid   8 and name HE#  ) (resid   9 and (name HG2 or name HG1  )) 2.5  0.9  1.5
assign (resid   8 and name HE#  ) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.4  0.8  1.3
assign (resid   8 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.6  0.9  1.3
assign (resid   8 and name HA  ) (resid  11 and name HD#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid   8 and name HB#  ) (resid  11 and name HD#  )  2.4  0.8  2.1
assign (resid   8 and name HA  ) (resid  12 and name HB  )  2.5  0.9  1.2
assign (resid   8 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and name HG11  )  2.4  0.8  1.3
assign (resid   8 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and name HA  )  2.7  0.9  1.9
assign (resid   8 and name HE#  ) (resid  12 and name HB  )  2.5  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid   8 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and name HG11  )  2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   8 and name HZ  ) (resid  12 and name HB  )  2.9  1.0  1.2
assign (resid   8 and name HZ  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid   8 and name HZ  ) (resid  12 and (name HG12 or name HG11  )) 2.9  1.0  1.0
assign (resid   8 and name HZ  ) (resid  12 and name HG11  )  2.8  1.0  1.0
assign (resid   8 and name HZ  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.4  0.8  1.1
assign (resid   8 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid  13 and name HN  )  2.6  0.9  1.5
assign (resid   8 and name HE#  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  1.7
assign (resid   8 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   8 and name HZ  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  1.3
assign (resid   9 and name HA  ) (resid   9 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and name HD#  ) (resid   9 and name HE  )  2.5  0.9  0.9
assign (resid   9 and name HE  ) (resid   9 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid   9 and name HE  ) (resid   9 and (name HG2 or name HG1  )) 2.3  0.8  0.8
assign (resid   9 and (name HG1 or name HG2  )) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HG2 or name HG1  )) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.3  0.8  1.3
assign (resid   9 and name HE  ) (resid  10 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid   9 and name HN  ) (resid  10 and (name HB1 or name HB2  )) 2.4  0.8  1.0
assign (resid   9 and name HA  ) (resid  11 and name HD#  )  2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HB  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  1.9
assign (resid   9 and name HA  ) (resid  12 and name HG11  )  2.6  0.9  2.5
assign (resid   9 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HN  )  2.6  0.9  1.1
assign (resid   9 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid   9 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HE  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   9 and name HE  ) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HG2 or name HG1  )) 2.3  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HG1 or name HG2  )) (resid  10 and name HN  )  2.4  0.8  1.1
assign (resid  10 and (name HG2 or name HG1  )) (resid  10 and name HN  )  2.4  0.8  1.1
assign (resid  10 and name HA  ) (resid  11 and name HA  )  2.6  0.9  1.5
assign (resid  10 and name HA  ) (resid  11 and name HD#  )  2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and (name HB1 or name HB2  )) 2.4  0.8  1.6
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HD#  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HA  )  2.7  0.9  1.8
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HG1 or name HG2  )) (resid  11 and name HD#  )  2.6  0.9  0.9
assign (resid  10 and (name HG1 or name HG2  )) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  10 and (name HG2 or name HG1  )) (resid  11 and name HD#  )  2.5  0.9  0.9
assign (resid  10 and (name HG2 or name HG1  )) (resid  11 and name HN  )  2.4  0.8  1.0
assign (resid  10 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  1.3
assign (resid  10 and name HA  ) (resid  12 and name HN  )  2.7  0.9  1.6
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  10 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  1.9
assign (resid  10 and name HA  ) (resid  13 and name HN  )  2.5  0.9  1.3
assign (resid  10 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  1.5
assign (resid  10 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  2.2  0.8  2.2
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.6  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  2.9  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  11 and name HD#  ) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  12 and name HA  )  2.6  0.9  1.8
assign (resid  11 and name HA  ) (resid  12 and name HB  )  2.5  0.9  2.9
assign (resid  11 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HA  )  2.7  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HD#  ) (resid  12 and name HA  )  2.5  0.9  2.2
assign (resid  11 and name HD#  ) (resid  12 and name HB  )  2.5  0.9  1.5
assign (resid  11 and name HD#  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  11 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid  11 and name HD#  ) (resid  12 and name HG11  )  2.5  0.9  0.9
assign (resid  11 and name HD#  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  11 and name HD#  ) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  11 and name HE#  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and name HA  )  2.6  0.9  1.1
assign (resid  11 and name HN  ) (resid  12 and name HB  )  2.4  0.8  0.8
assign (resid  11 and name HN  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and name HN  ) (resid  12 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and (name HB1 or name HB2  )) 2.4  0.8  1.4
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and (name HB2 or name HB1  )) 2.3  0.8  1.4
assign (resid  11 and name HD#  ) (resid  13 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  11 and name HD#  ) (resid  13 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  11 and name HD#  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  1.5
assign (resid  11 and name HE#  ) (resid  13 and (name HB2 or name HB1  )) 2.7  0.9  2.1
assign (resid  11 and name HN  ) (resid  13 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 4.4  1.5  1.5
assign (resid  11 and name HD#  ) (resid  14 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  11 and name HD#  ) (resid  14 and (name HG1 or name HG2  )) 2.7  0.9  1.5
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HG11  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and (name HG12 or name HG11  )) 2.3  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HG11  )  2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 2.3  0.8  0.8
assign (resid  12 and name HD#  ) (resid  12 and name HG11  )  2.3  0.8  0.8
assign (resid  12 and name HD#  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HG11  ) (resid  12 and (name HG12 or name HG11  )) 2.3  0.8  0.8
assign (resid  12 and name HG11  ) (resid  12 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  12 and name HG11  ) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  13 and name HA  )  2.5  0.9  1.7
assign (resid  12 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.4  0.8  1.6
assign (resid  12 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  1.5
assign (resid  12 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  13 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HD#  ) (resid  13 and name HA  )  2.6  0.9  1.1
assign (resid  12 and name HD#  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HG11  ) (resid  13 and name HA  )  2.5  0.9  3.0
assign (resid  12 and name HG11  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HA  )  2.7  0.9  1.3
assign (resid  12 and name HN  ) (resid  13 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  14 and name HN  )  2.6  0.9  1.2
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and (name HG1 or name HG2  )) 2.8  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and (name HG1 or name HG2  )) 2.6  0.9  1.1
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and (name HG1 or name HG2  )) 3.8  1.3  1.3
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HN  ) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.3  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HG2 or name HG1  )) 2.3  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and (name HG1 or name HG2  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HG2 or name HG1  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  2.4
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HA  )  2.5  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HG1 or name HG2  )) (resid  15 and name HA  )  2.5  0.9  0.9
assign (resid  14 and (name HG1 or name HG2  )) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid  14 and (name HG2 or name HG1  )) (resid  15 and name HG#  )  2.4  0.8  0.8
assign (resid  14 and (name HG2 or name HG1  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  14 and name HN  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and name HG#  )  2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and name HG#  ) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.3  0.8  0.8
assign (resid  15 and name HG#  ) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  15 and name HN  ) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  15 and name HG#  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.3  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HG#  )  2.3  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.3  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.3  0.8  0.8
assign (resid  16 and name HG#  ) (resid  17 and name HN  )  2.3  0.8  0.8
assign (resid  16 and name HN  ) (resid  17 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HG#  )  2.4  0.8  0.8
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.3  0.8  0.8
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HG#  )  2.4  0.8  0.8
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.4  0.8  0.8
# Restraints file 2: CSP1E1ACYCDap6E10_chi1.tbl

assign (resid   4 and name N    ) (resid   4 and name CA   )
       (resid   4 and name CB   ) (resid   4 and name CG   )    1.0  -60.0   30.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name CG   )    1.0  -60.0   30.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  -60.0   30.0 2



# Restraints file 3: CSP1E1ACYCDap6E10_phi_psi_dih.tbl
! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -68.9   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -35.8   20.0 2

! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1  28.031   0.091  37.070
    2    H2   ALA   1           HT2      ALA   1  27.758   1.281  38.251
    3    H3   ALA   1           HT3      ALA   1  28.769   1.616  36.928
    4    HA   ALA   1           HA       ALA   1  26.283   0.761  35.980
    5    HB1  ALA   1           HB1      ALA   1  26.214   3.127  37.955
    6    HB2  ALA   1           HB2      ALA   1  25.372   1.547  38.177
    7    HB3  ALA   1           HB3      ALA   1  24.859   2.665  36.856
    8    H    MET   2           HN       MET   2  28.588   1.336  34.649
    9    HA   MET   2           HA       MET   2  28.138   4.088  33.657
   10    HB2  MET   2           HB2      MET   2  30.639   2.319  33.724
   11    HB3  MET   2           HB1      MET   2  30.462   3.673  32.555
   12    HG2  MET   2           HG2      MET   2  30.286   3.958  35.618
   13    HG3  MET   2           HG1      MET   2  31.765   4.252  34.652
   14    HE1  MET   2           HE1      MET   2  30.623   6.172  36.703
   15    HE2  MET   2           HE2      MET   2  30.703   7.776  35.894
   16    HE3  MET   2           HE3      MET   2  32.049   6.600  35.693
   17    H    ARG   3           HN       ARG   3  27.127   4.183  31.907
   18    HA   ARG   3           HA       ARG   3  27.303   1.971  30.056
   19    HB2  ARG   3           HB2      ARG   3  24.991   2.768  30.462
   20    HB3  ARG   3           HB1      ARG   3  25.576   4.473  30.325
   21    HG2  ARG   3           HG2      ARG   3  26.001   4.265  27.966
   22    HG3  ARG   3           HG1      ARG   3  25.746   2.485  27.990
   23    HD2  ARG   3           HD2      ARG   3  23.515   4.528  28.662
   24    HD3  ARG   3           HD1      ARG   3  23.779   3.813  27.009
   25    HE   ARG   3           HE       ARG   3  23.649   1.677  28.939
   26   HH11  ARG   3          HH11      ARG   3  21.672   4.189  27.373
   27   HH12  ARG   3          HH12      ARG   3  20.180   3.323  27.510
   28   HH21  ARG   3          HH21      ARG   3  21.619   0.491  29.132
   29   HH22  ARG   3          HH22      ARG   3  20.148   1.180  28.531
   30    H    LEU   4           HN       LEU   4  27.790   5.266  30.777
   31    HA   LEU   4           HA       LEU   4  28.265   6.458  28.528
   32    HB2  LEU   4           HB2      LEU   4  29.836   6.825  31.148
   33    HB3  LEU   4           HB1      LEU   4  29.827   8.032  29.810
   34    HG   LEU   4           HG       LEU   4  27.936   7.629  32.012
   35   HD11  LEU   4          HD11      LEU   4  27.379   9.934  30.244
   36   HD12  LEU   4          HD12      LEU   4  29.144   9.766  30.557
   37   HD13  LEU   4          HD13      LEU   4  27.991   9.899  31.939
   38   HD21  LEU   4          HD21      LEU   4  26.243   6.600  30.789
   39   HD22  LEU   4          HD22      LEU   4  26.782   7.278  29.204
   40   HD23  LEU   4          HD23      LEU   4  25.892   8.317  30.374
   41    H    SER   5           HN       SER   5  29.259   5.513  26.890
   42    HA   SER   5           HA       SER   5  31.869   4.268  27.317
   43    HB2  SER   5           HB2      SER   5  31.517   3.568  24.795
   44    HB3  SER   5           HB1      SER   5  30.512   2.755  26.059
   45    HG   SER   5           HG       SER   5  28.839   3.603  25.209
   46    H    DPP   6           HN       DPP   6  30.637   5.964  24.307
   47    HA   DPP   6           HA       DPP   6  33.235   7.133  23.946
   48    HB2  DPP   6           HB2      DPP   6  31.312   6.569  22.057
   49    HB3  DPP   6           HB3      DPP   6  32.451   7.940  21.813
   50    H    PHE   7           HN       PHE   7  32.003   7.774  26.565
   51    HA   PHE   7           HA       PHE   7  30.490   9.990  26.194
   52    HB2  PHE   7           HB2      PHE   7  31.190   8.740  28.611
   53    HB3  PHE   7           HB1      PHE   7  31.375  10.558  28.714
   54    HD1  PHE   7           HD1      PHE   7  29.132   7.873  27.819
   55    HD2  PHE   7           HD2      PHE   7  29.649  11.993  28.265
   56    HE1  PHE   7           HE1      PHE   7  26.748   8.216  27.598
   57    HE2  PHE   7           HE2      PHE   7  27.309  12.343  28.014
   58    HZ   PHE   7           HZ       PHE   7  25.926  10.446  27.747
   59    H    PHE   8           HN       PHE   8  30.337  11.688  26.540
   60    HA   PHE   8           HA       PHE   8  30.513  13.636  26.605
   61    HB2  PHE   8           HB2      PHE   8  33.325  13.100  27.634
   62    HB3  PHE   8           HB1      PHE   8  32.944  14.796  27.048
   63    HD1  PHE   8           HD1      PHE   8  32.067  12.163  29.390
   64    HD2  PHE   8           HD2      PHE   8  31.132  15.898  27.701
   65    HE1  PHE   8           HE1      PHE   8  30.076  12.245  30.755
   66    HE2  PHE   8           HE2      PHE   8  29.192  16.078  29.043
   67    HZ   PHE   8           HZ       PHE   8  28.634  14.250  30.622
   68    H    ARG   9           HN       ARG   9  30.505  15.117  25.688
   69    HA   ARG   9           HA       ARG   9  30.135  16.233  24.092
   70    HB2  ARG   9           HB2      ARG   9  32.823  15.652  22.814
   71    HB3  ARG   9           HB1      ARG   9  31.833  17.138  22.601
   72    HG2  ARG   9           HG2      ARG   9  32.865  18.123  24.361
   73    HG3  ARG   9           HG1      ARG   9  32.300  16.803  25.457
   74    HD2  ARG   9           HD2      ARG   9  34.914  16.851  23.793
   75    HD3  ARG   9           HD1      ARG   9  34.736  16.842  25.609
   76    HE   ARG   9           HE       ARG   9  33.287  14.590  24.544
   77   HH11  ARG   9          HH11      ARG   9  36.623  15.872  24.876
   78   HH12  ARG   9          HH12      ARG   9  37.382  14.317  24.955
   79   HH21  ARG   9          HH21      ARG   9  34.341  12.479  24.654
   80   HH22  ARG   9          HH22      ARG   9  36.062  12.354  24.827
   81    H    GLN  10           HN       GLN  10  28.801  14.114  23.965
   82    HA   GLN  10           HA       GLN  10  28.551  13.692  21.257
   83    HB2  GLN  10           HB2      GLN  10  30.536  12.415  21.384
   84    HB3  GLN  10           HB1      GLN  10  30.216  12.095  23.127
   85    HG2  GLN  10           HG2      GLN  10  28.540  10.366  22.519
   86    HG3  GLN  10           HG1      GLN  10  28.767  10.692  20.764
   87   HE21  GLN  10          HE21      GLN  10  29.601   8.282  22.891
   88    H    PHE  11           HN       PHE  11  27.403  13.844  24.322
   89    HA   PHE  11           HA       PHE  11  25.093  12.204  23.664
   90    HB2  PHE  11           HB2      PHE  11  26.573  12.528  26.238
   91    HB3  PHE  11           HB1      PHE  11  25.118  11.454  25.997
   92    HD1  PHE  11           HD1      PHE  11  28.491  12.296  24.974
   93    HD2  PHE  11           HD2      PHE  11  25.471   9.333  25.342
   94    HE1  PHE  11           HE1      PHE  11  30.085  10.564  24.489
   95    HE2  PHE  11           HE2      PHE  11  27.081   7.570  24.895
   96    HZ   PHE  11           HZ       PHE  11  29.422   8.161  24.449
   97    H    ILE  12           HN       ILE  12  26.802  14.422  25.467
   98    HA   ILE  12           HA       ILE  12  24.641  15.540  26.796
   99    HB   ILE  12           HB       ILE  12  27.459  16.467  26.697
  100   HG12  ILE  12          HG12      ILE  12  27.658  14.649  28.618
  101   HG13  ILE  12          HG11      ILE  12  26.521  13.853  27.529
  102   HG21  ILE  12          HG21      ILE  12  27.075  17.015  29.093
  103   HG22  ILE  12          HG22      ILE  12  25.487  16.159  29.074
  104   HG23  ILE  12          HG23      ILE  12  25.701  17.684  28.135
  105   HD11  ILE  12          HD11      ILE  12  29.295  14.765  26.925
  106   HD12  ILE  12          HD12      ILE  12  28.143  14.630  25.587
  107   HD13  ILE  12          HD13      ILE  12  28.545  13.175  26.586
  108    H    LEU  13           HN       LEU  13  26.828  15.628  24.469
  109    HA   LEU  13           HA       LEU  13  26.581  18.392  23.848
  110    HB2  LEU  13           HB2      LEU  13  28.334  16.084  24.335
  111    HB3  LEU  13           HB1      LEU  13  28.870  17.182  22.935
  112    HG   LEU  13           HG       LEU  13  29.672  18.780  24.385
  113   HD11  LEU  13          HD11      LEU  13  27.507  19.814  24.769
  114   HD12  LEU  13          HD12      LEU  13  28.285  19.633  26.387
  115   HD13  LEU  13          HD13      LEU  13  26.991  18.484  25.870
  116   HD21  LEU  13          HD21      LEU  13  29.446  16.272  25.848
  117   HD22  LEU  13          HD22      LEU  13  29.258  17.637  27.008
  118   HD23  LEU  13          HD23      LEU  13  30.727  17.528  25.961
  119    H    GLN  14           HN       GLN  14  25.763  15.354  22.922
  120    HA   GLN  14           HA       GLN  14  26.377  15.025  20.309
  121    HB2  GLN  14           HB2      GLN  14  23.967  13.999  20.228
  122    HB3  GLN  14           HB1      GLN  14  25.163  13.292  21.408
  123    HG2  GLN  14           HG2      GLN  14  24.330  14.847  23.196
  124    HG3  GLN  14           HG1      GLN  14  23.100  15.501  22.043
  125   HE21  GLN  14          HE21      GLN  14  21.311  14.723  23.331
  126   HE22  GLN  14          HE22      GLN  14  20.877  13.048  23.366
  127    H    ARG  15           HN       ARG  15  24.023  17.215  21.725
  128    HA   ARG  15           HA       ARG  15  22.764  17.637  19.214
  129    HB2  ARG  15           HB2      ARG  15  21.240  19.087  20.430
  130    HB3  ARG  15           HB1      ARG  15  21.539  17.605  21.413
  131    HG2  ARG  15           HG2      ARG  15  23.373  18.865  22.646
  132    HG3  ARG  15           HG1      ARG  15  22.875  20.350  21.771
  133    HD2  ARG  15           HD2      ARG  15  20.556  20.174  22.763
  134    HD3  ARG  15           HD1      ARG  15  21.082  18.692  23.681
  135    HE   ARG  15           HE       ARG  15  22.936  20.838  24.214
  136   HH11  ARG  15          HH11      ARG  15  19.567  19.823  24.765
  137   HH12  ARG  15          HH12      ARG  15  19.405  20.639  26.284
  138   HH21  ARG  15          HH21      ARG  15  22.717  21.949  26.283
  139   HH22  ARG  15          HH22      ARG  15  21.227  21.868  27.161
  140    H    LYS  16           HN       LYS  16  25.449  18.969  20.941
  141    HA   LYS  16           HA       LYS  16  25.129  21.543  19.568
  142    HB2  LYS  16           HB2      LYS  16  27.346  20.755  21.534
  143    HB3  LYS  16           HB1      LYS  16  26.862  22.420  21.039
  144    HG2  LYS  16           HG2      LYS  16  24.609  22.012  22.156
  145    HG3  LYS  16           HG1      LYS  16  25.256  20.442  22.748
  146    HD2  LYS  16           HD2      LYS  16  25.561  21.947  24.575
  147    HD3  LYS  16           HD1      LYS  16  27.187  21.811  23.822
  148    HE2  LYS  16           HE2      LYS  16  26.872  23.989  22.654
  149    HE3  LYS  16           HE1      LYS  16  25.184  24.113  23.304
  150    HZ1  LYS  16           HZ1      LYS  16  27.048  23.621  25.387
  151    HZ2  LYS  16           HZ2      LYS  16  25.972  24.916  25.167
  152    HZ3  LYS  16           HZ3      LYS  16  27.520  24.974  24.476
  153    H    LYS  17           HN       LYS  17  26.867  18.637  20.031
  154    HA   LYS  17           HA       LYS  17  28.876  19.362  18.033
  155    HB2  LYS  17           HB2      LYS  17  28.383  16.867  19.740
  156    HB3  LYS  17           HB1      LYS  17  29.670  16.934  18.479
  157    HG2  LYS  17           HG2      LYS  17  29.459  18.866  20.869
  158    HG3  LYS  17           HG1      LYS  17  30.476  17.386  20.844
  159    HD2  LYS  17           HD2      LYS  17  31.713  18.307  18.842
  160    HD3  LYS  17           HD1      LYS  17  30.729  19.808  18.952
  161    HE2  LYS  17           HE2      LYS  17  31.643  20.247  21.252
  162    HE3  LYS  17           HE1      LYS  17  32.633  18.732  21.142
  163    HZ1  LYS  17           HZ1      LYS  17  34.146  20.056  20.283
  164    HZ2  LYS  17           HZ2      LYS  17  33.057  21.321  19.973
  165    HZ3  LYS  17           HZ3      LYS  17  33.226  20.052  18.856
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  28.580  -0.185  36.403
    2    H2   ALA   1           HT2      ALA   1  27.676   0.117  34.997
    3    H3   ALA   1           HT3      ALA   1  26.926  -0.566  36.360
    4    HA   ALA   1           HA       ALA   1  26.302   1.454  36.884
    5    HB1  ALA   1           HB1      ALA   1  29.326   1.831  37.352
    6    HB2  ALA   1           HB2      ALA   1  28.166   1.109  38.529
    7    HB3  ALA   1           HB3      ALA   1  28.029   2.853  38.085
    8    H    MET   2           HN       MET   2  29.285   1.716  34.834
    9    HA   MET   2           HA       MET   2  28.125   4.191  33.718
   10    HB2  MET   2           HB2      MET   2  30.928   3.007  33.340
   11    HB3  MET   2           HB1      MET   2  30.331   4.569  32.684
   12    HG2  MET   2           HG2      MET   2  30.654   3.873  35.670
   13    HG3  MET   2           HG1      MET   2  31.788   4.867  34.699
   14    HE1  MET   2           HE1      MET   2  30.477   5.569  37.464
   15    HE2  MET   2           HE2      MET   2  30.126   7.319  37.255
   16    HE3  MET   2           HE3      MET   2  31.651   6.625  36.605
   17    H    ARG   3           HN       ARG   3  27.079   4.039  31.990
   18    HA   ARG   3           HA       ARG   3  27.524   1.797  30.255
   19    HB2  ARG   3           HB2      ARG   3  25.160   2.433  30.664
   20    HB3  ARG   3           HB1      ARG   3  25.596   4.159  30.361
   21    HG2  ARG   3           HG2      ARG   3  25.981   3.778  28.022
   22    HG3  ARG   3           HG1      ARG   3  25.872   1.990  28.209
   23    HD2  ARG   3           HD2      ARG   3  23.504   3.899  28.801
   24    HD3  ARG   3           HD1      ARG   3  23.766   3.066  27.204
   25    HE   ARG   3           HE       ARG   3  23.896   1.072  29.250
   26   HH11  ARG   3          HH11      ARG   3  21.614   3.407  27.827
   27   HH12  ARG   3          HH12      ARG   3  20.203   2.451  28.132
   28   HH21  ARG   3          HH21      ARG   3  21.978  -0.232  29.665
   29   HH22  ARG   3          HH22      ARG   3  20.414   0.345  29.194
   30    H    LEU   4           HN       LEU   4  27.632   5.174  30.696
   31    HA   LEU   4           HA       LEU   4  28.039   6.311  28.443
   32    HB2  LEU   4           HB2      LEU   4  29.640   6.818  31.022
   33    HB3  LEU   4           HB1      LEU   4  29.548   7.991  29.664
   34    HG   LEU   4           HG       LEU   4  27.668   7.467  31.872
   35   HD11  LEU   4          HD11      LEU   4  27.747   9.732  31.901
   36   HD12  LEU   4          HD12      LEU   4  27.021   9.824  30.253
   37   HD13  LEU   4          HD13      LEU   4  28.808   9.695  30.442
   38   HD21  LEU   4          HD21      LEU   4  26.581   7.186  29.033
   39   HD22  LEU   4          HD22      LEU   4  25.641   8.163  30.216
   40   HD23  LEU   4          HD23      LEU   4  26.028   6.440  30.583
   41    H    SER   5           HN       SER   5  29.052   5.350  26.798
   42    HA   SER   5           HA       SER   5  31.714   4.237  27.192
   43    HB2  SER   5           HB2      SER   5  29.987   2.904  25.893
   44    HB3  SER   5           HB1      SER   5  29.996   4.204  24.639
   45    HG   SER   5           HG       SER   5  32.038   2.415  25.413
   46    H    DPP   6           HN       DPP   6  30.499   5.991  24.189
   47    HA   DPP   6           HA       DPP   6  33.086   7.198  23.918
   48    HB2  DPP   6           HB2      DPP   6  31.206   6.666  21.971
   49    HB3  DPP   6           HB3      DPP   6  32.351   8.042  21.785
   50    H    PHE   7           HN       PHE   7  31.758   7.753  26.516
   51    HA   PHE   7           HA       PHE   7  30.251   9.977  26.162
   52    HB2  PHE   7           HB2      PHE   7  30.892   8.656  28.555
   53    HB3  PHE   7           HB1      PHE   7  31.061  10.470  28.720
   54    HD1  PHE   7           HD1      PHE   7  28.837   7.795  27.702
   55    HD2  PHE   7           HD2      PHE   7  29.350  11.912  28.253
   56    HE1  PHE   7           HE1      PHE   7  26.460   8.152  27.433
   57    HE2  PHE   7           HE2      PHE   7  27.015  12.267  27.951
   58    HZ   PHE   7           HZ       PHE   7  25.641  10.377  27.611
   59    H    PHE   8           HN       PHE   8  30.083  11.662  26.549
   60    HA   PHE   8           HA       PHE   8  30.252  13.607  26.679
   61    HB2  PHE   8           HB2      PHE   8  33.029  13.046  27.783
   62    HB3  PHE   8           HB1      PHE   8  32.668  14.757  27.231
   63    HD1  PHE   8           HD1      PHE   8  31.723  12.065  29.472
   64    HD2  PHE   8           HD2      PHE   8  30.829  15.839  27.850
   65    HE1  PHE   8           HE1      PHE   8  29.696  12.111  30.780
   66    HE2  PHE   8           HE2      PHE   8  28.848  15.981  29.139
   67    HZ   PHE   8           HZ       PHE   8  28.251  14.113  30.655
   68    H    ARG   9           HN       ARG   9  30.268  15.114  25.807
   69    HA   ARG   9           HA       ARG   9  29.947  16.277  24.234
   70    HB2  ARG   9           HB2      ARG   9  32.682  15.741  23.039
   71    HB3  ARG   9           HB1      ARG   9  31.697  17.228  22.829
   72    HG2  ARG   9           HG2      ARG   9  32.658  18.166  24.654
   73    HG3  ARG   9           HG1      ARG   9  32.053  16.817  25.689
   74    HD2  ARG   9           HD2      ARG   9  34.733  16.913  24.135
   75    HD3  ARG   9           HD1      ARG   9  34.480  16.854  25.943
   76    HE   ARG   9           HE       ARG   9  33.085  14.629  24.742
   77   HH11  ARG   9          HH11      ARG   9  36.389  15.907  25.323
   78   HH12  ARG   9          HH12      ARG   9  37.148  14.353  25.393
   79   HH21  ARG   9          HH21      ARG   9  34.141  12.519  24.840
   80   HH22  ARG   9          HH22      ARG   9  35.847  12.391  25.114
   81    H    GLN  10           HN       GLN  10  28.623  14.160  24.000
   82    HA   GLN  10           HA       GLN  10  28.466  13.814  21.274
   83    HB2  GLN  10           HB2      GLN  10  30.451  12.538  21.429
   84    HB3  GLN  10           HB1      GLN  10  30.075  12.167  23.152
   85    HG2  GLN  10           HG2      GLN  10  28.424  10.455  22.439
   86    HG3  GLN  10           HG1      GLN  10  28.710  10.831  20.702
   87   HE21  GLN  10          HE21      GLN  10  29.473   8.362  22.790
   88    H    PHE  11           HN       PHE  11  27.219  13.868  24.306
   89    HA   PHE  11           HA       PHE  11  24.941  12.235  23.524
   90    HB2  PHE  11           HB2      PHE  11  26.331  12.501  26.157
   91    HB3  PHE  11           HB1      PHE  11  24.891  11.426  25.841
   92    HD1  PHE  11           HD1      PHE  11  28.290  12.310  24.936
   93    HD2  PHE  11           HD2      PHE  11  25.282   9.320  25.171
   94    HE1  PHE  11           HE1      PHE  11  29.906  10.599  24.454
   95    HE2  PHE  11           HE2      PHE  11  26.915   7.578  24.730
   96    HZ   PHE  11           HZ       PHE  11  29.260   8.192  24.349
   97    H    ILE  12           HN       ILE  12  26.575  14.407  25.448
   98    HA   ILE  12           HA       ILE  12  24.366  15.481  26.731
   99    HB   ILE  12           HB       ILE  12  27.181  16.425  26.752
  100   HG12  ILE  12          HG12      ILE  12  27.332  14.553  28.623
  101   HG13  ILE  12          HG11      ILE  12  26.232  13.782  27.478
  102   HG21  ILE  12          HG21      ILE  12  25.167  16.015  29.077
  103   HG22  ILE  12          HG22      ILE  12  25.325  17.564  28.164
  104   HG23  ILE  12          HG23      ILE  12  26.716  16.938  29.128
  105   HD11  ILE  12          HD11      ILE  12  29.019  14.722  26.988
  106   HD12  ILE  12          HD12      ILE  12  27.909  14.626  25.611
  107   HD13  ILE  12          HD13      ILE  12  28.286  13.142  26.577
  108    H    LEU  13           HN       LEU  13  26.634  15.649  24.484
  109    HA   LEU  13           HA       LEU  13  26.391  18.431  23.942
  110    HB2  LEU  13           HB2      LEU  13  28.143  16.120  24.421
  111    HB3  LEU  13           HB1      LEU  13  28.720  17.262  23.076
  112    HG   LEU  13           HG       LEU  13  29.459  18.821  24.599
  113   HD11  LEU  13          HD11      LEU  13  27.275  19.829  24.944
  114   HD12  LEU  13          HD12      LEU  13  27.999  19.597  26.581
  115   HD13  LEU  13          HD13      LEU  13  26.731  18.460  25.982
  116   HD21  LEU  13          HD21      LEU  13  29.210  16.264  25.965
  117   HD22  LEU  13          HD22      LEU  13  28.962  17.585  27.166
  118   HD23  LEU  13          HD23      LEU  13  30.469  17.530  26.170
  119    H    GLN  14           HN       GLN  14  25.680  15.393  22.887
  120    HA   GLN  14           HA       GLN  14  26.386  15.092  20.315
  121    HB2  GLN  14           HB2      GLN  14  23.943  14.137  20.102
  122    HB3  GLN  14           HB1      GLN  14  25.075  13.381  21.312
  123    HG2  GLN  14           HG2      GLN  14  24.210  14.911  23.099
  124    HG3  GLN  14           HG1      GLN  14  23.055  15.638  21.917
  125   HE21  GLN  14          HE21      GLN  14  21.167  14.892  23.050
  126   HE22  GLN  14          HE22      GLN  14  20.686  13.230  23.043
  127    H    ARG  15           HN       ARG  15  23.987  17.308  21.585
  128    HA   ARG  15           HA       ARG  15  22.746  17.727  19.108
  129    HB2  ARG  15           HB2      ARG  15  21.460  19.444  20.278
  130    HB3  ARG  15           HB1      ARG  15  21.632  17.988  21.328
  131    HG2  ARG  15           HG2      ARG  15  23.612  19.067  22.461
  132    HG3  ARG  15           HG1      ARG  15  23.338  20.547  21.480
  133    HD2  ARG  15           HD2      ARG  15  21.032  20.799  22.492
  134    HD3  ARG  15           HD1      ARG  15  21.344  19.328  23.517
  135    HE   ARG  15           HE       ARG  15  23.515  21.180  23.885
  136   HH11  ARG  15          HH11      ARG  15  20.027  20.800  24.492
  137   HH12  ARG  15          HH12      ARG  15  20.013  21.767  25.927
  138   HH21  ARG  15          HH21      ARG  15  23.498  22.498  25.840
  139   HH22  ARG  15          HH22      ARG  15  22.019  22.750  26.706
  140    H    LYS  16           HN       LYS  16  25.599  19.042  20.632
  141    HA   LYS  16           HA       LYS  16  25.468  21.323  18.808
  142    HB2  LYS  16           HB2      LYS  16  25.606  22.186  21.066
  143    HB3  LYS  16           HB1      LYS  16  26.779  20.904  21.538
  144    HG2  LYS  16           HG2      LYS  16  28.502  21.893  20.100
  145    HG3  LYS  16           HG1      LYS  16  27.347  23.127  19.491
  146    HD2  LYS  16           HD2      LYS  16  27.187  24.172  21.694
  147    HD3  LYS  16           HD1      LYS  16  28.092  22.824  22.463
  148    HE2  LYS  16           HE2      LYS  16  29.570  24.809  22.178
  149    HE3  LYS  16           HE1      LYS  16  30.142  23.463  21.106
  150    HZ1  LYS  16           HZ1      LYS  16  28.197  25.304  19.964
  151    HZ2  LYS  16           HZ2      LYS  16  29.578  24.587  19.285
  152    HZ3  LYS  16           HZ3      LYS  16  29.734  25.944  20.295
  153    H    LYS  17           HN       LYS  17  27.356  18.816  20.345
  154    HA   LYS  17           HA       LYS  17  29.473  19.179  18.356
  155    HB2  LYS  17           HB2      LYS  17  29.173  17.652  20.974
  156    HB3  LYS  17           HB1      LYS  17  30.477  17.193  19.818
  157    HG2  LYS  17           HG2      LYS  17  30.083  20.040  20.931
  158    HG3  LYS  17           HG1      LYS  17  31.172  18.818  21.669
  159    HD2  LYS  17           HD2      LYS  17  32.439  18.671  19.489
  160    HD3  LYS  17           HD1      LYS  17  31.375  19.952  18.809
  161    HE2  LYS  17           HE2      LYS  17  32.172  21.557  20.574
  162    HE3  LYS  17           HE1      LYS  17  33.244  20.264  21.256
  163    HZ1  LYS  17           HZ1      LYS  17  33.798  20.324  18.576
  164    HZ2  LYS  17           HZ2      LYS  17  34.730  20.982  19.834
  165    HZ3  LYS  17           HZ3      LYS  17  33.621  21.959  18.998
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  27.510   1.801  38.536
    2    H2   ALA   1           HT2      ALA   1  28.457   1.654  37.134
    3    H3   ALA   1           HT3      ALA   1  26.914   0.945  37.196
    4    HA   ALA   1           HA       ALA   1  25.868   2.801  36.696
    5    HB1  ALA   1           HB1      ALA   1  26.423   3.777  38.962
    6    HB2  ALA   1           HB2      ALA   1  26.449   5.038  37.672
    7    HB3  ALA   1           HB3      ALA   1  27.998   4.354  38.296
    8    H    MET   2           HN       MET   2  27.811   1.574  34.989
    9    HA   MET   2           HA       MET   2  28.675   3.976  33.532
   10    HB2  MET   2           HB2      MET   2  30.238   1.330  33.733
   11    HB3  MET   2           HB1      MET   2  30.645   2.711  32.653
   12    HG2  MET   2           HG2      MET   2  30.629   2.758  35.734
   13    HG3  MET   2           HG1      MET   2  32.082   2.641  34.692
   14    HE1  MET   2           HE1      MET   2  32.844   4.053  33.115
   15    HE2  MET   2           HE2      MET   2  32.769   5.849  33.121
   16    HE3  MET   2           HE3      MET   2  31.518   4.902  32.245
   17    H    ARG   3           HN       ARG   3  29.057   3.519  31.263
   18    HA   ARG   3           HA       ARG   3  28.119   1.376  29.898
   19    HB2  ARG   3           HB2      ARG   3  25.813   1.763  30.717
   20    HB3  ARG   3           HB1      ARG   3  26.069   3.548  30.567
   21    HG2  ARG   3           HG2      ARG   3  26.088   3.464  28.179
   22    HG3  ARG   3           HG1      ARG   3  26.148   1.668  28.154
   23    HD2  ARG   3           HD2      ARG   3  23.770   3.268  29.333
   24    HD3  ARG   3           HD1      ARG   3  23.828   2.643  27.624
   25    HE   ARG   3           HE       ARG   3  24.441   0.460  29.371
   26   HH11  ARG   3          HH11      ARG   3  21.790   2.706  28.596
   27   HH12  ARG   3          HH12      ARG   3  20.523   1.596  28.997
   28   HH21  ARG   3          HH21      ARG   3  22.721  -1.052  29.918
   29   HH22  ARG   3          HH22      ARG   3  21.062  -0.579  29.763
   30    H    LEU   4           HN       LEU   4  28.149   4.703  30.615
   31    HA   LEU   4           HA       LEU   4  28.019   5.981  28.325
   32    HB2  LEU   4           HB2      LEU   4  29.728   6.567  30.807
   33    HB3  LEU   4           HB1      LEU   4  29.565   7.743  29.462
   34    HG   LEU   4           HG       LEU   4  27.753   7.157  31.697
   35   HD11  LEU   4          HD11      LEU   4  26.944   9.442  30.048
   36   HD12  LEU   4          HD12      LEU   4  28.737   9.418  30.207
   37   HD13  LEU   4          HD13      LEU   4  27.702   9.423  31.683
   38   HD21  LEU   4          HD21      LEU   4  26.260   5.925  30.326
   39   HD22  LEU   4          HD22      LEU   4  26.573   6.938  28.863
   40   HD23  LEU   4          HD23      LEU   4  25.613   7.605  30.234
   41    H    SER   5           HN       SER   5  28.958   5.011  26.588
   42    HA   SER   5           HA       SER   5  31.906   4.897  26.556
   43    HB2  SER   5           HB2      SER   5  31.713   3.306  24.625
   44    HB3  SER   5           HB1      SER   5  30.819   2.658  26.055
   45    HG   SER   5           HG       SER   5  29.474   4.322  24.241
   46    H    DPP   6           HN       DPP   6  33.025   6.052  24.889
   47    HA   DPP   6           HA       DPP   6  33.340   7.654  23.379
   48    HB2  DPP   6           HB2      DPP   6  30.955   6.514  22.163
   49    HB3  DPP   6           HB3      DPP   6  32.061   7.714  21.402
   50    H    PHE   7           HN       PHE   7  31.888   7.704  26.227
   51    HA   PHE   7           HA       PHE   7  30.259   9.857  25.990
   52    HB2  PHE   7           HB2      PHE   7  30.898   8.420  28.307
   53    HB3  PHE   7           HB1      PHE   7  31.034  10.224  28.593
   54    HD1  PHE   7           HD1      PHE   7  28.834   7.558  27.503
   55    HD2  PHE   7           HD2      PHE   7  29.308  11.682  28.114
   56    HE1  PHE   7           HE1      PHE   7  26.455   7.896  27.268
   57    HE2  PHE   7           HE2      PHE   7  26.967  12.015  27.840
   58    HZ   PHE   7           HZ       PHE   7  25.614  10.110  27.489
   59    H    PHE   8           HN       PHE   8  30.027  11.536  26.429
   60    HA   PHE   8           HA       PHE   8  30.153  13.476  26.684
   61    HB2  PHE   8           HB2      PHE   8  32.938  12.920  27.775
   62    HB3  PHE   8           HB1      PHE   8  32.545  14.648  27.301
   63    HD1  PHE   8           HD1      PHE   8  31.636  11.830  29.399
   64    HD2  PHE   8           HD2      PHE   8  30.697  15.669  27.966
   65    HE1  PHE   8           HE1      PHE   8  29.600  11.781  30.691
   66    HE2  PHE   8           HE2      PHE   8  28.705  15.715  29.242
   67    HZ   PHE   8           HZ       PHE   8  28.127  13.762  30.655
   68    H    ARG   9           HN       ARG   9  30.140  15.018  25.864
   69    HA   ARG   9           HA       ARG   9  29.814  16.230  24.334
   70    HB2  ARG   9           HB2      ARG   9  32.564  15.785  23.134
   71    HB3  ARG   9           HB1      ARG   9  31.552  17.262  22.968
   72    HG2  ARG   9           HG2      ARG   9  32.479  18.154  24.833
   73    HG3  ARG   9           HG1      ARG   9  31.906  16.753  25.816
   74    HD2  ARG   9           HD2      ARG   9  34.579  16.957  24.261
   75    HD3  ARG   9           HD1      ARG   9  34.337  16.857  26.067
   76    HE   ARG   9           HE       ARG   9  32.989  14.626  24.811
   77   HH11  ARG   9          HH11      ARG   9  36.254  15.964  25.468
   78   HH12  ARG   9          HH12      ARG   9  37.047  14.427  25.526
   79   HH21  ARG   9          HH21      ARG   9  34.089  12.538  24.894
   80   HH22  ARG   9          HH22      ARG   9  35.794  12.441  25.193
   81    H    GLN  10           HN       GLN  10  28.556  14.070  24.032
   82    HA   GLN  10           HA       GLN  10  28.422  13.819  21.292
   83    HB2  GLN  10           HB2      GLN  10  30.420  12.551  21.428
   84    HB3  GLN  10           HB1      GLN  10  30.029  12.132  23.137
   85    HG2  GLN  10           HG2      GLN  10  28.390  10.425  22.357
   86    HG3  GLN  10           HG1      GLN  10  28.694  10.849  20.637
   87   HE21  GLN  10          HE21      GLN  10  29.419   8.356  22.722
   88    H    PHE  11           HN       PHE  11  27.128  13.794  24.293
   89    HA   PHE  11           HA       PHE  11  24.873  12.162  23.446
   90    HB2  PHE  11           HB2      PHE  11  26.221  12.356  26.110
   91    HB3  PHE  11           HB1      PHE  11  24.807  11.267  25.728
   92    HD1  PHE  11           HD1      PHE  11  28.201  12.256  24.911
   93    HD2  PHE  11           HD2      PHE  11  25.265   9.187  25.010
   94    HE1  PHE  11           HE1      PHE  11  29.858  10.614  24.397
   95    HE2  PHE  11           HE2      PHE  11  26.958   7.511  24.539
   96    HZ   PHE  11           HZ       PHE  11  29.277   8.226  24.220
   97    H    ILE  12           HN       ILE  12  26.471  14.260  25.478
   98    HA   ILE  12           HA       ILE  12  24.243  15.261  26.779
   99    HB   ILE  12           HB       ILE  12  27.043  16.243  26.861
  100   HG12  ILE  12          HG12      ILE  12  27.209  14.306  28.661
  101   HG13  ILE  12          HG11      ILE  12  26.132  13.557  27.482
  102   HG21  ILE  12          HG21      ILE  12  26.551  16.638  29.260
  103   HG22  ILE  12          HG22      ILE  12  25.001  15.721  29.141
  104   HG23  ILE  12          HG23      ILE  12  25.176  17.309  28.302
  105   HD11  ILE  12          HD11      ILE  12  28.901  14.577  27.038
  106   HD12  ILE  12          HD12      ILE  12  27.800  14.483  25.654
  107   HD13  ILE  12          HD13      ILE  12  28.211  12.989  26.588
  108    H    LEU  13           HN       LEU  13  26.526  15.546  24.559
  109    HA   LEU  13           HA       LEU  13  26.236  18.344  24.124
  110    HB2  LEU  13           HB2      LEU  13  28.026  16.052  24.527
  111    HB3  LEU  13           HB1      LEU  13  28.594  17.261  23.237
  112    HG   LEU  13           HG       LEU  13  29.285  18.769  24.831
  113   HD11  LEU  13          HD11      LEU  13  27.807  19.426  26.836
  114   HD12  LEU  13          HD12      LEU  13  26.568  18.282  26.193
  115   HD13  LEU  13          HD13      LEU  13  27.072  19.704  25.211
  116   HD21  LEU  13          HD21      LEU  13  29.094  16.143  26.068
  117   HD22  LEU  13          HD22      LEU  13  28.811  17.397  27.333
  118   HD23  LEU  13          HD23      LEU  13  30.322  17.427  26.342
  119    H    GLN  14           HN       GLN  14  25.620  15.321  22.942
  120    HA   GLN  14           HA       GLN  14  26.377  15.085  20.394
  121    HB2  GLN  14           HB2      GLN  14  23.927  14.169  20.079
  122    HB3  GLN  14           HB1      GLN  14  25.020  13.368  21.297
  123    HG2  GLN  14           HG2      GLN  14  24.123  14.863  23.104
  124    HG3  GLN  14           HG1      GLN  14  23.001  15.627  21.909
  125   HE21  GLN  14          HE21      GLN  14  21.086  14.865  22.988
  126   HE22  GLN  14          HE22      GLN  14  20.594  13.207  22.925
  127    H    ARG  15           HN       ARG  15  23.921  17.272  21.608
  128    HA   ARG  15           HA       ARG  15  22.777  17.770  19.105
  129    HB2  ARG  15           HB2      ARG  15  21.479  19.476  20.287
  130    HB3  ARG  15           HB1      ARG  15  21.609  17.992  21.304
  131    HG2  ARG  15           HG2      ARG  15  23.667  19.064  22.422
  132    HG3  ARG  15           HG1      ARG  15  23.232  20.587  21.576
  133    HD2  ARG  15           HD2      ARG  15  21.347  19.065  23.511
  134    HD3  ARG  15           HD1      ARG  15  22.323  20.536  23.937
  135    HE   ARG  15           HE       ARG  15  19.906  20.448  22.202
  136   HH11  ARG  15          HH11      ARG  15  22.773  22.231  23.353
  137   HH12  ARG  15          HH12      ARG  15  22.157  23.794  22.934
  138   HH21  ARG  15          HH21      ARG  15  19.074  22.573  21.636
  139   HH22  ARG  15          HH22      ARG  15  20.019  23.991  21.942
  140    H    LYS  16           HN       LYS  16  25.609  18.959  20.699
  141    HA   LYS  16           HA       LYS  16  25.619  21.288  18.947
  142    HB2  LYS  16           HB2      LYS  16  25.593  22.054  21.277
  143    HB3  LYS  16           HB1      LYS  16  26.826  20.821  21.727
  144    HG2  LYS  16           HG2      LYS  16  28.506  21.951  20.323
  145    HG3  LYS  16           HG1      LYS  16  27.291  23.155  19.778
  146    HD2  LYS  16           HD2      LYS  16  27.025  23.952  22.139
  147    HD3  LYS  16           HD1      LYS  16  28.230  22.737  22.687
  148    HE2  LYS  16           HE2      LYS  16  28.825  24.997  20.659
  149    HE3  LYS  16           HE1      LYS  16  29.221  25.052  22.427
  150    HZ1  LYS  16           HZ1      LYS  16  30.904  23.648  22.156
  151    HZ2  LYS  16           HZ2      LYS  16  30.853  24.155  20.536
  152    HZ3  LYS  16           HZ3      LYS  16  30.121  22.691  20.991
  153    H    LYS  17           HN       LYS  17  27.524  18.916  20.741
  154    HA   LYS  17           HA       LYS  17  29.506  17.974  20.308
  155    HB2  LYS  17           HB2      LYS  17  27.789  17.632  17.975
  156    HB3  LYS  17           HB1      LYS  17  29.504  17.712  17.434
  157    HG2  LYS  17           HG2      LYS  17  30.096  15.917  19.089
  158    HG3  LYS  17           HG1      LYS  17  28.372  15.832  19.594
  159    HD2  LYS  17           HD2      LYS  17  27.723  15.182  17.264
  160    HD3  LYS  17           HD1      LYS  17  29.445  15.274  16.757
  161    HE2  LYS  17           HE2      LYS  17  30.026  13.433  18.365
  162    HE3  LYS  17           HE1      LYS  17  28.291  13.345  18.886
  163    HZ1  LYS  17           HZ1      LYS  17  27.839  13.007  16.420
  164    HZ2  LYS  17           HZ2      LYS  17  28.524  11.724  17.295
  165    HZ3  LYS  17           HZ3      LYS  17  29.496  12.669  16.272
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  28.260   2.650  37.978
    2    H2   ALA   1           HT2      ALA   1  27.447   1.310  37.322
    3    H3   ALA   1           HT3      ALA   1  26.798   2.124  38.664
    4    HA   ALA   1           HA       ALA   1  25.709   2.605  36.510
    5    HB1  ALA   1           HB1      ALA   1  25.471   4.139  38.473
    6    HB2  ALA   1           HB2      ALA   1  25.594   5.100  36.950
    7    HB3  ALA   1           HB3      ALA   1  27.028   4.939  38.034
    8    H    MET   2           HN       MET   2  27.279   1.684  34.820
    9    HA   MET   2           HA       MET   2  28.529   3.981  33.495
   10    HB2  MET   2           HB2      MET   2  29.765   1.169  33.696
   11    HB3  MET   2           HB1      MET   2  30.370   2.512  32.658
   12    HG2  MET   2           HG2      MET   2  30.825   3.887  34.687
   13    HG3  MET   2           HG1      MET   2  30.201   2.574  35.733
   14    HE1  MET   2           HE1      MET   2  32.301   2.544  37.202
   15    HE2  MET   2           HE2      MET   2  32.800   3.972  36.229
   16    HE3  MET   2           HE3      MET   2  33.976   2.652  36.554
   17    H    ARG   3           HN       ARG   3  28.941   3.535  31.232
   18    HA   ARG   3           HA       ARG   3  27.828   1.543  29.775
   19    HB2  ARG   3           HB2      ARG   3  25.540   2.159  30.479
   20    HB3  ARG   3           HB1      ARG   3  26.001   3.908  30.428
   21    HG2  ARG   3           HG2      ARG   3  26.191   3.883  28.017
   22    HG3  ARG   3           HG1      ARG   3  25.938   2.104  27.949
   23    HD2  ARG   3           HD2      ARG   3  23.817   4.057  29.083
   24    HD3  ARG   3           HD1      ARG   3  23.855   3.518  27.348
   25    HE   ARG   3           HE       ARG   3  23.097   1.877  29.697
   26   HH11  ARG   3          HH11      ARG   3  24.197   1.970  26.305
   27   HH12  ARG   3          HH12      ARG   3  23.601   0.392  25.910
   28   HH21  ARG   3          HH21      ARG   3  22.291  -0.266  29.155
   29   HH22  ARG   3          HH22      ARG   3  22.501  -0.898  27.557
   30    H    LEU   4           HN       LEU   4  28.198   4.836  30.580
   31    HA   LEU   4           HA       LEU   4  28.346   6.100  28.273
   32    HB2  LEU   4           HB2      LEU   4  29.988   6.596  30.827
   33    HB3  LEU   4           HB1      LEU   4  29.838   7.793  29.498
   34    HG   LEU   4           HG       LEU   4  28.009   7.167  31.725
   35   HD11  LEU   4          HD11      LEU   4  27.286   9.556  30.188
   36   HD12  LEU   4          HD12      LEU   4  29.078   9.460  30.339
   37   HD13  LEU   4          HD13      LEU   4  28.046   9.432  31.818
   38   HD21  LEU   4          HD21      LEU   4  25.943   7.870  30.116
   39   HD22  LEU   4          HD22      LEU   4  26.367   6.147  30.432
   40   HD23  LEU   4          HD23      LEU   4  26.887   6.938  28.897
   41    H    SER   5           HN       SER   5  29.343   5.190  26.591
   42    HA   SER   5           HA       SER   5  32.039   4.136  26.897
   43    HB2  SER   5           HB2      SER   5  30.115   4.084  24.498
   44    HB3  SER   5           HB1      SER   5  31.770   3.350  24.494
   45    HG   SER   5           HG       SER   5  29.866   2.742  26.497
   46    H    DPP   6           HN       DPP   6  30.697   5.952  23.985
   47    HA   DPP   6           HA       DPP   6  33.267   7.200  23.668
   48    HB2  DPP   6           HB2      DPP   6  31.357   6.667  21.750
   49    HB3  DPP   6           HB3      DPP   6  32.469   8.070  21.569
   50    H    PHE   7           HN       PHE   7  31.979   7.672  26.302
   51    HA   PHE   7           HA       PHE   7  30.425   9.870  26.029
   52    HB2  PHE   7           HB2      PHE   7  31.143   8.511  28.379
   53    HB3  PHE   7           HB1      PHE   7  31.273  10.324  28.580
   54    HD1  PHE   7           HD1      PHE   7  29.090   7.621  27.544
   55    HD2  PHE   7           HD2      PHE   7  29.520  11.736  28.180
   56    HE1  PHE   7           HE1      PHE   7  26.702   7.930  27.326
   57    HE2  PHE   7           HE2      PHE   7  27.174  12.043  27.929
   58    HZ   PHE   7           HZ       PHE   7  25.837  10.129  27.571
   59    H    PHE   8           HN       PHE   8  30.227  11.540  26.461
   60    HA   PHE   8           HA       PHE   8  30.354  13.486  26.629
   61    HB2  PHE   8           HB2      PHE   8  33.164  12.964  27.668
   62    HB3  PHE   8           HB1      PHE   8  32.753  14.679  27.161
   63    HD1  PHE   8           HD1      PHE   8  31.913  11.916  29.358
   64    HD2  PHE   8           HD2      PHE   8  30.903  15.704  27.840
   65    HE1  PHE   8           HE1      PHE   8  29.908  11.887  30.704
   66    HE2  PHE   8           HE2      PHE   8  28.943  15.770  29.167
   67    HZ   PHE   8           HZ       PHE   8  28.417  13.856  30.650
   68    H    ARG   9           HN       ARG   9  30.319  15.009  25.787
   69    HA   ARG   9           HA       ARG   9  29.944  16.196  24.249
   70    HB2  ARG   9           HB2      ARG   9  32.661  15.751  22.981
   71    HB3  ARG   9           HB1      ARG   9  31.637  17.220  22.829
   72    HG2  ARG   9           HG2      ARG   9  32.620  18.137  24.653
   73    HG3  ARG   9           HG1      ARG   9  32.070  16.752  25.670
   74    HD2  ARG   9           HD2      ARG   9  34.708  16.941  24.054
   75    HD3  ARG   9           HD1      ARG   9  34.502  16.840  25.866
   76    HE   ARG   9           HE       ARG   9  33.124  14.611  24.653
   77   HH11  ARG   9          HH11      ARG   9  36.414  15.947  25.180
   78   HH12  ARG   9          HH12      ARG   9  37.206  14.407  25.204
   79   HH21  ARG   9          HH21      ARG   9  34.224  12.521  24.687
   80   HH22  ARG   9          HH22      ARG   9  35.938  12.424  24.919
   81    H    GLN  10           HN       GLN  10  28.663  14.054  23.991
   82    HA   GLN  10           HA       GLN  10  28.459  13.773  21.261
   83    HB2  GLN  10           HB2      GLN  10  30.471  12.535  21.346
   84    HB3  GLN  10           HB1      GLN  10  30.140  12.118  23.067
   85    HG2  GLN  10           HG2      GLN  10  28.509  10.385  22.349
   86    HG3  GLN  10           HG1      GLN  10  28.754  10.804  20.616
   87   HE21  GLN  10          HE21      GLN  10  29.607   8.309  22.635
   88    H    PHE  11           HN       PHE  11  27.272  13.722  24.316
   89    HA   PHE  11           HA       PHE  11  25.018  12.056  23.539
   90    HB2  PHE  11           HB2      PHE  11  26.451  12.304  26.151
   91    HB3  PHE  11           HB1      PHE  11  25.028  11.203  25.841
   92    HD1  PHE  11           HD1      PHE  11  28.388  12.184  24.889
   93    HD2  PHE  11           HD2      PHE  11  25.454   9.120  25.118
   94    HE1  PHE  11           HE1      PHE  11  30.033  10.520  24.340
   95    HE2  PHE  11           HE2      PHE  11  27.117   7.426  24.608
   96    HZ   PHE  11           HZ       PHE  11  29.439   8.102  24.195
   97    H    ILE  12           HN       ILE  12  26.634  14.222  25.480
   98    HA   ILE  12           HA       ILE  12  24.427  15.223  26.821
   99    HB   ILE  12           HB       ILE  12  27.221  16.227  26.817
  100   HG12  ILE  12          HG12      ILE  12  27.448  14.321  28.644
  101   HG13  ILE  12          HG11      ILE  12  26.346  13.549  27.501
  102   HG21  ILE  12          HG21      ILE  12  26.778  16.609  29.248
  103   HG22  ILE  12          HG22      ILE  12  25.197  15.748  29.125
  104   HG23  ILE  12          HG23      ILE  12  25.430  17.330  28.289
  105   HD11  ILE  12          HD11      ILE  12  27.968  14.468  25.624
  106   HD12  ILE  12          HD12      ILE  12  28.398  12.977  26.550
  107   HD13  ILE  12          HD13      ILE  12  29.101  14.566  26.987
  108    H    LEU  13           HN       LEU  13  26.664  15.493  24.549
  109    HA   LEU  13           HA       LEU  13  26.346  18.282  24.075
  110    HB2  LEU  13           HB2      LEU  13  28.158  16.005  24.482
  111    HB3  LEU  13           HB1      LEU  13  28.693  17.193  23.159
  112    HG   LEU  13           HG       LEU  13  29.400  18.740  24.708
  113   HD11  LEU  13          HD11      LEU  13  27.193  19.665  25.127
  114   HD12  LEU  13          HD12      LEU  13  27.957  19.407  26.742
  115   HD13  LEU  13          HD13      LEU  13  26.715  18.248  26.132
  116   HD21  LEU  13          HD21      LEU  13  29.008  17.415  27.246
  117   HD22  LEU  13          HD22      LEU  13  30.489  17.431  26.210
  118   HD23  LEU  13          HD23      LEU  13  29.260  16.135  26.003
  119    H    GLN  14           HN       GLN  14  25.659  15.275  22.957
  120    HA   GLN  14           HA       GLN  14  26.383  15.023  20.382
  121    HB2  GLN  14           HB2      GLN  14  23.935  14.069  20.151
  122    HB3  GLN  14           HB1      GLN  14  25.082  13.288  21.334
  123    HG2  GLN  14           HG2      GLN  14  24.224  14.723  23.177
  124    HG3  GLN  14           HG1      GLN  14  23.109  15.558  22.035
  125   HE21  GLN  14          HE21      GLN  14  23.838  12.034  21.811
  126   HE22  GLN  14          HE22      GLN  14  22.251  11.490  22.236
  127    H    ARG  15           HN       ARG  15  23.971  17.224  21.683
  128    HA   ARG  15           HA       ARG  15  22.862  17.690  19.115
  129    HB2  ARG  15           HB2      ARG  15  21.290  19.141  20.267
  130    HB3  ARG  15           HB1      ARG  15  21.520  17.639  21.237
  131    HG2  ARG  15           HG2      ARG  15  23.422  18.965  22.469
  132    HG3  ARG  15           HG1      ARG  15  22.676  20.427  21.739
  133    HD2  ARG  15           HD2      ARG  15  21.718  20.142  23.992
  134    HD3  ARG  15           HD1      ARG  15  20.422  19.698  22.794
  135    HE   ARG  15           HE       ARG  15  22.009  17.369  23.563
  136   HH11  ARG  15          HH11      ARG  15  19.447  19.616  24.600
  137   HH12  ARG  15          HH12      ARG  15  18.640  18.469  25.618
  138   HH21  ARG  15          HH21      ARG  15  20.912  15.807  24.941
  139   HH22  ARG  15          HH22      ARG  15  19.489  16.266  25.815
  140    H    LYS  16           HN       LYS  16  25.467  19.004  20.992
  141    HA   LYS  16           HA       LYS  16  25.239  21.564  19.559
  142    HB2  LYS  16           HB2      LYS  16  27.108  20.778  21.872
  143    HB3  LYS  16           HB1      LYS  16  26.909  22.433  21.177
  144    HG2  LYS  16           HG2      LYS  16  24.513  22.427  21.930
  145    HG3  LYS  16           HG1      LYS  16  24.778  20.798  22.645
  146    HD2  LYS  16           HD2      LYS  16  26.530  21.738  24.160
  147    HD3  LYS  16           HD1      LYS  16  26.278  23.369  23.446
  148    HE2  LYS  16           HE2      LYS  16  23.903  23.372  24.269
  149    HE3  LYS  16           HE1      LYS  16  24.153  21.724  24.982
  150    HZ1  LYS  16           HZ1      LYS  16  25.099  22.627  26.720
  151    HZ2  LYS  16           HZ2      LYS  16  24.678  24.165  26.136
  152    HZ3  LYS  16           HZ3      LYS  16  26.205  23.512  25.785
  153    H    LYS  17           HN       LYS  17  27.093  18.808  20.455
  154    HA   LYS  17           HA       LYS  17  29.158  19.508  18.466
  155    HB2  LYS  17           HB2      LYS  17  29.037  17.748  20.930
  156    HB3  LYS  17           HB1      LYS  17  30.162  17.261  19.608
  157    HG2  LYS  17           HG2      LYS  17  30.183  20.130  20.668
  158    HG3  LYS  17           HG1      LYS  17  31.010  18.824  21.583
  159    HD2  LYS  17           HD2      LYS  17  32.421  18.283  19.630
  160    HD3  LYS  17           HD1      LYS  17  31.524  19.460  18.611
  161    HE2  LYS  17           HE2      LYS  17  33.658  20.476  19.325
  162    HE3  LYS  17           HE1      LYS  17  32.307  21.324  20.185
  163    HZ1  LYS  17           HZ1      LYS  17  34.495  20.184  21.315
  164    HZ2  LYS  17           HZ2      LYS  17  33.281  19.031  21.602
  165    HZ3  LYS  17           HZ3      LYS  17  33.066  20.635  22.114
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  29.702   0.657  37.130
    2    H2   ALA   1           HT2      ALA   1  28.743   1.270  38.390
    3    H3   ALA   1           HT3      ALA   1  29.440   2.331  37.262
    4    HA   ALA   1           HA       ALA   1  27.838   0.306  36.056
    5    HB1  ALA   1           HB1      ALA   1  26.538   0.618  38.197
    6    HB2  ALA   1           HB2      ALA   1  25.626   1.257  36.776
    7    HB3  ALA   1           HB3      ALA   1  26.490   2.394  37.880
    8    H    MET   2           HN       MET   2  29.745   1.996  34.947
    9    HA   MET   2           HA       MET   2  28.189   4.266  33.898
   10    HB2  MET   2           HB2      MET   2  31.114   3.514  33.405
   11    HB3  MET   2           HB1      MET   2  30.285   5.008  32.860
   12    HG2  MET   2           HG2      MET   2  30.903   4.192  35.765
   13    HG3  MET   2           HG1      MET   2  31.718   5.476  34.819
   14    HE1  MET   2           HE1      MET   2  29.136   7.114  33.335
   15    HE2  MET   2           HE2      MET   2  30.842   7.325  33.859
   16    HE3  MET   2           HE3      MET   2  29.559   8.390  34.529
   17    H    ARG   3           HN       ARG   3  26.908   3.613  32.395
   18    HA   ARG   3           HA       ARG   3  27.661   1.635  30.559
   19    HB2  ARG   3           HB2      ARG   3  25.264   2.107  31.033
   20    HB3  ARG   3           HB1      ARG   3  25.555   3.839  30.616
   21    HG2  ARG   3           HG2      ARG   3  25.905   3.347  28.300
   22    HG3  ARG   3           HG1      ARG   3  25.961   1.571  28.594
   23    HD2  ARG   3           HD2      ARG   3  23.449   3.302  29.140
   24    HD3  ARG   3           HD1      ARG   3  23.744   2.403  27.586
   25    HE   ARG   3           HE       ARG   3  24.093   0.549  29.737
   26   HH11  ARG   3          HH11      ARG   3  21.586   2.597  28.252
   27   HH12  ARG   3          HH12      ARG   3  20.272   1.542  28.647
   28   HH21  ARG   3          HH21      ARG   3  22.305  -0.889  30.274
   29   HH22  ARG   3          HH22      ARG   3  20.687  -0.474  29.817
   30    H    LEU   4           HN       LEU   4  27.432   5.030  30.864
   31    HA   LEU   4           HA       LEU   4  27.689   6.169  28.620
   32    HB2  LEU   4           HB2      LEU   4  29.357   6.785  31.124
   33    HB3  LEU   4           HB1      LEU   4  29.256   7.910  29.731
   34    HG   LEU   4           HG       LEU   4  27.390   7.476  31.958
   35   HD11  LEU   4          HD11      LEU   4  28.494   9.639  30.423
   36   HD12  LEU   4          HD12      LEU   4  27.402   9.743  31.853
   37   HD13  LEU   4          HD13      LEU   4  26.710   9.723  30.188
   38   HD21  LEU   4          HD21      LEU   4  26.257   7.169  29.117
   39   HD22  LEU   4          HD22      LEU   4  25.298   7.965  30.419
   40   HD23  LEU   4          HD23      LEU   4  25.858   6.263  30.628
   41    H    SER   5           HN       SER   5  28.626   5.180  26.934
   42    HA   SER   5           HA       SER   5  31.559   4.853  27.012
   43    HB2  SER   5           HB2      SER   5  30.381   2.643  26.629
   44    HB3  SER   5           HB1      SER   5  29.525   3.379  25.217
   45    HG   SER   5           HG       SER   5  31.216   3.046  24.089
   46    H    DPP   6           HN       DPP   6  32.759   5.971  25.447
   47    HA   DPP   6           HA       DPP   6  33.204   7.424  23.819
   48    HB2  DPP   6           HB2      DPP   6  30.843   6.302  22.555
   49    HB3  DPP   6           HB3      DPP   6  32.007   7.442  21.788
   50    H    PHE   7           HN       PHE   7  31.638   7.666  26.589
   51    HA   PHE   7           HA       PHE   7  30.099   9.854  26.199
   52    HB2  PHE   7           HB2      PHE   7  30.627   8.521  28.604
   53    HB3  PHE   7           HB1      PHE   7  30.810  10.332  28.800
   54    HD1  PHE   7           HD1      PHE   7  28.561   7.680  27.800
   55    HD2  PHE   7           HD2      PHE   7  29.142  11.815  28.180
   56    HE1  PHE   7           HE1      PHE   7  26.199   8.069  27.483
   57    HE2  PHE   7           HE2      PHE   7  26.821  12.198  27.821
   58    HZ   PHE   7           HZ       PHE   7  25.420  10.313  27.547
   59    H    PHE   8           HN       PHE   8  29.904  11.556  26.542
   60    HA   PHE   8           HA       PHE   8  30.079  13.506  26.694
   61    HB2  PHE   8           HB2      PHE   8  32.810  12.929  27.911
   62    HB3  PHE   8           HB1      PHE   8  32.479  14.640  27.341
   63    HD1  PHE   8           HD1      PHE   8  31.434  11.958  29.551
   64    HD2  PHE   8           HD2      PHE   8  30.628  15.729  27.881
   65    HE1  PHE   8           HE1      PHE   8  29.353  12.020  30.772
   66    HE2  PHE   8           HE2      PHE   8  28.596  15.886  29.077
   67    HZ   PHE   8           HZ       PHE   8  27.925  14.026  30.575
   68    H    ARG   9           HN       ARG   9  30.129  14.986  25.783
   69    HA   ARG   9           HA       ARG   9  29.909  16.130  24.180
   70    HB2  ARG   9           HB2      ARG   9  32.680  15.515  23.113
   71    HB3  ARG   9           HB1      ARG   9  31.736  17.017  22.830
   72    HG2  ARG   9           HG2      ARG   9  32.617  17.977  24.686
   73    HG3  ARG   9           HG1      ARG   9  31.980  16.638  25.716
   74    HD2  ARG   9           HD2      ARG   9  34.698  16.692  24.227
   75    HD3  ARG   9           HD1      ARG   9  34.408  16.701  26.030
   76    HE   ARG   9           HE       ARG   9  33.030  14.439  24.859
   77   HH11  ARG   9          HH11      ARG   9  36.312  15.723  25.543
   78   HH12  ARG   9          HH12      ARG   9  37.056  14.168  25.712
   79   HH21  ARG   9          HH21      ARG   9  34.064  12.330  25.096
   80   HH22  ARG   9          HH22      ARG   9  35.755  12.204  25.454
   81    H    GLN  10           HN       GLN  10  28.581  14.000  23.944
   82    HA   GLN  10           HA       GLN  10  28.533  13.615  21.220
   83    HB2  GLN  10           HB2      GLN  10  30.484  12.295  21.466
   84    HB3  GLN  10           HB1      GLN  10  30.049  11.986  23.187
   85    HG2  GLN  10           HG2      GLN  10  28.376  10.280  22.466
   86    HG3  GLN  10           HG1      GLN  10  28.740  10.590  20.733
   87   HE21  GLN  10          HE21      GLN  10  29.336   8.209  22.980
   88    H    PHE  11           HN       PHE  11  27.155  13.761  24.175
   89    HA   PHE  11           HA       PHE  11  24.900  12.122  23.352
   90    HB2  PHE  11           HB2      PHE  11  26.162  12.474  26.035
   91    HB3  PHE  11           HB1      PHE  11  24.737  11.392  25.684
   92    HD1  PHE  11           HD1      PHE  11  28.177  12.252  24.886
   93    HD2  PHE  11           HD2      PHE  11  25.174   9.251  25.138
   94    HE1  PHE  11           HE1      PHE  11  29.806  10.544  24.519
   95    HE2  PHE  11           HE2      PHE  11  26.837   7.515  24.817
   96    HZ   PHE  11           HZ       PHE  11  29.179   8.155  24.508
   97    H    ILE  12           HN       ILE  12  26.465  14.331  25.290
   98    HA   ILE  12           HA       ILE  12  24.217  15.445  26.454
   99    HB   ILE  12           HB       ILE  12  27.038  16.350  26.615
  100   HG12  ILE  12          HG12      ILE  12  27.077  14.499  28.506
  101   HG13  ILE  12          HG11      ILE  12  26.027  13.724  27.319
  102   HG21  ILE  12          HG21      ILE  12  25.097  17.504  27.922
  103   HG22  ILE  12          HG22      ILE  12  26.464  16.913  28.942
  104   HG23  ILE  12          HG23      ILE  12  24.930  15.969  28.857
  105   HD11  ILE  12          HD11      ILE  12  27.794  14.520  25.522
  106   HD12  ILE  12          HD12      ILE  12  28.117  13.057  26.533
  107   HD13  ILE  12          HD13      ILE  12  28.840  14.641  26.954
  108    H    LEU  13           HN       LEU  13  26.613  15.608  24.330
  109    HA   LEU  13           HA       LEU  13  26.435  18.414  23.875
  110    HB2  LEU  13           HB2      LEU  13  28.122  16.056  24.350
  111    HB3  LEU  13           HB1      LEU  13  28.783  17.224  23.063
  112    HG   LEU  13           HG       LEU  13  29.469  18.734  24.661
  113   HD11  LEU  13          HD11      LEU  13  27.946  19.429  26.633
  114   HD12  LEU  13          HD12      LEU  13  26.690  18.343  25.925
  115   HD13  LEU  13          HD13      LEU  13  27.292  19.756  24.983
  116   HD21  LEU  13          HD21      LEU  13  30.414  17.353  26.195
  117   HD22  LEU  13          HD22      LEU  13  29.133  16.125  25.904
  118   HD23  LEU  13          HD23      LEU  13  28.882  17.400  27.152
  119    H    GLN  14           HN       GLN  14  25.843  15.395  22.610
  120    HA   GLN  14           HA       GLN  14  26.728  15.356  20.049
  121    HB2  GLN  14           HB2      GLN  14  24.409  14.195  19.632
  122    HB3  GLN  14           HB1      GLN  14  25.557  13.455  20.840
  123    HG2  GLN  14           HG2      GLN  14  24.462  14.675  22.694
  124    HG3  GLN  14           HG1      GLN  14  23.345  15.491  21.546
  125   HE21  GLN  14          HE21      GLN  14  24.413  12.056  21.189
  126   HE22  GLN  14          HE22      GLN  14  22.852  11.353  21.446
  127    H    ARG  15           HN       ARG  15  24.120  17.254  21.387
  128    HA   ARG  15           HA       ARG  15  22.907  17.755  18.912
  129    HB2  ARG  15           HB2      ARG  15  21.457  19.271  20.175
  130    HB3  ARG  15           HB1      ARG  15  21.719  17.750  21.107
  131    HG2  ARG  15           HG2      ARG  15  23.655  18.926  22.311
  132    HG3  ARG  15           HG1      ARG  15  23.117  20.453  21.534
  133    HD2  ARG  15           HD2      ARG  15  21.325  18.696  23.357
  134    HD3  ARG  15           HD1      ARG  15  22.186  20.208  23.879
  135    HE   ARG  15           HE       ARG  15  19.807  20.043  22.096
  136   HH11  ARG  15          HH11      ARG  15  22.521  21.958  23.396
  137   HH12  ARG  15          HH12      ARG  15  21.798  23.494  23.054
  138   HH21  ARG  15          HH21      ARG  15  18.829  22.131  21.636
  139   HH22  ARG  15          HH22      ARG  15  19.665  23.594  22.038
  140    H    LYS  16           HN       LYS  16  25.629  19.166  20.584
  141    HA   LYS  16           HA       LYS  16  25.332  21.555  18.921
  142    HB2  LYS  16           HB2      LYS  16  25.287  22.284  21.231
  143    HB3  LYS  16           HB1      LYS  16  26.563  21.097  21.684
  144    HG2  LYS  16           HG2      LYS  16  28.234  22.336  20.387
  145    HG3  LYS  16           HG1      LYS  16  26.987  23.486  19.794
  146    HD2  LYS  16           HD2      LYS  16  26.629  24.372  22.047
  147    HD3  LYS  16           HD1      LYS  16  27.642  23.079  22.775
  148    HE2  LYS  16           HE2      LYS  16  28.911  25.221  22.668
  149    HE3  LYS  16           HE1      LYS  16  29.661  24.008  21.548
  150    HZ1  LYS  16           HZ1      LYS  16  28.993  26.488  20.872
  151    HZ2  LYS  16           HZ2      LYS  16  27.578  25.675  20.404
  152    HZ3  LYS  16           HZ3      LYS  16  29.082  25.193  19.779
  153    H    LYS  17           HN       LYS  17  27.383  19.146  20.397
  154    HA   LYS  17           HA       LYS  17  29.508  19.803  18.485
  155    HB2  LYS  17           HB2      LYS  17  29.378  18.135  21.043
  156    HB3  LYS  17           HB1      LYS  17  30.818  18.107  19.953
  157    HG2  LYS  17           HG2      LYS  17  31.073  20.590  20.257
  158    HG3  LYS  17           HG1      LYS  17  29.655  20.595  21.360
  159    HD2  LYS  17           HD2      LYS  17  30.868  19.035  22.909
  160    HD3  LYS  17           HD1      LYS  17  32.291  19.062  21.813
  161    HE2  LYS  17           HE2      LYS  17  31.102  21.549  23.218
  162    HE3  LYS  17           HE1      LYS  17  32.562  20.629  23.771
  163    HZ1  LYS  17           HZ1      LYS  17  32.274  22.559  21.678
  164    HZ2  LYS  17           HZ2      LYS  17  33.035  21.139  21.140
  165    HZ3  LYS  17           HZ3      LYS  17  33.665  21.989  22.468
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  28.070   2.649  38.199
    2    H2   ALA   1           HT2      ALA   1  27.671   1.381  37.141
    3    H3   ALA   1           HT3      ALA   1  26.638   1.766  38.433
    4    HA   ALA   1           HA       ALA   1  25.672   2.614  36.487
    5    HB1  ALA   1           HB1      ALA   1  25.624   5.088  37.018
    6    HB2  ALA   1           HB2      ALA   1  27.078   4.860  38.063
    7    HB3  ALA   1           HB3      ALA   1  25.512   4.084  38.512
    8    H    MET   2           HN       MET   2  27.295   1.665  34.810
    9    HA   MET   2           HA       MET   2  28.522   3.981  33.491
   10    HB2  MET   2           HB2      MET   2  29.792   1.190  33.775
   11    HB3  MET   2           HB1      MET   2  30.358   2.469  32.638
   12    HG2  MET   2           HG2      MET   2  30.708   3.993  34.658
   13    HG3  MET   2           HG1      MET   2  30.341   2.593  35.713
   14    HE1  MET   2           HE1      MET   2  33.099   0.183  35.581
   15    HE2  MET   2           HE2      MET   2  31.808   0.015  34.341
   16    HE3  MET   2           HE3      MET   2  31.405   0.633  35.980
   17    H    ARG   3           HN       ARG   3  28.947   3.537  31.230
   18    HA   ARG   3           HA       ARG   3  27.854   1.531  29.774
   19    HB2  ARG   3           HB2      ARG   3  25.569   2.163  30.508
   20    HB3  ARG   3           HB1      ARG   3  26.021   3.909  30.371
   21    HG2  ARG   3           HG2      ARG   3  26.178   3.792  27.977
   22    HG3  ARG   3           HG1      ARG   3  25.994   2.001  27.975
   23    HD2  ARG   3           HD2      ARG   3  23.639   2.177  28.731
   24    HD3  ARG   3           HD1      ARG   3  23.809   3.977  28.947
   25    HE   ARG   3           HE       ARG   3  24.539   3.419  26.260
   26   HH11  ARG   3          HH11      ARG   3  21.734   3.039  28.421
   27   HH12  ARG   3          HH12      ARG   3  20.550   3.201  27.168
   28   HH21  ARG   3          HH21      ARG   3  22.930   3.641  24.554
   29   HH22  ARG   3          HH22      ARG   3  21.243   3.550  24.931
   30    H    LEU   4           HN       LEU   4  28.199   4.831  30.559
   31    HA   LEU   4           HA       LEU   4  28.337   6.096  28.259
   32    HB2  LEU   4           HB2      LEU   4  30.001   6.581  30.800
   33    HB3  LEU   4           HB1      LEU   4  29.847   7.782  29.476
   34    HG   LEU   4           HG       LEU   4  28.029   7.158  31.711
   35   HD11  LEU   4          HD11      LEU   4  29.106   9.448  30.341
   36   HD12  LEU   4          HD12      LEU   4  28.056   9.423  31.807
   37   HD13  LEU   4          HD13      LEU   4  27.315   9.551  30.170
   38   HD21  LEU   4          HD21      LEU   4  26.888   6.949  28.887
   39   HD22  LEU   4          HD22      LEU   4  25.955   7.867  30.120
   40   HD23  LEU   4          HD23      LEU   4  26.383   6.141  30.418
   41    H    SER   5           HN       SER   5  29.305   5.201  26.562
   42    HA   SER   5           HA       SER   5  31.986   4.115  26.796
   43    HB2  SER   5           HB2      SER   5  31.614   3.602  24.247
   44    HB3  SER   5           HB1      SER   5  30.608   2.694  25.443
   45    HG   SER   5           HG       SER   5  29.003   3.487  24.430
   46    H    DPP   6           HN       DPP   6  30.731   5.974  23.903
   47    HA   DPP   6           HA       DPP   6  33.292   7.247  23.658
   48    HB2  DPP   6           HB2      DPP   6  31.414   6.742  21.707
   49    HB3  DPP   6           HB3      DPP   6  32.517   8.157  21.565
   50    H    PHE   7           HN       PHE   7  31.990   7.693  26.286
   51    HA   PHE   7           HA       PHE   7  30.430   9.890  26.027
   52    HB2  PHE   7           HB2      PHE   7  31.145   8.512  28.366
   53    HB3  PHE   7           HB1      PHE   7  31.271  10.324  28.584
   54    HD1  PHE   7           HD1      PHE   7  29.094   7.624  27.528
   55    HD2  PHE   7           HD2      PHE   7  29.519  11.736  28.186
   56    HE1  PHE   7           HE1      PHE   7  26.707   7.930  27.309
   57    HE2  PHE   7           HE2      PHE   7  27.172  12.041  27.932
   58    HZ   PHE   7           HZ       PHE   7  25.838  10.129  27.562
   59    H    PHE   8           HN       PHE   8  30.227  11.557  26.462
   60    HA   PHE   8           HA       PHE   8  30.351  13.502  26.649
   61    HB2  PHE   8           HB2      PHE   8  33.160  12.977  27.689
   62    HB3  PHE   8           HB1      PHE   8  32.747  14.694  27.194
   63    HD1  PHE   8           HD1      PHE   8  31.910  11.914  29.369
   64    HD2  PHE   8           HD2      PHE   8  30.894  15.711  27.879
   65    HE1  PHE   8           HE1      PHE   8  29.905  11.871  30.712
   66    HE2  PHE   8           HE2      PHE   8  28.935  15.765  29.204
   67    HZ   PHE   8           HZ       PHE   8  28.411  13.840  30.673
   68    H    ARG   9           HN       ARG   9  30.312  15.031  25.818
   69    HA   ARG   9           HA       ARG   9  29.938  16.232  24.289
   70    HB2  ARG   9           HB2      ARG   9  32.661  15.797  23.025
   71    HB3  ARG   9           HB1      ARG   9  31.636  17.265  22.880
   72    HG2  ARG   9           HG2      ARG   9  32.610  18.173  24.715
   73    HG3  ARG   9           HG1      ARG   9  32.062  16.777  25.720
   74    HD2  ARG   9           HD2      ARG   9  34.701  16.983  24.107
   75    HD3  ARG   9           HD1      ARG   9  34.495  16.878  25.918
   76    HE   ARG   9           HE       ARG   9  33.126  14.648  24.691
   77   HH11  ARG   9          HH11      ARG   9  36.407  15.990  25.253
   78   HH12  ARG   9          HH12      ARG   9  37.202  14.452  25.285
   79   HH21  ARG   9          HH21      ARG   9  34.229  12.561  24.739
   80   HH22  ARG   9          HH22      ARG   9  35.942  12.467  24.988
   81    H    GLN  10           HN       GLN  10  28.663  14.087  24.014
   82    HA   GLN  10           HA       GLN  10  28.462  13.824  21.283
   83    HB2  GLN  10           HB2      GLN  10  30.480  12.596  21.359
   84    HB3  GLN  10           HB1      GLN  10  30.150  12.165  23.077
   85    HG2  GLN  10           HG2      GLN  10  28.530  10.429  22.344
   86    HG3  GLN  10           HG1      GLN  10  28.774  10.862  20.614
   87   HE21  GLN  10          HE21      GLN  10  29.642   8.356  22.613
   88    H    PHE  11           HN       PHE  11  27.271  13.755  24.333
   89    HA   PHE  11           HA       PHE  11  25.020  12.088  23.544
   90    HB2  PHE  11           HB2      PHE  11  26.450  12.313  26.160
   91    HB3  PHE  11           HB1      PHE  11  25.034  11.210  25.836
   92    HD1  PHE  11           HD1      PHE  11  28.393  12.211  24.898
   93    HD2  PHE  11           HD2      PHE  11  25.471   9.133  25.103
   94    HE1  PHE  11           HE1      PHE  11  30.044  10.558  24.338
   95    HE2  PHE  11           HE2      PHE  11  27.142   7.451  24.583
   96    HZ   PHE  11           HZ       PHE  11  29.461   8.139  24.175
   97    H    ILE  12           HN       ILE  12  26.635  14.244  25.503
   98    HA   ILE  12           HA       ILE  12  24.425  15.222  26.855
   99    HB   ILE  12           HB       ILE  12  27.215  16.236  26.858
  100   HG12  ILE  12          HG12      ILE  12  27.444  14.314  28.670
  101   HG13  ILE  12          HG11      ILE  12  26.344  13.550  27.519
  102   HG21  ILE  12          HG21      ILE  12  25.290  15.692  29.227
  103   HG22  ILE  12          HG22      ILE  12  25.320  17.260  28.336
  104   HG23  ILE  12          HG23      ILE  12  26.782  16.704  29.234
  105   HD11  ILE  12          HD11      ILE  12  28.398  12.988  26.568
  106   HD12  ILE  12          HD12      ILE  12  29.097  14.580  27.013
  107   HD13  ILE  12          HD13      ILE  12  27.969  14.484  25.651
  108    H    LEU  13           HN       LEU  13  26.655  15.520  24.585
  109    HA   LEU  13           HA       LEU  13  26.331  18.310  24.134
  110    HB2  LEU  13           HB2      LEU  13  28.148  16.030  24.512
  111    HB3  LEU  13           HB1      LEU  13  28.675  17.231  23.197
  112    HG   LEU  13           HG       LEU  13  29.391  18.763  24.758
  113   HD11  LEU  13          HD11      LEU  13  27.186  19.690  25.185
  114   HD12  LEU  13          HD12      LEU  13  27.951  19.420  26.798
  115   HD13  LEU  13          HD13      LEU  13  26.706  18.268  26.181
  116   HD21  LEU  13          HD21      LEU  13  28.993  17.423  27.288
  117   HD22  LEU  13          HD22      LEU  13  30.476  17.442  26.254
  118   HD23  LEU  13          HD23      LEU  13  29.245  16.150  26.036
  119    H    GLN  14           HN       GLN  14  25.688  15.287  22.989
  120    HA   GLN  14           HA       GLN  14  26.361  15.089  20.401
  121    HB2  GLN  14           HB2      GLN  14  23.936  14.090  20.189
  122    HB3  GLN  14           HB1      GLN  14  25.101  13.319  21.358
  123    HG2  GLN  14           HG2      GLN  14  24.231  14.767  23.208
  124    HG3  GLN  14           HG1      GLN  14  23.047  15.514  22.068
  125   HE21  GLN  14          HE21      GLN  14  21.188  14.696  23.201
  126   HE22  GLN  14          HE22      GLN  14  20.738  13.026  23.142
  127    H    ARG  15           HN       ARG  15  23.935  17.209  21.775
  128    HA   ARG  15           HA       ARG  15  22.657  17.690  19.327
  129    HB2  ARG  15           HB2      ARG  15  21.331  19.314  20.579
  130    HB3  ARG  15           HB1      ARG  15  21.561  17.826  21.569
  131    HG2  ARG  15           HG2      ARG  15  23.581  18.954  22.658
  132    HG3  ARG  15           HG1      ARG  15  23.111  20.468  21.814
  133    HD2  ARG  15           HD2      ARG  15  20.873  20.447  22.986
  134    HD3  ARG  15           HD1      ARG  15  21.355  18.922  23.846
  135    HE   ARG  15           HE       ARG  15  22.847  20.187  25.198
  136   HH11  ARG  15          HH11      ARG  15  21.528  22.136  22.517
  137   HH12  ARG  15          HH12      ARG  15  22.090  23.650  23.140
  138   HH21  ARG  15          HH21      ARG  15  23.608  22.248  26.040
  139   HH22  ARG  15          HH22      ARG  15  23.293  23.714  25.175
  140    H    LYS  16           HN       LYS  16  25.489  19.022  20.884
  141    HA   LYS  16           HA       LYS  16  25.278  21.361  19.133
  142    HB2  LYS  16           HB2      LYS  16  25.470  22.322  21.288
  143    HB3  LYS  16           HB1      LYS  16  26.418  20.925  21.910
  144    HG2  LYS  16           HG2      LYS  16  28.420  21.663  20.759
  145    HG3  LYS  16           HG1      LYS  16  27.517  22.918  19.841
  146    HD2  LYS  16           HD2      LYS  16  28.722  24.035  21.626
  147    HD3  LYS  16           HD1      LYS  16  26.977  24.056  22.053
  148    HE2  LYS  16           HE2      LYS  16  27.310  22.155  23.637
  149    HE3  LYS  16           HE1      LYS  16  29.058  22.051  23.165
  150    HZ1  LYS  16           HZ1      LYS  16  27.649  24.247  24.574
  151    HZ2  LYS  16           HZ2      LYS  16  29.186  24.439  23.878
  152    HZ3  LYS  16           HZ3      LYS  16  28.948  23.294  25.110
  153    H    LYS  17           HN       LYS  17  27.172  18.752  20.478
  154    HA   LYS  17           HA       LYS  17  29.289  19.293  18.515
  155    HB2  LYS  17           HB2      LYS  17  29.058  17.761  21.112
  156    HB3  LYS  17           HB1      LYS  17  30.221  17.130  19.887
  157    HG2  LYS  17           HG2      LYS  17  30.267  20.092  20.634
  158    HG3  LYS  17           HG1      LYS  17  31.007  18.885  21.739
  159    HD2  LYS  17           HD2      LYS  17  32.490  18.079  19.926
  160    HD3  LYS  17           HD1      LYS  17  31.694  19.178  18.747
  161    HE2  LYS  17           HE2      LYS  17  33.826  20.188  19.469
  162    HE3  LYS  17           HE1      LYS  17  32.469  21.163  20.172
  163    HZ1  LYS  17           HZ1      LYS  17  34.527  20.211  21.552
  164    HZ2  LYS  17           HZ2      LYS  17  33.418  18.948  21.793
  165    HZ3  LYS  17           HZ3      LYS  17  33.001  20.538  22.221
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  24.488   2.813  36.792
    2    H2   ALA   1           HT2      ALA   1  25.491   1.445  36.713
    3    H3   ALA   1           HT3      ALA   1  25.287   2.429  35.343
    4    HA   ALA   1           HA       ALA   1  26.135   4.144  37.268
    5    HB1  ALA   1           HB1      ALA   1  27.749   1.518  37.342
    6    HB2  ALA   1           HB2      ALA   1  26.807   2.217  38.712
    7    HB3  ALA   1           HB3      ALA   1  28.276   3.068  38.102
    8    H    MET   2           HN       MET   2  27.333   1.709  34.856
    9    HA   MET   2           HA       MET   2  28.557   3.987  33.460
   10    HB2  MET   2           HB2      MET   2  29.747   1.158  33.674
   11    HB3  MET   2           HB1      MET   2  30.378   2.491  32.645
   12    HG2  MET   2           HG2      MET   2  30.242   2.468  35.722
   13    HG3  MET   2           HG1      MET   2  31.709   2.209  34.728
   14    HE1  MET   2           HE1      MET   2  32.675   3.571  33.205
   15    HE2  MET   2           HE2      MET   2  32.810   5.362  33.270
   16    HE3  MET   2           HE3      MET   2  31.481   4.596  32.334
   17    H    ARG   3           HN       ARG   3  28.952   3.522  31.209
   18    HA   ARG   3           HA       ARG   3  27.828   1.532  29.761
   19    HB2  ARG   3           HB2      ARG   3  25.543   2.153  30.466
   20    HB3  ARG   3           HB1      ARG   3  26.007   3.900  30.414
   21    HG2  ARG   3           HG2      ARG   3  26.135   3.923  28.028
   22    HG3  ARG   3           HG1      ARG   3  26.014   2.134  27.916
   23    HD2  ARG   3           HD2      ARG   3  23.746   3.905  29.064
   24    HD3  ARG   3           HD1      ARG   3  23.837   3.377  27.325
   25    HE   ARG   3           HE       ARG   3  24.133   1.048  28.967
   26   HH11  ARG   3          HH11      ARG   3  21.762   3.583  28.168
   27   HH12  ARG   3          HH12      ARG   3  20.373   2.580  28.422
   28   HH21  ARG   3          HH21      ARG   3  22.246  -0.317  29.312
   29   HH22  ARG   3          HH22      ARG   3  20.654   0.324  29.084
   30    H    LEU   4           HN       LEU   4  28.216   4.823  30.563
   31    HA   LEU   4           HA       LEU   4  28.354   6.085  28.254
   32    HB2  LEU   4           HB2      LEU   4  30.005   6.581  30.801
   33    HB3  LEU   4           HB1      LEU   4  29.844   7.779  29.476
   34    HG   LEU   4           HG       LEU   4  28.023   7.135  31.708
   35   HD11  LEU   4          HD11      LEU   4  28.054   9.400  31.821
   36   HD12  LEU   4          HD12      LEU   4  27.309   9.541  30.186
   37   HD13  LEU   4          HD13      LEU   4  29.099   9.440  30.351
   38   HD21  LEU   4          HD21      LEU   4  25.960   7.864  30.097
   39   HD22  LEU   4          HD22      LEU   4  26.372   6.138  30.411
   40   HD23  LEU   4          HD23      LEU   4  26.901   6.928  28.878
   41    H    SER   5           HN       SER   5  29.344   5.174  26.570
   42    HA   SER   5           HA       SER   5  32.039   4.121  26.857
   43    HB2  SER   5           HB2      SER   5  30.305   2.811  25.542
   44    HB3  SER   5           HB1      SER   5  30.274   4.155  24.336
   45    HG   SER   5           HG       SER   5  32.463   3.787  23.970
   46    H    DPP   6           HN       DPP   6  30.740   5.953  23.939
   47    HA   DPP   6           HA       DPP   6  33.300   7.222  23.671
   48    HB2  DPP   6           HB2      DPP   6  31.416   6.704  21.728
   49    HB3  DPP   6           HB3      DPP   6  32.518   8.119  21.576
   50    H    PHE   7           HN       PHE   7  32.004   7.675  26.301
   51    HA   PHE   7           HA       PHE   7  30.438   9.869  26.032
   52    HB2  PHE   7           HB2      PHE   7  31.151   8.502  28.378
   53    HB3  PHE   7           HB1      PHE   7  31.278  10.314  28.589
   54    HD1  PHE   7           HD1      PHE   7  29.102   7.613  27.529
   55    HD2  PHE   7           HD2      PHE   7  29.524  11.724  28.194
   56    HE1  PHE   7           HE1      PHE   7  26.716   7.919  27.307
   57    HE2  PHE   7           HE2      PHE   7  27.177  12.028  27.939
   58    HZ   PHE   7           HZ       PHE   7  25.845  10.114  27.563
   59    H    PHE   8           HN       PHE   8  30.234  11.537  26.471
   60    HA   PHE   8           HA       PHE   8  30.355  13.482  26.649
   61    HB2  PHE   8           HB2      PHE   8  33.163  12.962  27.694
   62    HB3  PHE   8           HB1      PHE   8  32.751  14.678  27.194
   63    HD1  PHE   8           HD1      PHE   8  31.911  11.905  29.378
   64    HD2  PHE   8           HD2      PHE   8  30.895  15.696  27.870
   65    HE1  PHE   8           HE1      PHE   8  29.903  11.866  30.717
   66    HE2  PHE   8           HE2      PHE   8  28.932  15.752  29.192
   67    HZ   PHE   8           HZ       PHE   8  28.407  13.832  30.667
   68    H    ARG   9           HN       ARG   9  30.317  15.008  25.813
   69    HA   ARG   9           HA       ARG   9  29.946  16.204  24.280
   70    HB2  ARG   9           HB2      ARG   9  32.672  15.768  23.023
   71    HB3  ARG   9           HB1      ARG   9  31.644  17.235  22.869
   72    HG2  ARG   9           HG2      ARG   9  32.614  18.151  24.700
   73    HG3  ARG   9           HG1      ARG   9  32.060  16.763  25.711
   74    HD2  ARG   9           HD2      ARG   9  34.708  16.961  24.113
   75    HD3  ARG   9           HD1      ARG   9  34.491  16.858  25.923
   76    HE   ARG   9           HE       ARG   9  33.129  14.625  24.694
   77   HH11  ARG   9          HH11      ARG   9  36.407  15.972  25.266
   78   HH12  ARG   9          HH12      ARG   9  37.204  14.435  25.301
   79   HH21  ARG   9          HH21      ARG   9  34.236  12.539  24.745
   80   HH22  ARG   9          HH22      ARG   9  35.948  12.448  25.000
   81    H    GLN  10           HN       GLN  10  28.666  14.063  24.006
   82    HA   GLN  10           HA       GLN  10  28.471  13.792  21.276
   83    HB2  GLN  10           HB2      GLN  10  30.486  12.561  21.355
   84    HB3  GLN  10           HB1      GLN  10  30.157  12.136  23.076
   85    HG2  GLN  10           HG2      GLN  10  28.535  10.399  22.350
   86    HG3  GLN  10           HG1      GLN  10  28.778  10.825  20.619
   87   HE21  GLN  10          HE21      GLN  10  29.647   8.326  22.629
   88    H    PHE  11           HN       PHE  11  27.282  13.719  24.331
   89    HA   PHE  11           HA       PHE  11  25.035  12.049  23.541
   90    HB2  PHE  11           HB2      PHE  11  26.460  12.291  26.156
   91    HB3  PHE  11           HB1      PHE  11  25.043  11.186  25.838
   92    HD1  PHE  11           HD1      PHE  11  28.401  12.183  24.898
   93    HD2  PHE  11           HD2      PHE  11  25.476   9.109  25.105
   94    HE1  PHE  11           HE1      PHE  11  30.052  10.527  24.343
   95    HE2  PHE  11           HE2      PHE  11  27.145   7.423  24.589
   96    HZ   PHE  11           HZ       PHE  11  29.467   8.109  24.184
   97    H    ILE  12           HN       ILE  12  26.637  14.217  25.491
   98    HA   ILE  12           HA       ILE  12  24.423  15.202  26.833
   99    HB   ILE  12           HB       ILE  12  27.214  16.217  26.837
  100   HG12  ILE  12          HG12      ILE  12  27.443  14.305  28.657
  101   HG13  ILE  12          HG11      ILE  12  26.346  13.533  27.509
  102   HG21  ILE  12          HG21      ILE  12  26.775  16.658  29.230
  103   HG22  ILE  12          HG22      ILE  12  25.249  15.696  29.182
  104   HG23  ILE  12          HG23      ILE  12  25.351  17.271  28.305
  105   HD11  ILE  12          HD11      ILE  12  28.401  12.971  26.560
  106   HD12  ILE  12          HD12      ILE  12  29.099  14.564  27.003
  107   HD13  ILE  12          HD13      ILE  12  27.972  14.465  25.640
  108    H    LEU  13           HN       LEU  13  26.663  15.487  24.566
  109    HA   LEU  13           HA       LEU  13  26.340  18.274  24.094
  110    HB2  LEU  13           HB2      LEU  13  28.156  16.001  24.503
  111    HB3  LEU  13           HB1      LEU  13  28.691  17.193  23.183
  112    HG   LEU  13           HG       LEU  13  29.387  18.743  24.737
  113   HD11  LEU  13          HD11      LEU  13  27.935  19.403  26.766
  114   HD12  LEU  13          HD12      LEU  13  26.701  18.238  26.153
  115   HD13  LEU  13          HD13      LEU  13  27.174  19.656  25.149
  116   HD21  LEU  13          HD21      LEU  13  29.263  16.137  26.026
  117   HD22  LEU  13          HD22      LEU  13  28.987  17.408  27.271
  118   HD23  LEU  13          HD23      LEU  13  30.476  17.444  26.248
  119    H    GLN  14           HN       GLN  14  25.634  15.279  22.975
  120    HA   GLN  14           HA       GLN  14  26.363  15.042  20.390
  121    HB2  GLN  14           HB2      GLN  14  23.923  14.069  20.166
  122    HB3  GLN  14           HB1      GLN  14  25.080  13.290  21.341
  123    HG2  GLN  14           HG2      GLN  14  24.217  14.700  23.195
  124    HG3  GLN  14           HG1      GLN  14  23.101  15.549  22.065
  125   HE21  GLN  14          HE21      GLN  14  23.859  12.013  21.902
  126   HE22  GLN  14          HE22      GLN  14  22.260  11.469  22.281
  127    H    ARG  15           HN       ARG  15  23.968  17.221  21.738
  128    HA   ARG  15           HA       ARG  15  22.791  17.705  19.210
  129    HB2  ARG  15           HB2      ARG  15  21.296  19.205  20.423
  130    HB3  ARG  15           HB1      ARG  15  21.517  17.685  21.368
  131    HG2  ARG  15           HG2      ARG  15  23.528  18.976  22.509
  132    HG3  ARG  15           HG1      ARG  15  22.710  20.448  21.879
  133    HD2  ARG  15           HD2      ARG  15  21.274  18.331  23.626
  134    HD3  ARG  15           HD1      ARG  15  22.030  19.853  24.274
  135    HE   ARG  15           HE       ARG  15  20.299  20.595  22.120
  136   HH11  ARG  15          HH11      ARG  15  20.190  19.110  25.355
  137   HH12  ARG  15          HH12      ARG  15  18.606  19.695  25.740
  138   HH21  ARG  15          HH21      ARG  15  18.143  21.391  22.642
  139   HH22  ARG  15          HH22      ARG  15  17.422  21.013  24.170
  140    H    LYS  16           HN       LYS  16  25.482  18.980  20.985
  141    HA   LYS  16           HA       LYS  16  25.263  21.527  19.525
  142    HB2  LYS  16           HB2      LYS  16  27.135  20.745  21.837
  143    HB3  LYS  16           HB1      LYS  16  26.983  22.388  21.106
  144    HG2  LYS  16           HG2      LYS  16  24.581  22.456  21.865
  145    HG3  LYS  16           HG1      LYS  16  24.825  20.849  22.635
  146    HD2  LYS  16           HD2      LYS  16  26.583  21.800  24.118
  147    HD3  LYS  16           HD1      LYS  16  26.408  23.402  23.326
  148    HE2  LYS  16           HE2      LYS  16  25.174  23.382  25.482
  149    HE3  LYS  16           HE1      LYS  16  23.989  23.487  24.115
  150    HZ1  LYS  16           HZ1      LYS  16  24.753  20.840  25.128
  151    HZ2  LYS  16           HZ2      LYS  16  23.288  21.386  24.468
  152    HZ3  LYS  16           HZ3      LYS  16  23.709  21.800  26.059
  153    H    LYS  17           HN       LYS  17  27.110  18.774  20.463
  154    HA   LYS  17           HA       LYS  17  29.141  19.408  18.422
  155    HB2  LYS  17           HB2      LYS  17  29.045  17.715  20.930
  156    HB3  LYS  17           HB1      LYS  17  30.129  17.162  19.601
  157    HG2  LYS  17           HG2      LYS  17  30.202  19.987  20.829
  158    HG3  LYS  17           HG1      LYS  17  31.238  18.627  21.375
  159    HD2  LYS  17           HD2      LYS  17  31.176  19.676  18.478
  160    HD3  LYS  17           HD1      LYS  17  32.324  20.259  19.728
  161    HE2  LYS  17           HE2      LYS  17  33.186  17.885  20.002
  162    HE3  LYS  17           HE1      LYS  17  32.086  17.367  18.657
  163    HZ1  LYS  17           HZ1      LYS  17  34.617  18.591  18.531
  164    HZ2  LYS  17           HZ2      LYS  17  33.478  19.607  17.784
  165    HZ3  LYS  17           HZ3      LYS  17  33.641  17.994  17.276
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  27.185  -0.709  36.079
    2    H2   ALA   1           HT2      ALA   1  28.809  -0.215  36.159
    3    H3   ALA   1           HT3      ALA   1  27.889   0.110  34.768
    4    HA   ALA   1           HA       ALA   1  26.416   1.227  36.717
    5    HB1  ALA   1           HB1      ALA   1  28.040   2.667  38.020
    6    HB2  ALA   1           HB2      ALA   1  29.404   1.764  37.256
    7    HB3  ALA   1           HB3      ALA   1  28.270   0.912  38.371
    8    H    MET   2           HN       MET   2  29.409   1.847  34.752
    9    HA   MET   2           HA       MET   2  28.079   4.290  33.770
   10    HB2  MET   2           HB2      MET   2  30.968   3.312  33.503
   11    HB3  MET   2           HB1      MET   2  30.296   4.760  32.684
   12    HG2  MET   2           HG2      MET   2  29.851   5.847  34.854
   13    HG3  MET   2           HG1      MET   2  30.358   4.375  35.739
   14    HE1  MET   2           HE1      MET   2  32.822   7.552  33.514
   15    HE2  MET   2           HE2      MET   2  31.051   7.245  33.530
   16    HE3  MET   2           HE3      MET   2  32.127   6.241  32.498
   17    H    ARG   3           HN       ARG   3  26.802   3.801  32.206
   18    HA   ARG   3           HA       ARG   3  27.437   1.811  30.341
   19    HB2  ARG   3           HB2      ARG   3  25.076   2.499  30.743
   20    HB3  ARG   3           HB1      ARG   3  25.546   4.203  30.373
   21    HG2  ARG   3           HG2      ARG   3  25.999   3.676  28.056
   22    HG3  ARG   3           HG1      ARG   3  25.757   1.913  28.340
   23    HD2  ARG   3           HD2      ARG   3  23.328   2.319  28.878
   24    HD3  ARG   3           HD1      ARG   3  23.568   4.099  28.598
   25    HE   ARG   3           HE       ARG   3  23.465   1.971  26.525
   26   HH11  ARG   3          HH11      ARG   3  24.344   5.312  27.414
   27   HH12  ARG   3          HH12      ARG   3  24.325   5.909  25.788
   28   HH21  ARG   3          HH21      ARG   3  23.442   2.788  24.321
   29   HH22  ARG   3          HH22      ARG   3  23.805   4.450  24.002
   30    H    LEU   4           HN       LEU   4  27.520   5.204  30.741
   31    HA   LEU   4           HA       LEU   4  27.994   6.315  28.501
   32    HB2  LEU   4           HB2      LEU   4  29.588   6.845  31.081
   33    HB3  LEU   4           HB1      LEU   4  29.496   8.001  29.711
   34    HG   LEU   4           HG       LEU   4  27.608   7.495  31.920
   35   HD11  LEU   4          HD11      LEU   4  26.989   9.858  30.297
   36   HD12  LEU   4          HD12      LEU   4  28.774   9.715  30.493
   37   HD13  LEU   4          HD13      LEU   4  27.708   9.760  31.949
   38   HD21  LEU   4          HD21      LEU   4  26.541   7.209  29.077
   39   HD22  LEU   4          HD22      LEU   4  25.601   8.214  30.237
   40   HD23  LEU   4          HD23      LEU   4  25.959   6.491  30.628
   41    H    SER   5           HN       SER   5  29.010   5.334  26.874
   42    HA   SER   5           HA       SER   5  31.661   4.204  27.299
   43    HB2  SER   5           HB2      SER   5  29.803   4.126  24.850
   44    HB3  SER   5           HB1      SER   5  31.439   3.355  24.910
   45    HG   SER   5           HG       SER   5  29.606   2.828  26.967
   46    H    DPP   6           HN       DPP   6  30.455   5.960  24.294
   47    HA   DPP   6           HA       DPP   6  33.066   7.127  24.013
   48    HB2  DPP   6           HB2      DPP   6  31.196   6.581  22.061
   49    HB3  DPP   6           HB3      DPP   6  32.354   7.946  21.864
   50    H    PHE   7           HN       PHE   7  31.716   7.721  26.593
   51    HA   PHE   7           HA       PHE   7  30.233   9.951  26.203
   52    HB2  PHE   7           HB2      PHE   7  30.850   8.655  28.616
   53    HB3  PHE   7           HB1      PHE   7  31.031  10.469  28.761
   54    HD1  PHE   7           HD1      PHE   7  28.792   7.798  27.765
   55    HD2  PHE   7           HD2      PHE   7  29.332  11.918  28.261
   56    HE1  PHE   7           HE1      PHE   7  26.422   8.167  27.477
   57    HE2  PHE   7           HE2      PHE   7  27.002  12.283  27.941
   58    HZ   PHE   7           HZ       PHE   7  25.618  10.398  27.618
   59    H    PHE   8           HN       PHE   8  30.075  11.642  26.569
   60    HA   PHE   8           HA       PHE   8  30.256  13.588  26.677
   61    HB2  PHE   8           HB2      PHE   8  33.021  13.020  27.807
   62    HB3  PHE   8           HB1      PHE   8  32.675  14.727  27.234
   63    HD1  PHE   8           HD1      PHE   8  31.700  12.066  29.500
   64    HD2  PHE   8           HD2      PHE   8  30.837  15.827  27.828
   65    HE1  PHE   8           HE1      PHE   8  29.661  12.138  30.791
   66    HE2  PHE   8           HE2      PHE   8  28.848  15.993  29.100
   67    HZ   PHE   8           HZ       PHE   8  28.229  14.147  30.632
   68    H    ARG   9           HN       ARG   9  30.288  15.083  25.784
   69    HA   ARG   9           HA       ARG   9  29.989  16.229  24.196
   70    HB2  ARG   9           HB2      ARG   9  32.728  15.658  23.025
   71    HB3  ARG   9           HB1      ARG   9  31.756  17.152  22.794
   72    HG2  ARG   9           HG2      ARG   9  32.712  18.100  24.617
   73    HG3  ARG   9           HG1      ARG   9  32.093  16.765  25.662
   74    HD2  ARG   9           HD2      ARG   9  34.778  16.821  24.114
   75    HD3  ARG   9           HD1      ARG   9  34.523  16.797  25.921
   76    HE   ARG   9           HE       ARG   9  33.114  14.562  24.749
   77   HH11  ARG   9          HH11      ARG   9  36.422  15.824  25.342
   78   HH12  ARG   9          HH12      ARG   9  37.166  14.264  25.457
   79   HH21  ARG   9          HH21      ARG   9  34.148  12.444  24.909
   80   HH22  ARG   9          HH22      ARG   9  35.851  12.309  25.207
   81    H    GLN  10           HN       GLN  10  28.658  14.111  23.980
   82    HA   GLN  10           HA       GLN  10  28.514  13.739  21.257
   83    HB2  GLN  10           HB2      GLN  10  30.491  12.454  21.439
   84    HB3  GLN  10           HB1      GLN  10  30.101  12.104  23.162
   85    HG2  GLN  10           HG2      GLN  10  28.442  10.395  22.456
   86    HG3  GLN  10           HG1      GLN  10  28.746  10.748  20.717
   87   HE21  GLN  10          HE21      GLN  10  29.472   8.301  22.843
   88    H    PHE  11           HN       PHE  11  27.245  13.839  24.273
   89    HA   PHE  11           HA       PHE  11  24.965  12.208  23.495
   90    HB2  PHE  11           HB2      PHE  11  26.330  12.505  26.139
   91    HB3  PHE  11           HB1      PHE  11  24.887  11.433  25.824
   92    HD1  PHE  11           HD1      PHE  11  28.301  12.287  24.933
   93    HD2  PHE  11           HD2      PHE  11  25.277   9.313  25.193
   94    HE1  PHE  11           HE1      PHE  11  29.909  10.561  24.475
   95    HE2  PHE  11           HE2      PHE  11  26.903   7.559  24.782
   96    HZ   PHE  11           HZ       PHE  11  29.254   8.157  24.412
   97    H    ILE  12           HN       ILE  12  26.594  14.393  25.408
   98    HA   ILE  12           HA       ILE  12  24.384  15.500  26.655
   99    HB   ILE  12           HB       ILE  12  27.204  16.424  26.691
  100   HG12  ILE  12          HG12      ILE  12  27.326  14.576  28.587
  101   HG13  ILE  12          HG11      ILE  12  26.231  13.798  27.441
  102   HG21  ILE  12          HG21      ILE  12  25.201  16.041  29.027
  103   HG22  ILE  12          HG22      ILE  12  25.304  17.570  28.072
  104   HG23  ILE  12          HG23      ILE  12  26.724  17.007  29.033
  105   HD11  ILE  12          HD11      ILE  12  29.027  14.715  26.964
  106   HD12  ILE  12          HD12      ILE  12  27.929  14.605  25.578
  107   HD13  ILE  12          HD13      ILE  12  28.290  13.133  26.568
  108    H    LEU  13           HN       LEU  13  26.677  15.629  24.431
  109    HA   LEU  13           HA       LEU  13  26.454  18.409  23.864
  110    HB2  LEU  13           HB2      LEU  13  28.187  16.091  24.377
  111    HB3  LEU  13           HB1      LEU  13  28.786  17.220  23.029
  112    HG   LEU  13           HG       LEU  13  29.512  18.790  24.546
  113   HD11  LEU  13          HD11      LEU  13  26.779  18.440  25.920
  114   HD12  LEU  13          HD12      LEU  13  27.325  19.801  24.873
  115   HD13  LEU  13          HD13      LEU  13  28.044  19.581  26.515
  116   HD21  LEU  13          HD21      LEU  13  29.006  17.571  27.117
  117   HD22  LEU  13          HD22      LEU  13  30.514  17.496  26.122
  118   HD23  LEU  13          HD23      LEU  13  29.244  16.240  25.926
  119    H    GLN  14           HN       GLN  14  25.746  15.363  22.815
  120    HA   GLN  14           HA       GLN  14  26.491  15.068  20.246
  121    HB2  GLN  14           HB2      GLN  14  24.068  14.085  20.005
  122    HB3  GLN  14           HB1      GLN  14  25.185  13.347  21.241
  123    HG2  GLN  14           HG2      GLN  14  24.276  14.874  23.004
  124    HG3  GLN  14           HG1      GLN  14  23.140  15.593  21.797
  125   HE21  GLN  14          HE21      GLN  14  21.186  14.859  22.735
  126   HE22  GLN  14          HE22      GLN  14  20.728  13.191  22.787
  127    H    ARG  15           HN       ARG  15  24.058  17.267  21.497
  128    HA   ARG  15           HA       ARG  15  22.943  17.688  18.926
  129    HB2  ARG  15           HB2      ARG  15  21.372  19.148  20.066
  130    HB3  ARG  15           HB1      ARG  15  21.626  17.671  21.071
  131    HG2  ARG  15           HG2      ARG  15  23.547  19.055  22.227
  132    HG3  ARG  15           HG1      ARG  15  22.744  20.486  21.493
  133    HD2  ARG  15           HD2      ARG  15  21.822  20.261  23.746
  134    HD3  ARG  15           HD1      ARG  15  20.529  19.656  22.617
  135    HE   ARG  15           HE       ARG  15  22.299  17.493  23.472
  136   HH11  ARG  15          HH11      ARG  15  19.602  19.608  24.439
  137   HH12  ARG  15          HH12      ARG  15  18.927  18.489  25.575
  138   HH21  ARG  15          HH21      ARG  15  21.389  15.972  25.023
  139   HH22  ARG  15          HH22      ARG  15  19.962  16.385  25.912
  140    H    LYS  16           HN       LYS  16  25.576  19.029  20.735
  141    HA   LYS  16           HA       LYS  16  25.335  21.554  19.236
  142    HB2  LYS  16           HB2      LYS  16  27.190  20.851  21.587
  143    HB3  LYS  16           HB1      LYS  16  26.998  22.480  20.833
  144    HG2  LYS  16           HG2      LYS  16  24.594  22.497  21.566
  145    HG3  LYS  16           HG1      LYS  16  24.855  20.896  22.341
  146    HD2  LYS  16           HD2      LYS  16  26.590  21.893  23.838
  147    HD3  LYS  16           HD1      LYS  16  26.346  23.496  23.062
  148    HE2  LYS  16           HE2      LYS  16  23.963  23.528  23.859
  149    HE3  LYS  16           HE1      LYS  16  24.204  21.907  24.635
  150    HZ1  LYS  16           HZ1      LYS  16  25.139  22.870  26.347
  151    HZ2  LYS  16           HZ2      LYS  16  24.708  24.384  25.709
  152    HZ3  LYS  16           HZ3      LYS  16  26.245  23.733  25.391
  153    H    LYS  17           HN       LYS  17  27.188  18.832  20.231
  154    HA   LYS  17           HA       LYS  17  29.290  19.481  18.274
  155    HB2  LYS  17           HB2      LYS  17  29.051  17.522  20.605
  156    HB3  LYS  17           HB1      LYS  17  30.335  17.309  19.357
  157    HG2  LYS  17           HG2      LYS  17  29.927  19.887  20.995
  158    HG3  LYS  17           HG1      LYS  17  31.052  18.567  21.462
  159    HD2  LYS  17           HD2      LYS  17  32.262  18.859  19.265
  160    HD3  LYS  17           HD1      LYS  17  31.167  20.228  18.868
  161    HE2  LYS  17           HE2      LYS  17  31.992  21.481  20.886
  162    HE3  LYS  17           HE1      LYS  17  33.094  20.098  21.287
  163    HZ1  LYS  17           HZ1      LYS  17  34.489  20.670  19.680
  164    HZ2  LYS  17           HZ2      LYS  17  33.749  22.194  19.781
  165    HZ3  LYS  17           HZ3      LYS  17  33.277  21.100  18.573
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  27.528   0.207  35.168
    2    H2   ALA   1           HT2      ALA   1  26.849  -0.446  36.581
    3    H3   ALA   1           HT3      ALA   1  28.510  -0.092  36.521
    4    HA   ALA   1           HA       ALA   1  26.283   1.595  37.096
    5    HB1  ALA   1           HB1      ALA   1  28.221   1.213  38.656
    6    HB2  ALA   1           HB2      ALA   1  28.076   2.959  38.223
    7    HB3  ALA   1           HB3      ALA   1  29.330   1.932  37.428
    8    H    MET   2           HN       MET   2  29.174   1.762  34.912
    9    HA   MET   2           HA       MET   2  27.978   4.213  33.775
   10    HB2  MET   2           HB2      MET   2  30.832   3.109  33.595
   11    HB3  MET   2           HB1      MET   2  30.213   4.506  32.651
   12    HG2  MET   2           HG2      MET   2  29.782   5.773  34.740
   13    HG3  MET   2           HG1      MET   2  30.296   4.368  35.727
   14    HE1  MET   2           HE1      MET   2  32.029   5.981  32.317
   15    HE2  MET   2           HE2      MET   2  32.718   7.363  33.235
   16    HE3  MET   2           HE3      MET   2  30.951   7.041  33.291
   17    H    ARG   3           HN       ARG   3  27.014   4.047  32.001
   18    HA   ARG   3           HA       ARG   3  27.497   1.756  30.339
   19    HB2  ARG   3           HB2      ARG   3  25.123   2.403  30.662
   20    HB3  ARG   3           HB1      ARG   3  25.569   4.123  30.334
   21    HG2  ARG   3           HG2      ARG   3  26.031   3.681  28.014
   22    HG3  ARG   3           HG1      ARG   3  25.896   1.900  28.243
   23    HD2  ARG   3           HD2      ARG   3  23.536   3.852  28.714
   24    HD3  ARG   3           HD1      ARG   3  23.833   2.973  27.148
   25    HE   ARG   3           HE       ARG   3  23.876   1.027  29.240
   26   HH11  ARG   3          HH11      ARG   3  21.668   3.373  27.723
   27   HH12  ARG   3          HH12      ARG   3  20.234   2.450  28.018
   28   HH21  ARG   3          HH21      ARG   3  21.925  -0.233  29.642
   29   HH22  ARG   3          HH22      ARG   3  20.383   0.364  29.129
   30    H    LEU   4           HN       LEU   4  27.573   5.145  30.690
   31    HA   LEU   4           HA       LEU   4  28.043   6.252  28.453
   32    HB2  LEU   4           HB2      LEU   4  29.623   6.762  31.044
   33    HB3  LEU   4           HB1      LEU   4  29.556   7.927  29.676
   34    HG   LEU   4           HG       LEU   4  27.652   7.441  31.871
   35   HD11  LEU   4          HD11      LEU   4  28.824   9.644  30.432
   36   HD12  LEU   4          HD12      LEU   4  27.744   9.706  31.875
   37   HD13  LEU   4          HD13      LEU   4  27.041   9.787  30.217
   38   HD21  LEU   4          HD21      LEU   4  26.584   7.138  29.027
   39   HD22  LEU   4          HD22      LEU   4  25.643   8.138  30.190
   40   HD23  LEU   4          HD23      LEU   4  26.011   6.417  30.580
   41    H    SER   5           HN       SER   5  29.061   5.304  26.815
   42    HA   SER   5           HA       SER   5  31.695   4.137  27.214
   43    HB2  SER   5           HB2      SER   5  31.409   3.522  24.674
   44    HB3  SER   5           HB1      SER   5  30.343   2.684  25.871
   45    HG   SER   5           HG       SER   5  28.895   3.404  24.546
   46    H    DPP   6           HN       DPP   6  30.583   5.904  24.204
   47    HA   DPP   6           HA       DPP   6  33.181   7.107  23.997
   48    HB2  DPP   6           HB2      DPP   6  31.361   6.568  22.002
   49    HB3  DPP   6           HB3      DPP   6  32.498   7.955  21.846
   50    H    PHE   7           HN       PHE   7  31.797   7.684  26.557
   51    HA   PHE   7           HA       PHE   7  30.298   9.901  26.164
   52    HB2  PHE   7           HB2      PHE   7  30.907   8.603  28.577
   53    HB3  PHE   7           HB1      PHE   7  31.069  10.418  28.728
   54    HD1  PHE   7           HD1      PHE   7  28.867   7.727  27.717
   55    HD2  PHE   7           HD2      PHE   7  29.361  11.853  28.211
   56    HE1  PHE   7           HE1      PHE   7  26.494   8.071  27.412
   57    HE2  PHE   7           HE2      PHE   7  27.030  12.195  27.873
   58    HZ   PHE   7           HZ       PHE   7  25.665  10.296  27.545
   59    H    PHE   8           HN       PHE   8  30.119  11.588  26.526
   60    HA   PHE   8           HA       PHE   8  30.278  13.536  26.641
   61    HB2  PHE   8           HB2      PHE   8  33.040  12.994  27.798
   62    HB3  PHE   8           HB1      PHE   8  32.679  14.700  27.226
   63    HD1  PHE   8           HD1      PHE   8  31.713  12.023  29.476
   64    HD2  PHE   8           HD2      PHE   8  30.822  15.775  27.803
   65    HE1  PHE   8           HE1      PHE   8  29.662  12.069  30.750
   66    HE2  PHE   8           HE2      PHE   8  28.820  15.916  29.056
   67    HZ   PHE   8           HZ       PHE   8  28.209  14.062  30.581
   68    H    ARG   9           HN       ARG   9  30.297  15.026  25.748
   69    HA   ARG   9           HA       ARG   9  30.010  16.177  24.161
   70    HB2  ARG   9           HB2      ARG   9  32.761  15.623  23.014
   71    HB3  ARG   9           HB1      ARG   9  31.781  17.108  22.770
   72    HG2  ARG   9           HG2      ARG   9  32.705  18.068  24.604
   73    HG3  ARG   9           HG1      ARG   9  32.099  16.722  25.642
   74    HD2  ARG   9           HD2      ARG   9  34.791  16.814  24.110
   75    HD3  ARG   9           HD1      ARG   9  34.526  16.786  25.916
   76    HE   ARG   9           HE       ARG   9  33.150  14.536  24.730
   77   HH11  ARG   9          HH11      ARG   9  36.437  15.832  25.365
   78   HH12  ARG   9          HH12      ARG   9  37.196  14.281  25.483
   79   HH21  ARG   9          HH21      ARG   9  34.205  12.431  24.893
   80   HH22  ARG   9          HH22      ARG   9  35.905  12.312  25.209
   81    H    GLN  10           HN       GLN  10  28.690  14.050  23.925
   82    HA   GLN  10           HA       GLN  10  28.574  13.690  21.201
   83    HB2  GLN  10           HB2      GLN  10  30.559  12.421  21.382
   84    HB3  GLN  10           HB1      GLN  10  30.173  12.068  23.107
   85    HG2  GLN  10           HG2      GLN  10  28.535  10.336  22.396
   86    HG3  GLN  10           HG1      GLN  10  28.843  10.689  20.659
   87   HE21  GLN  10          HE21      GLN  10  29.596   8.254  22.789
   88    H    PHE  11           HN       PHE  11  27.289  13.753  24.210
   89    HA   PHE  11           HA       PHE  11  25.040  12.089  23.417
   90    HB2  PHE  11           HB2      PHE  11  26.381  12.419  26.065
   91    HB3  PHE  11           HB1      PHE  11  24.955  11.327  25.747
   92    HD1  PHE  11           HD1      PHE  11  28.361  12.225  24.866
   93    HD2  PHE  11           HD2      PHE  11  25.379   9.209  25.127
   94    HE1  PHE  11           HE1      PHE  11  29.995  10.522  24.420
   95    HE2  PHE  11           HE2      PHE  11  27.031   7.477  24.727
   96    HZ   PHE  11           HZ       PHE  11  29.374   8.107  24.361
   97    H    ILE  12           HN       ILE  12  26.619  14.312  25.328
   98    HA   ILE  12           HA       ILE  12  24.381  15.384  26.558
   99    HB   ILE  12           HB       ILE  12  27.192  16.338  26.634
  100   HG12  ILE  12          HG12      ILE  12  27.312  14.483  28.522
  101   HG13  ILE  12          HG11      ILE  12  26.241  13.697  27.361
  102   HG21  ILE  12          HG21      ILE  12  25.107  15.947  28.902
  103   HG22  ILE  12          HG22      ILE  12  25.328  17.494  28.000
  104   HG23  ILE  12          HG23      ILE  12  26.671  16.838  29.011
  105   HD11  ILE  12          HD11      ILE  12  27.951  14.532  25.523
  106   HD12  ILE  12          HD12      ILE  12  28.314  13.060  26.506
  107   HD13  ILE  12          HD13      ILE  12  29.031  14.647  26.926
  108    H    LEU  13           HN       LEU  13  26.711  15.568  24.367
  109    HA   LEU  13           HA       LEU  13  26.474  18.358  23.856
  110    HB2  LEU  13           HB2      LEU  13  28.213  16.040  24.343
  111    HB3  LEU  13           HB1      LEU  13  28.823  17.197  23.022
  112    HG   LEU  13           HG       LEU  13  29.513  18.751  24.575
  113   HD11  LEU  13          HD11      LEU  13  26.771  18.335  25.909
  114   HD12  LEU  13          HD12      LEU  13  27.319  19.732  24.915
  115   HD13  LEU  13          HD13      LEU  13  28.016  19.467  26.558
  116   HD21  LEU  13          HD21      LEU  13  29.262  16.167  25.893
  117   HD22  LEU  13          HD22      LEU  13  29.009  17.470  27.112
  118   HD23  LEU  13          HD23      LEU  13  30.519  17.429  26.122
  119    H    GLN  14           HN       GLN  14  25.760  15.361  22.713
  120    HA   GLN  14           HA       GLN  14  26.584  15.212  20.126
  121    HB2  GLN  14           HB2      GLN  14  24.223  14.101  19.826
  122    HB3  GLN  14           HB1      GLN  14  25.389  13.364  21.019
  123    HG2  GLN  14           HG2      GLN  14  24.393  14.680  22.869
  124    HG3  GLN  14           HG1      GLN  14  23.257  15.479  21.725
  125   HE21  GLN  14          HE21      GLN  14  24.225  12.010  21.456
  126   HE22  GLN  14          HE22      GLN  14  22.659  11.357  21.797
  127    H    ARG  15           HN       ARG  15  24.111  17.263  21.518
  128    HA   ARG  15           HA       ARG  15  22.936  17.745  18.978
  129    HB2  ARG  15           HB2      ARG  15  21.325  19.109  20.189
  130    HB3  ARG  15           HB1      ARG  15  21.617  17.584  21.106
  131    HG2  ARG  15           HG2      ARG  15  23.343  18.805  22.504
  132    HG3  ARG  15           HG1      ARG  15  22.894  20.325  21.663
  133    HD2  ARG  15           HD2      ARG  15  20.521  20.109  22.507
  134    HD3  ARG  15           HD1      ARG  15  20.992  18.588  23.389
  135    HE   ARG  15           HE       ARG  15  22.820  20.677  24.137
  136   HH11  ARG  15          HH11      ARG  15  19.392  19.742  24.397
  137   HH12  ARG  15          HH12      ARG  15  19.138  20.510  25.927
  138   HH21  ARG  15          HH21      ARG  15  22.477  21.719  26.222
  139   HH22  ARG  15          HH22      ARG  15  20.923  21.654  26.983
  140    H    LYS  16           HN       LYS  16  25.522  19.110  20.852
  141    HA   LYS  16           HA       LYS  16  25.153  21.698  19.497
  142    HB2  LYS  16           HB2      LYS  16  27.131  20.939  21.727
  143    HB3  LYS  16           HB1      LYS  16  26.809  22.601  21.101
  144    HG2  LYS  16           HG2      LYS  16  24.435  22.401  21.928
  145    HG3  LYS  16           HG1      LYS  16  24.852  20.787  22.605
  146    HD2  LYS  16           HD2      LYS  16  26.639  21.880  24.023
  147    HD3  LYS  16           HD1      LYS  16  26.122  23.484  23.399
  148    HE2  LYS  16           HE2      LYS  16  24.313  21.524  24.972
  149    HE3  LYS  16           HE1      LYS  16  25.124  22.994  25.655
  150    HZ1  LYS  16           HZ1      LYS  16  22.744  22.760  24.095
  151    HZ2  LYS  16           HZ2      LYS  16  23.830  23.878  23.419
  152    HZ3  LYS  16           HZ3      LYS  16  23.325  24.055  25.030
  153    H    LYS  17           HN       LYS  17  27.063  18.953  20.220
  154    HA   LYS  17           HA       LYS  17  28.961  19.712  18.076
  155    HB2  LYS  17           HB2      LYS  17  29.274  18.053  20.625
  156    HB3  LYS  17           HB1      LYS  17  30.476  17.964  19.281
  157    HG2  LYS  17           HG2      LYS  17  30.873  20.435  19.491
  158    HG3  LYS  17           HG1      LYS  17  29.689  20.506  20.841
  159    HD2  LYS  17           HD2      LYS  17  31.109  18.952  22.179
  160    HD3  LYS  17           HD1      LYS  17  32.288  18.848  20.825
  161    HE2  LYS  17           HE2      LYS  17  32.747  21.311  21.031
  162    HE3  LYS  17           HE1      LYS  17  31.552  21.417  22.391
  163    HZ1  LYS  17           HZ1      LYS  17  33.031  20.611  23.782
  164    HZ2  LYS  17           HZ2      LYS  17  34.206  20.859  22.581
  165    HZ3  LYS  17           HZ3      LYS  17  33.483  19.334  22.759
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  25.542   2.306  35.650
    2    H2   ALA   1           HT2      ALA   1  24.850   2.595  37.175
    3    H3   ALA   1           HT3      ALA   1  25.835   1.233  36.936
    4    HA   ALA   1           HA       ALA   1  26.536   3.898  37.600
    5    HB1  ALA   1           HB1      ALA   1  28.710   2.759  38.248
    6    HB2  ALA   1           HB2      ALA   1  28.114   1.254  37.450
    7    HB3  ALA   1           HB3      ALA   1  27.268   1.899  38.906
    8    H    MET   2           HN       MET   2  27.578   1.570  35.013
    9    HA   MET   2           HA       MET   2  28.644   3.909  33.605
   10    HB2  MET   2           HB2      MET   2  30.041   1.171  33.787
   11    HB3  MET   2           HB1      MET   2  30.528   2.528  32.709
   12    HG2  MET   2           HG2      MET   2  30.996   3.955  34.697
   13    HG3  MET   2           HG1      MET   2  30.485   2.628  35.786
   14    HE1  MET   2           HE1      MET   2  34.284   2.927  36.435
   15    HE2  MET   2           HE2      MET   2  32.661   2.694  37.172
   16    HE3  MET   2           HE3      MET   2  32.995   4.153  36.175
   17    H    ARG   3           HN       ARG   3  28.987   3.445  31.328
   18    HA   ARG   3           HA       ARG   3  27.931   1.385  29.939
   19    HB2  ARG   3           HB2      ARG   3  25.647   1.831  30.773
   20    HB3  ARG   3           HB1      ARG   3  25.972   3.609  30.690
   21    HG2  ARG   3           HG2      ARG   3  25.963   3.623  28.302
   22    HG3  ARG   3           HG1      ARG   3  25.968   1.829  28.203
   23    HD2  ARG   3           HD2      ARG   3  23.677   2.697  27.710
   24    HD3  ARG   3           HD1      ARG   3  23.650   1.811  29.299
   25    HE   ARG   3           HE       ARG   3  24.220   4.622  29.734
   26   HH11  ARG   3          HH11      ARG   3  21.656   2.335  28.803
   27   HH12  ARG   3          HH12      ARG   3  20.358   3.291  29.433
   28   HH21  ARG   3          HH21      ARG   3  22.455   5.927  30.593
   29   HH22  ARG   3          HH22      ARG   3  20.820   5.370  30.467
   30    H    LEU   4           HN       LEU   4  28.141   4.694  30.721
   31    HA   LEU   4           HA       LEU   4  28.031   5.982  28.417
   32    HB2  LEU   4           HB2      LEU   4  29.745   6.537  30.904
   33    HB3  LEU   4           HB1      LEU   4  29.605   7.712  29.556
   34    HG   LEU   4           HG       LEU   4  27.792   7.187  31.798
   35   HD11  LEU   4          HD11      LEU   4  27.019   9.453  30.092
   36   HD12  LEU   4          HD12      LEU   4  28.809   9.407  30.285
   37   HD13  LEU   4          HD13      LEU   4  27.746   9.453  31.742
   38   HD21  LEU   4          HD21      LEU   4  26.276   5.950  30.456
   39   HD22  LEU   4          HD22      LEU   4  26.590   6.938  28.976
   40   HD23  LEU   4          HD23      LEU   4  25.648   7.637  30.344
   41    H    SER   5           HN       SER   5  28.947   5.003  26.693
   42    HA   SER   5           HA       SER   5  31.890   4.773  26.677
   43    HB2  SER   5           HB2      SER   5  30.750   2.552  26.253
   44    HB3  SER   5           HB1      SER   5  29.841   3.311  24.887
   45    HG   SER   5           HG       SER   5  31.533   3.163  23.702
   46    H    DPP   6           HN       DPP   6  33.028   5.962  25.119
   47    HA   DPP   6           HA       DPP   6  33.406   7.468  23.524
   48    HB2  DPP   6           HB2      DPP   6  31.038   6.337  22.281
   49    HB3  DPP   6           HB3      DPP   6  32.160   7.523  21.522
   50    H    PHE   7           HN       PHE   7  31.908   7.604  26.336
   51    HA   PHE   7           HA       PHE   7  30.317   9.772  26.044
   52    HB2  PHE   7           HB2      PHE   7  30.932   8.385  28.398
   53    HB3  PHE   7           HB1      PHE   7  31.085  10.194  28.640
   54    HD1  PHE   7           HD1      PHE   7  28.865   7.526  27.617
   55    HD2  PHE   7           HD2      PHE   7  29.373  11.659  28.107
   56    HE1  PHE   7           HE1      PHE   7  26.490   7.874  27.369
   57    HE2  PHE   7           HE2      PHE   7  27.036  12.002  27.815
   58    HZ   PHE   7           HZ       PHE   7  25.667  10.099  27.518
   59    H    PHE   8           HN       PHE   8  30.098  11.460  26.440
   60    HA   PHE   8           HA       PHE   8  30.239  13.407  26.641
   61    HB2  PHE   8           HB2      PHE   8  33.011  12.854  27.771
   62    HB3  PHE   8           HB1      PHE   8  32.631  14.574  27.257
   63    HD1  PHE   8           HD1      PHE   8  31.698  11.812  29.420
   64    HD2  PHE   8           HD2      PHE   8  30.771  15.608  27.874
   65    HE1  PHE   8           HE1      PHE   8  29.649  11.796  30.695
   66    HE2  PHE   8           HE2      PHE   8  28.769  15.690  29.128
   67    HZ   PHE   8           HZ       PHE   8  28.176  13.777  30.590
   68    H    ARG   9           HN       ARG   9  30.236  14.915  25.774
   69    HA   ARG   9           HA       ARG   9  29.943  16.096  24.211
   70    HB2  ARG   9           HB2      ARG   9  32.698  15.584  23.051
   71    HB3  ARG   9           HB1      ARG   9  31.710  17.071  22.846
   72    HG2  ARG   9           HG2      ARG   9  32.626  17.991  24.706
   73    HG3  ARG   9           HG1      ARG   9  32.044  16.608  25.709
   74    HD2  ARG   9           HD2      ARG   9  34.721  16.767  24.154
   75    HD3  ARG   9           HD1      ARG   9  34.477  16.708  25.963
   76    HE   ARG   9           HE       ARG   9  33.115  14.460  24.757
   77   HH11  ARG   9          HH11      ARG   9  36.392  15.788  25.371
   78   HH12  ARG   9          HH12      ARG   9  37.172  14.246  25.465
   79   HH21  ARG   9          HH21      ARG   9  34.197  12.366  24.888
   80   HH22  ARG   9          HH22      ARG   9  35.902  12.264  25.185
   81    H    GLN  10           HN       GLN  10  28.660  13.945  23.948
   82    HA   GLN  10           HA       GLN  10  28.549  13.632  21.217
   83    HB2  GLN  10           HB2      GLN  10  30.535  12.349  21.384
   84    HB3  GLN  10           HB1      GLN  10  30.144  11.980  23.104
   85    HG2  GLN  10           HG2      GLN  10  28.491  10.264  22.370
   86    HG3  GLN  10           HG1      GLN  10  28.806  10.633  20.639
   87   HE21  GLN  10          HE21      GLN  10  29.505   8.201  22.802
   88    H    PHE  11           HN       PHE  11  27.242  13.676  24.208
   89    HA   PHE  11           HA       PHE  11  24.998  12.014  23.396
   90    HB2  PHE  11           HB2      PHE  11  26.328  12.315  26.055
   91    HB3  PHE  11           HB1      PHE  11  24.912  11.218  25.714
   92    HD1  PHE  11           HD1      PHE  11  28.313  12.158  24.852
   93    HD2  PHE  11           HD2      PHE  11  25.365   9.103  25.088
   94    HE1  PHE  11           HE1      PHE  11  29.961  10.490  24.400
   95    HE2  PHE  11           HE2      PHE  11  27.049   7.404  24.676
   96    HZ   PHE  11           HZ       PHE  11  29.370   8.093  24.318
   97    H    ILE  12           HN       ILE  12  26.571  14.193  25.362
   98    HA   ILE  12           HA       ILE  12  24.336  15.234  26.610
   99    HB   ILE  12           HB       ILE  12  27.141  16.189  26.725
  100   HG12  ILE  12          HG12      ILE  12  27.266  14.285  28.559
  101   HG13  ILE  12          HG11      ILE  12  26.201  13.524  27.378
  102   HG21  ILE  12          HG21      ILE  12  25.226  17.275  28.113
  103   HG22  ILE  12          HG22      ILE  12  26.618  16.663  29.087
  104   HG23  ILE  12          HG23      ILE  12  25.089  15.709  29.000
  105   HD11  ILE  12          HD11      ILE  12  28.983  14.509  26.961
  106   HD12  ILE  12          HD12      ILE  12  27.903  14.408  25.560
  107   HD13  ILE  12          HD13      ILE  12  28.283  12.922  26.520
  108    H    LEU  13           HN       LEU  13  26.660  15.491  24.416
  109    HA   LEU  13           HA       LEU  13  26.414  18.304  24.044
  110    HB2  LEU  13           HB2      LEU  13  28.165  15.975  24.413
  111    HB3  LEU  13           HB1      LEU  13  28.764  17.187  23.136
  112    HG   LEU  13           HG       LEU  13  29.470  18.667  24.751
  113   HD11  LEU  13          HD11      LEU  13  27.279  19.643  25.141
  114   HD12  LEU  13          HD12      LEU  13  27.989  19.310  26.767
  115   HD13  LEU  13          HD13      LEU  13  26.733  18.208  26.083
  116   HD21  LEU  13          HD21      LEU  13  28.961  17.273  27.228
  117   HD22  LEU  13          HD22      LEU  13  30.471  17.272  26.235
  118   HD23  LEU  13          HD23      LEU  13  29.204  16.030  25.948
  119    H    GLN  14           HN       GLN  14  25.872  15.301  22.713
  120    HA   GLN  14           HA       GLN  14  26.687  15.340  20.133
  121    HB2  GLN  14           HB2      GLN  14  24.383  14.139  19.745
  122    HB3  GLN  14           HB1      GLN  14  25.572  13.400  20.911
  123    HG2  GLN  14           HG2      GLN  14  24.496  14.570  22.813
  124    HG3  GLN  14           HG1      GLN  14  23.326  15.364  21.701
  125   HE21  GLN  14          HE21      GLN  14  24.462  11.982  21.193
  126   HE22  GLN  14          HE22      GLN  14  22.938  11.226  21.511
  127    H    ARG  15           HN       ARG  15  24.042  17.135  21.556
  128    HA   ARG  15           HA       ARG  15  22.808  17.661  19.088
  129    HB2  ARG  15           HB2      ARG  15  21.271  19.039  20.403
  130    HB3  ARG  15           HB1      ARG  15  21.604  17.488  21.261
  131    HG2  ARG  15           HG2      ARG  15  23.553  18.809  22.444
  132    HG3  ARG  15           HG1      ARG  15  22.694  20.281  21.872
  133    HD2  ARG  15           HD2      ARG  15  21.906  19.807  24.156
  134    HD3  ARG  15           HD1      ARG  15  20.553  19.357  23.025
  135    HE   ARG  15           HE       ARG  15  22.326  17.089  23.534
  136   HH11  ARG  15          HH11      ARG  15  19.708  19.097  24.877
  137   HH12  ARG  15          HH12      ARG  15  19.051  17.842  25.874
  138   HH21  ARG  15          HH21      ARG  15  21.434  15.383  24.884
  139   HH22  ARG  15          HH22      ARG  15  20.049  15.694  25.878
  140    H    LYS  16           HN       LYS  16  25.435  19.134  20.851
  141    HA   LYS  16           HA       LYS  16  25.016  21.591  19.327
  142    HB2  LYS  16           HB2      LYS  16  25.029  22.116  21.710
  143    HB3  LYS  16           HB1      LYS  16  26.426  21.013  21.983
  144    HG2  LYS  16           HG2      LYS  16  27.881  22.480  20.650
  145    HG3  LYS  16           HG1      LYS  16  26.504  23.576  20.287
  146    HD2  LYS  16           HD2      LYS  16  26.266  24.085  22.726
  147    HD3  LYS  16           HD1      LYS  16  27.625  22.968  23.097
  148    HE2  LYS  16           HE2      LYS  16  29.189  24.413  21.769
  149    HE3  LYS  16           HE1      LYS  16  27.818  25.534  21.376
  150    HZ1  LYS  16           HZ1      LYS  16  28.151  26.526  23.278
  151    HZ2  LYS  16           HZ2      LYS  16  29.455  25.496  23.629
  152    HZ3  LYS  16           HZ3      LYS  16  27.889  25.090  24.146
  153    H    LYS  17           HN       LYS  17  27.212  19.182  20.574
  154    HA   LYS  17           HA       LYS  17  29.231  20.026  18.620
  155    HB2  LYS  17           HB2      LYS  17  29.233  18.319  21.144
  156    HB3  LYS  17           HB1      LYS  17  30.579  18.169  19.949
  157    HG2  LYS  17           HG2      LYS  17  31.039  20.627  20.169
  158    HG3  LYS  17           HG1      LYS  17  29.706  20.766  21.365
  159    HD2  LYS  17           HD2      LYS  17  30.884  19.321  22.951
  160    HD3  LYS  17           HD1      LYS  17  32.137  18.914  21.730
  161    HE2  LYS  17           HE2      LYS  17  33.014  20.598  23.342
  162    HE3  LYS  17           HE1      LYS  17  32.860  21.348  21.698
  163    HZ1  LYS  17           HZ1      LYS  17  31.839  22.309  24.011
  164    HZ2  LYS  17           HZ2      LYS  17  30.483  21.575  23.297
  165    HZ3  LYS  17           HZ3      LYS  17  31.359  22.753  22.444
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1  27.882   0.166  34.865
    2    H2   ALA   1           HT2      ALA   1  27.127  -0.620  36.167
    3    H3   ALA   1           HT3      ALA   1  28.741  -0.110  36.304
    4    HA   ALA   1           HA       ALA   1  26.315   1.325  36.715
    5    HB1  ALA   1           HB1      ALA   1  28.089   1.089  38.460
    6    HB2  ALA   1           HB2      ALA   1  27.881   2.829  38.028
    7    HB3  ALA   1           HB3      ALA   1  29.275   1.894  37.364
    8    H    MET   2           HN       MET   2  29.387   1.921  34.866
    9    HA   MET   2           HA       MET   2  28.093   4.333  33.774
   10    HB2  MET   2           HB2      MET   2  30.965   3.335  33.420
   11    HB3  MET   2           HB1      MET   2  30.287   4.884  32.818
   12    HG2  MET   2           HG2      MET   2  30.598   4.085  35.778
   13    HG3  MET   2           HG1      MET   2  31.691   5.179  34.874
   14    HE1  MET   2           HE1      MET   2  30.279   5.737  37.653
   15    HE2  MET   2           HE2      MET   2  29.919   7.486  37.448
   16    HE3  MET   2           HE3      MET   2  31.458   6.808  36.817
   17    H    ARG   3           HN       ARG   3  26.839   3.814  32.200
   18    HA   ARG   3           HA       ARG   3  27.505   1.775  30.393
   19    HB2  ARG   3           HB2      ARG   3  25.134   2.445  30.748
   20    HB3  ARG   3           HB1      ARG   3  25.591   4.148  30.359
   21    HG2  ARG   3           HG2      ARG   3  26.057   3.609  28.056
   22    HG3  ARG   3           HG1      ARG   3  25.878   1.840  28.357
   23    HD2  ARG   3           HD2      ARG   3  23.443   2.103  28.786
   24    HD3  ARG   3           HD1      ARG   3  23.590   3.914  28.657
   25    HE   ARG   3           HE       ARG   3  24.650   2.844  26.248
   26   HH11  ARG   3          HH11      ARG   3  21.594   2.868  28.076
   27   HH12  ARG   3          HH12      ARG   3  20.577   2.757  26.678
   28   HH21  ARG   3          HH21      ARG   3  23.268   2.693  24.346
   29   HH22  ARG   3          HH22      ARG   3  21.546   2.654  24.522
   30    H    LEU   4           HN       LEU   4  27.539   5.178  30.716
   31    HA   LEU   4           HA       LEU   4  28.015   6.270  28.484
   32    HB2  LEU   4           HB2      LEU   4  29.633   6.812  31.044
   33    HB3  LEU   4           HB1      LEU   4  29.527   7.961  29.671
   34    HG   LEU   4           HG       LEU   4  27.651   7.455  31.894
   35   HD11  LEU   4          HD11      LEU   4  27.042   9.827  30.276
   36   HD12  LEU   4          HD12      LEU   4  28.825   9.675  30.479
   37   HD13  LEU   4          HD13      LEU   4  27.753   9.721  31.930
   38   HD21  LEU   4          HD21      LEU   4  26.574   7.177  29.056
   39   HD22  LEU   4          HD22      LEU   4  25.645   8.194  30.213
   40   HD23  LEU   4          HD23      LEU   4  25.988   6.469  30.610
   41    H    SER   5           HN       SER   5  29.009   5.320  26.839
   42    HA   SER   5           HA       SER   5  31.644   4.151  27.203
   43    HB2  SER   5           HB2      SER   5  31.331   3.539  24.670
   44    HB3  SER   5           HB1      SER   5  30.262   2.713  25.871
   45    HG   SER   5           HG       SER   5  28.772   3.464  24.640
   46    H    DPP   6           HN       DPP   6  30.510   5.929  24.209
   47    HA   DPP   6           HA       DPP   6  33.108   7.127  23.982
   48    HB2  DPP   6           HB2      DPP   6  31.268   6.595  22.003
   49    HB3  DPP   6           HB3      DPP   6  32.410   7.977  21.837
   50    H    PHE   7           HN       PHE   7  31.746   7.703  26.556
   51    HA   PHE   7           HA       PHE   7  30.252   9.927  26.177
   52    HB2  PHE   7           HB2      PHE   7  30.875   8.622  28.583
   53    HB3  PHE   7           HB1      PHE   7  31.043  10.437  28.737
   54    HD1  PHE   7           HD1      PHE   7  28.820   7.755  27.730
   55    HD2  PHE   7           HD2      PHE   7  29.338  11.878  28.241
   56    HE1  PHE   7           HE1      PHE   7  26.447   8.114  27.442
   57    HE2  PHE   7           HE2      PHE   7  27.008  12.232  27.918
   58    HZ   PHE   7           HZ       PHE   7  25.632  10.341  27.589
   59    H    PHE   8           HN       PHE   8  30.082  11.615  26.545
   60    HA   PHE   8           HA       PHE   8  30.253  13.562  26.661
   61    HB2  PHE   8           HB2      PHE   8  33.021  13.005  27.791
   62    HB3  PHE   8           HB1      PHE   8  32.664  14.713  27.225
   63    HD1  PHE   8           HD1      PHE   8  31.705  12.038  29.482
   64    HD2  PHE   8           HD2      PHE   8  30.819  15.796  27.822
   65    HE1  PHE   8           HE1      PHE   8  29.665  12.093  30.773
   66    HE2  PHE   8           HE2      PHE   8  28.829  15.948  29.093
   67    HZ   PHE   8           HZ       PHE   8  28.221  14.094  30.621
   68    H    ARG   9           HN       ARG   9  30.272  15.056  25.771
   69    HA   ARG   9           HA       ARG   9  29.973  16.208  24.187
   70    HB2  ARG   9           HB2      ARG   9  32.711  15.644  23.013
   71    HB3  ARG   9           HB1      ARG   9  31.735  17.136  22.786
   72    HG2  ARG   9           HG2      ARG   9  32.689  18.083  24.612
   73    HG3  ARG   9           HG1      ARG   9  32.084  16.739  25.653
   74    HD2  ARG   9           HD2      ARG   9  34.759  16.818  24.090
   75    HD3  ARG   9           HD1      ARG   9  34.515  16.788  25.900
   76    HE   ARG   9           HE       ARG   9  33.112  14.548  24.729
   77   HH11  ARG   9          HH11      ARG   9  36.415  15.826  25.316
   78   HH12  ARG   9          HH12      ARG   9  37.168  14.271  25.425
   79   HH21  ARG   9          HH21      ARG   9  34.159  12.436  24.880
   80   HH22  ARG   9          HH22      ARG   9  35.864  12.309  25.172
   81    H    GLN  10           HN       GLN  10  28.646  14.087  23.961
   82    HA   GLN  10           HA       GLN  10  28.505  13.730  21.238
   83    HB2  GLN  10           HB2      GLN  10  30.489  12.455  21.403
   84    HB3  GLN  10           HB1      GLN  10  30.113  12.099  23.129
   85    HG2  GLN  10           HG2      GLN  10  28.464  10.375  22.428
   86    HG3  GLN  10           HG1      GLN  10  28.759  10.731  20.688
   87   HE21  GLN  10          HE21      GLN  10  29.516   8.287  22.804
   88    H    PHE  11           HN       PHE  11  27.241  13.805  24.253
   89    HA   PHE  11           HA       PHE  11  24.973  12.156  23.476
   90    HB2  PHE  11           HB2      PHE  11  26.344  12.460  26.115
   91    HB3  PHE  11           HB1      PHE  11  24.909  11.377  25.803
   92    HD1  PHE  11           HD1      PHE  11  28.312  12.260  24.902
   93    HD2  PHE  11           HD2      PHE  11  25.314   9.261  25.169
   94    HE1  PHE  11           HE1      PHE  11  29.935  10.548  24.447
   95    HE2  PHE  11           HE2      PHE  11  26.954   7.520  24.755
   96    HZ   PHE  11           HZ       PHE  11  29.298   8.139  24.370
   97    H    ILE  12           HN       ILE  12  26.588  14.359  25.383
   98    HA   ILE  12           HA       ILE  12  24.368  15.435  26.643
   99    HB   ILE  12           HB       ILE  12  27.183  16.378  26.689
  100   HG12  ILE  12          HG12      ILE  12  27.312  14.518  28.573
  101   HG13  ILE  12          HG11      ILE  12  26.224  13.741  27.420
  102   HG21  ILE  12          HG21      ILE  12  25.299  17.517  28.076
  103   HG22  ILE  12          HG22      ILE  12  26.695  16.918  29.048
  104   HG23  ILE  12          HG23      ILE  12  25.156  15.976  29.004
  105   HD11  ILE  12          HD11      ILE  12  28.285  13.092  26.545
  106   HD12  ILE  12          HD12      ILE  12  29.015  14.679  26.956
  107   HD13  ILE  12          HD13      ILE  12  27.923  14.566  25.567
  108    H    LEU  13           HN       LEU  13  26.671  15.614  24.429
  109    HA   LEU  13           HA       LEU  13  26.438  18.404  23.918
  110    HB2  LEU  13           HB2      LEU  13  28.174  16.074  24.378
  111    HB3  LEU  13           HB1      LEU  13  28.769  17.229  23.048
  112    HG   LEU  13           HG       LEU  13  29.492  18.777  24.594
  113   HD11  LEU  13          HD11      LEU  13  26.762  18.385  25.960
  114   HD12  LEU  13          HD12      LEU  13  27.312  19.778  24.959
  115   HD13  LEU  13          HD13      LEU  13  28.026  19.505  26.595
  116   HD21  LEU  13          HD21      LEU  13  29.008  17.505  27.139
  117   HD22  LEU  13          HD22      LEU  13  30.506  17.449  26.131
  118   HD23  LEU  13          HD23      LEU  13  29.235  16.197  25.922
  119    H    GLN  14           HN       GLN  14  25.753  15.373  22.792
  120    HA   GLN  14           HA       GLN  14  26.488  15.195  20.200
  121    HB2  GLN  14           HB2      GLN  14  24.109  14.113  19.953
  122    HB3  GLN  14           HB1      GLN  14  25.275  13.379  21.146
  123    HG2  GLN  14           HG2      GLN  14  24.321  14.797  22.974
  124    HG3  GLN  14           HG1      GLN  14  23.134  15.503  21.811
  125   HE21  GLN  14          HE21      GLN  14  21.278  14.624  22.894
  126   HE22  GLN  14          HE22      GLN  14  20.885  12.940  22.830
  127    H    ARG  15           HN       ARG  15  24.045  17.270  21.588
  128    HA   ARG  15           HA       ARG  15  22.725  17.718  19.155
  129    HB2  ARG  15           HB2      ARG  15  21.419  19.369  20.420
  130    HB3  ARG  15           HB1      ARG  15  21.626  17.857  21.379
  131    HG2  ARG  15           HG2      ARG  15  23.527  18.867  22.623
  132    HG3  ARG  15           HG1      ARG  15  23.378  20.375  21.664
  133    HD2  ARG  15           HD2      ARG  15  21.107  19.249  23.449
  134    HD3  ARG  15           HD1      ARG  15  22.285  20.538  23.964
  135    HE   ARG  15           HE       ARG  15  21.165  21.374  21.478
  136   HH11  ARG  15          HH11      ARG  15  20.150  20.617  24.807
  137   HH12  ARG  15          HH12      ARG  15  18.823  21.729  24.821
  138   HH21  ARG  15          HH21      ARG  15  19.361  22.888  21.495
  139   HH22  ARG  15          HH22      ARG  15  18.366  23.042  22.904
  140    H    LYS  16           HN       LYS  16  25.563  19.092  20.661
  141    HA   LYS  16           HA       LYS  16  25.294  21.423  18.918
  142    HB2  LYS  16           HB2      LYS  16  25.402  22.173  21.237
  143    HB3  LYS  16           HB1      LYS  16  26.710  20.989  21.599
  144    HG2  LYS  16           HG2      LYS  16  28.251  22.199  20.106
  145    HG3  LYS  16           HG1      LYS  16  26.959  23.365  19.663
  146    HD2  LYS  16           HD2      LYS  16  26.820  24.120  22.044
  147    HD3  LYS  16           HD1      LYS  16  28.090  22.932  22.501
  148    HE2  LYS  16           HE2      LYS  16  29.740  24.109  21.018
  149    HE3  LYS  16           HE1      LYS  16  28.457  25.299  20.539
  150    HZ1  LYS  16           HZ1      LYS  16  29.347  26.407  22.236
  151    HZ2  LYS  16           HZ2      LYS  16  29.946  25.028  23.024
  152    HZ3  LYS  16           HZ3      LYS  16  28.308  25.447  23.175
  153    H    LYS  17           HN       LYS  17  27.331  18.994  20.378
  154    HA   LYS  17           HA       LYS  17  29.328  19.445  18.268
  155    HB2  LYS  17           HB2      LYS  17  29.361  18.177  21.036
  156    HB3  LYS  17           HB1      LYS  17  30.646  17.759  19.838
  157    HG2  LYS  17           HG2      LYS  17  31.226  20.194  19.628
  158    HG3  LYS  17           HG1      LYS  17  29.955  20.596  20.834
  159    HD2  LYS  17           HD2      LYS  17  31.138  19.371  22.591
  160    HD3  LYS  17           HD1      LYS  17  32.316  18.707  21.409
  161    HE2  LYS  17           HE2      LYS  17  33.341  20.582  22.684
  162    HE3  LYS  17           HE1      LYS  17  33.139  21.066  20.949
  163    HZ1  LYS  17           HZ1      LYS  17  31.745  22.651  21.519
  164    HZ2  LYS  17           HZ2      LYS  17  32.269  22.430  23.120
  165    HZ3  LYS  17           HZ3      LYS  17  30.853  21.667  22.577
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1  29.086   2.227  37.087
    2    H2   ALA   1           HT2      ALA   1  29.211   0.536  36.995
    3    H3   ALA   1           HT3      ALA   1  28.247   1.252  38.196
    4    HA   ALA   1           HA       ALA   1  27.400   0.331  35.808
    5    HB1  ALA   1           HB1      ALA   1  26.020   0.714  37.887
    6    HB2  ALA   1           HB2      ALA   1  25.222   1.417  36.429
    7    HB3  ALA   1           HB3      ALA   1  26.100   2.490  37.583
    8    H    MET   2           HN       MET   2  29.488   1.958  34.868
    9    HA   MET   2           HA       MET   2  28.146   4.327  33.772
   10    HB2  MET   2           HB2      MET   2  31.017   3.315  33.442
   11    HB3  MET   2           HB1      MET   2  30.349   4.819  32.726
   12    HG2  MET   2           HG2      MET   2  30.627   4.227  35.737
   13    HG3  MET   2           HG1      MET   2  31.730   5.252  34.771
   14    HE1  MET   2           HE1      MET   2  27.677   5.121  36.007
   15    HE2  MET   2           HE2      MET   2  28.260   6.319  37.212
   16    HE3  MET   2           HE3      MET   2  29.150   4.777  36.979
   17    H    ARG   3           HN       ARG   3  26.849   3.809  32.228
   18    HA   ARG   3           HA       ARG   3  27.479   1.817  30.364
   19    HB2  ARG   3           HB2      ARG   3  25.118   2.503  30.771
   20    HB3  ARG   3           HB1      ARG   3  25.587   4.207  30.398
   21    HG2  ARG   3           HG2      ARG   3  25.994   3.707  28.083
   22    HG3  ARG   3           HG1      ARG   3  25.841   1.933  28.356
   23    HD2  ARG   3           HD2      ARG   3  23.758   2.813  27.290
   24    HD3  ARG   3           HD1      ARG   3  23.384   2.292  28.992
   25    HE   ARG   3           HE       ARG   3  24.146   5.095  28.940
   26   HH11  ARG   3          HH11      ARG   3  21.555   2.808  28.079
   27   HH12  ARG   3          HH12      ARG   3  20.270   3.952  28.269
   28   HH21  ARG   3          HH21      ARG   3  22.397   6.654  29.199
   29   HH22  ARG   3          HH22      ARG   3  20.757   6.176  28.916
   30    H    LEU   4           HN       LEU   4  27.557   5.213  30.748
   31    HA   LEU   4           HA       LEU   4  28.010   6.319  28.504
   32    HB2  LEU   4           HB2      LEU   4  29.634   6.854  31.063
   33    HB3  LEU   4           HB1      LEU   4  29.523   8.007  29.694
   34    HG   LEU   4           HG       LEU   4  27.658   7.495  31.923
   35   HD11  LEU   4          HD11      LEU   4  27.033   9.866  30.309
   36   HD12  LEU   4          HD12      LEU   4  28.818   9.718  30.501
   37   HD13  LEU   4          HD13      LEU   4  27.755   9.760  31.958
   38   HD21  LEU   4          HD21      LEU   4  25.638   8.227  30.258
   39   HD22  LEU   4          HD22      LEU   4  25.994   6.502  30.642
   40   HD23  LEU   4          HD23      LEU   4  26.567   7.219  29.088
   41    H    SER   5           HN       SER   5  29.006   5.358  26.861
   42    HA   SER   5           HA       SER   5  31.658   4.217  27.240
   43    HB2  SER   5           HB2      SER   5  29.922   2.902  25.943
   44    HB3  SER   5           HB1      SER   5  29.915   4.214  24.703
   45    HG   SER   5           HG       SER   5  32.014   2.469  25.461
   46    H    DPP   6           HN       DPP   6  30.470   5.973  24.234
   47    HA   DPP   6           HA       DPP   6  33.062   7.170  23.974
   48    HB2  DPP   6           HB2      DPP   6  31.195   6.634  22.018
   49    HB3  DPP   6           HB3      DPP   6  32.341   8.010  21.835
   50    H    PHE   7           HN       PHE   7  31.725   7.747  26.562
   51    HA   PHE   7           HA       PHE   7  30.229   9.972  26.194
   52    HB2  PHE   7           HB2      PHE   7  30.865   8.667  28.596
   53    HB3  PHE   7           HB1      PHE   7  31.038  10.481  28.748
   54    HD1  PHE   7           HD1      PHE   7  28.806   7.802  27.753
   55    HD2  PHE   7           HD2      PHE   7  29.330  11.923  28.266
   56    HE1  PHE   7           HE1      PHE   7  26.432   8.163  27.479
   57    HE2  PHE   7           HE2      PHE   7  26.998  12.281  27.958
   58    HZ   PHE   7           HZ       PHE   7  25.619  10.391  27.635
   59    H    PHE   8           HN       PHE   8  30.065  11.659  26.568
   60    HA   PHE   8           HA       PHE   8  30.238  13.606  26.683
   61    HB2  PHE   8           HB2      PHE   8  33.013  13.045  27.796
   62    HB3  PHE   8           HB1      PHE   8  32.655  14.753  27.232
   63    HD1  PHE   8           HD1      PHE   8  31.703  12.079  29.491
   64    HD2  PHE   8           HD2      PHE   8  30.816  15.842  27.841
   65    HE1  PHE   8           HE1      PHE   8  29.673  12.138  30.795
   66    HE2  PHE   8           HE2      PHE   8  28.835  15.997  29.125
   67    HZ   PHE   8           HZ       PHE   8  28.233  14.141  30.653
   68    H    ARG   9           HN       ARG   9  30.256  15.102  25.796
   69    HA   ARG   9           HA       ARG   9  29.948  16.257  24.215
   70    HB2  ARG   9           HB2      ARG   9  32.681  15.694  23.026
   71    HB3  ARG   9           HB1      ARG   9  31.705  17.187  22.805
   72    HG2  ARG   9           HG2      ARG   9  32.669  18.131  24.627
   73    HG3  ARG   9           HG1      ARG   9  32.061  16.790  25.670
   74    HD2  ARG   9           HD2      ARG   9  34.735  16.860  24.104
   75    HD3  ARG   9           HD1      ARG   9  34.493  16.828  25.913
   76    HE   ARG   9           HE       ARG   9  33.082  14.594  24.742
   77   HH11  ARG   9          HH11      ARG   9  36.390  15.862  25.317
   78   HH12  ARG   9          HH12      ARG   9  37.140  14.305  25.419
   79   HH21  ARG   9          HH21      ARG   9  34.124  12.480  24.885
   80   HH22  ARG   9          HH22      ARG   9  35.829  12.347  25.169
   81    H    GLN  10           HN       GLN  10  28.619  14.137  23.996
   82    HA   GLN  10           HA       GLN  10  28.459  13.779  21.273
   83    HB2  GLN  10           HB2      GLN  10  30.441  12.500  21.430
   84    HB3  GLN  10           HB1      GLN  10  30.069  12.142  23.157
   85    HG2  GLN  10           HG2      GLN  10  28.413  10.425  22.459
   86    HG3  GLN  10           HG1      GLN  10  28.701  10.786  20.719
   87   HE21  GLN  10          HE21      GLN  10  29.460   8.335  22.827
   88    H    PHE  11           HN       PHE  11  27.211  13.856  24.298
   89    HA   PHE  11           HA       PHE  11  24.933  12.217  23.530
   90    HB2  PHE  11           HB2      PHE  11  26.319  12.507  26.162
   91    HB3  PHE  11           HB1      PHE  11  24.879  11.431  25.854
   92    HD1  PHE  11           HD1      PHE  11  28.280  12.304  24.941
   93    HD2  PHE  11           HD2      PHE  11  25.271   9.316  25.210
   94    HE1  PHE  11           HE1      PHE  11  29.894  10.588  24.473
   95    HE2  PHE  11           HE2      PHE  11  26.903   7.571  24.784
   96    HZ   PHE  11           HZ       PHE  11  29.247   8.181  24.391
   97    H    ILE  12           HN       ILE  12  26.567  14.408  25.434
   98    HA   ILE  12           HA       ILE  12  24.358  15.493  26.704
   99    HB   ILE  12           HB       ILE  12  27.175  16.430  26.729
  100   HG12  ILE  12          HG12      ILE  12  27.315  14.571  28.614
  101   HG13  ILE  12          HG11      ILE  12  26.216  13.795  27.471
  102   HG21  ILE  12          HG21      ILE  12  26.706  16.976  29.089
  103   HG22  ILE  12          HG22      ILE  12  25.166  16.035  29.060
  104   HG23  ILE  12          HG23      ILE  12  25.302  17.574  28.127
  105   HD11  ILE  12          HD11      ILE  12  28.270  13.141  26.582
  106   HD12  ILE  12          HD12      ILE  12  29.007  14.729  26.983
  107   HD13  ILE  12          HD13      ILE  12  27.903  14.615  25.603
  108    H    LEU  13           HN       LEU  13  26.641  15.652  24.472
  109    HA   LEU  13           HA       LEU  13  26.408  18.434  23.926
  110    HB2  LEU  13           HB2      LEU  13  28.147  16.113  24.410
  111    HB3  LEU  13           HB1      LEU  13  28.735  17.254  23.067
  112    HG   LEU  13           HG       LEU  13  29.466  18.815  24.592
  113   HD11  LEU  13          HD11      LEU  13  27.285  19.821  24.948
  114   HD12  LEU  13          HD12      LEU  13  28.008  19.576  26.584
  115   HD13  LEU  13          HD13      LEU  13  26.741  18.445  25.974
  116   HD21  LEU  13          HD21      LEU  13  29.216  16.253  25.951
  117   HD22  LEU  13          HD22      LEU  13  28.984  17.574  27.154
  118   HD23  LEU  13          HD23      LEU  13  30.484  17.512  26.148
  119    H    GLN  14           HN       GLN  14  25.690  15.397  22.859
  120    HA   GLN  14           HA       GLN  14  26.412  15.129  20.280
  121    HB2  GLN  14           HB2      GLN  14  23.991  14.132  20.056
  122    HB3  GLN  14           HB1      GLN  14  25.133  13.384  21.263
  123    HG2  GLN  14           HG2      GLN  14  24.237  14.881  23.061
  124    HG3  GLN  14           HG1      GLN  14  23.071  15.598  21.882
  125   HE21  GLN  14          HE21      GLN  14  21.189  14.811  22.988
  126   HE22  GLN  14          HE22      GLN  14  20.740  13.140  22.971
  127    H    ARG  15           HN       ARG  15  24.019  17.317  21.589
  128    HA   ARG  15           HA       ARG  15  22.738  17.746  19.136
  129    HB2  ARG  15           HB2      ARG  15  21.498  19.494  20.339
  130    HB3  ARG  15           HB1      ARG  15  21.636  18.007  21.348
  131    HG2  ARG  15           HG2      ARG  15  23.565  18.971  22.576
  132    HG3  ARG  15           HG1      ARG  15  23.499  20.450  21.563
  133    HD2  ARG  15           HD2      ARG  15  21.160  19.500  23.362
  134    HD3  ARG  15           HD1      ARG  15  22.393  20.749  23.843
  135    HE   ARG  15           HE       ARG  15  21.341  21.547  21.317
  136   HH11  ARG  15          HH11      ARG  15  20.254  20.959  24.658
  137   HH12  ARG  15          HH12      ARG  15  18.983  22.134  24.615
  138   HH21  ARG  15          HH21      ARG  15  19.613  23.147  21.258
  139   HH22  ARG  15          HH22      ARG  15  18.612  23.400  22.649
  140    H    LYS  16           HN       LYS  16  25.609  19.055  20.630
  141    HA   LYS  16           HA       LYS  16  25.469  21.339  18.814
  142    HB2  LYS  16           HB2      LYS  16  25.620  22.135  21.117
  143    HB3  LYS  16           HB1      LYS  16  26.874  20.900  21.501
  144    HG2  LYS  16           HG2      LYS  16  28.475  21.998  20.016
  145    HG3  LYS  16           HG1      LYS  16  27.237  23.184  19.477
  146    HD2  LYS  16           HD2      LYS  16  27.065  24.059  21.824
  147    HD3  LYS  16           HD1      LYS  16  28.304  22.872  22.356
  148    HE2  LYS  16           HE2      LYS  16  28.790  25.060  20.221
  149    HE3  LYS  16           HE1      LYS  16  29.253  25.192  21.969
  150    HZ1  LYS  16           HZ1      LYS  16  30.334  22.859  21.342
  151    HZ2  LYS  16           HZ2      LYS  16  31.136  24.346  21.177
  152    HZ3  LYS  16           HZ3      LYS  16  30.418  23.613  19.823
  153    H    LYS  17           HN       LYS  17  27.390  18.852  20.344
  154    HA   LYS  17           HA       LYS  17  29.486  19.203  18.340
  155    HB2  LYS  17           HB2      LYS  17  29.178  17.647  20.940
  156    HB3  LYS  17           HB1      LYS  17  30.470  17.182  19.771
  157    HG2  LYS  17           HG2      LYS  17  30.123  20.021  20.917
  158    HG3  LYS  17           HG1      LYS  17  31.200  18.776  21.635
  159    HD2  LYS  17           HD2      LYS  17  32.447  18.634  19.443
  160    HD3  LYS  17           HD1      LYS  17  31.400  19.938  18.785
  161    HE2  LYS  17           HE2      LYS  17  32.234  21.513  20.558
  162    HE3  LYS  17           HE1      LYS  17  33.290  20.196  21.222
  163    HZ1  LYS  17           HZ1      LYS  17  34.668  20.317  19.464
  164    HZ2  LYS  17           HZ2      LYS  17  34.139  21.930  19.481
  165    HZ3  LYS  17           HZ3      LYS  17  33.478  20.833  18.367
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1  28.421   1.523  37.128
    2    H2   ALA   1           HT2      ALA   1  26.848   0.894  37.255
    3    H3   ALA   1           HT3      ALA   1  27.535   1.730  38.563
    4    HA   ALA   1           HA       ALA   1  25.892   2.783  36.728
    5    HB1  ALA   1           HB1      ALA   1  26.457   3.726  38.999
    6    HB2  ALA   1           HB2      ALA   1  26.557   4.995  37.721
    7    HB3  ALA   1           HB3      ALA   1  28.066   4.238  38.361
    8    H    MET   2           HN       MET   2  27.677   1.532  34.950
    9    HA   MET   2           HA       MET   2  28.676   3.910  33.554
   10    HB2  MET   2           HB2      MET   2  30.143   1.215  33.804
   11    HB3  MET   2           HB1      MET   2  30.567   2.507  32.624
   12    HG2  MET   2           HG2      MET   2  31.097   4.071  34.459
   13    HG3  MET   2           HG1      MET   2  30.562   2.874  35.680
   14    HE1  MET   2           HE1      MET   2  32.942   2.311  32.305
   15    HE2  MET   2           HE2      MET   2  34.344   3.100  33.106
   16    HE3  MET   2           HE3      MET   2  32.778   3.972  32.973
   17    H    ARG   3           HN       ARG   3  29.034   3.467  31.274
   18    HA   ARG   3           HA       ARG   3  28.023   1.392  29.873
   19    HB2  ARG   3           HB2      ARG   3  25.731   1.801  30.713
   20    HB3  ARG   3           HB1      ARG   3  26.024   3.584  30.619
   21    HG2  ARG   3           HG2      ARG   3  26.073   3.544  28.207
   22    HG3  ARG   3           HG1      ARG   3  25.991   1.749  28.164
   23    HD2  ARG   3           HD2      ARG   3  23.759   3.505  29.401
   24    HD3  ARG   3           HD1      ARG   3  23.750   2.944  27.673
   25    HE   ARG   3           HE       ARG   3  23.284   1.278  30.080
   26   HH11  ARG   3          HH11      ARG   3  24.189   1.416  26.632
   27   HH12  ARG   3          HH12      ARG   3  23.726  -0.217  26.289
   28   HH21  ARG   3          HH21      ARG   3  22.659  -0.939  29.610
   29   HH22  ARG   3          HH22      ARG   3  22.842  -1.577  28.011
   30    H    LEU   4           HN       LEU   4  28.164   4.698  30.670
   31    HA   LEU   4           HA       LEU   4  28.044   6.001  28.378
   32    HB2  LEU   4           HB2      LEU   4  29.750   6.560  30.871
   33    HB3  LEU   4           HB1      LEU   4  29.595   7.743  29.531
   34    HG   LEU   4           HG       LEU   4  27.785   7.171  31.767
   35   HD11  LEU   4          HD11      LEU   4  28.780   9.420  30.280
   36   HD12  LEU   4          HD12      LEU   4  27.716   9.438  31.737
   37   HD13  LEU   4          HD13      LEU   4  26.989   9.448  30.088
   38   HD21  LEU   4          HD21      LEU   4  26.283   5.934  30.411
   39   HD22  LEU   4          HD22      LEU   4  26.594   6.937  28.940
   40   HD23  LEU   4          HD23      LEU   4  25.641   7.615  30.310
   41    H    SER   5           HN       SER   5  28.978   5.051  26.646
   42    HA   SER   5           HA       SER   5  31.924   4.871  26.629
   43    HB2  SER   5           HB2      SER   5  30.823   2.630  26.194
   44    HB3  SER   5           HB1      SER   5  29.902   3.380  24.832
   45    HG   SER   5           HG       SER   5  31.598   3.274  23.647
   46    H    DPP   6           HN       DPP   6  33.037   6.080  25.064
   47    HA   DPP   6           HA       DPP   6  33.380   7.604  23.478
   48    HB2  DPP   6           HB2      DPP   6  31.010   6.453  22.252
   49    HB3  DPP   6           HB3      DPP   6  32.116   7.651  21.488
   50    H    PHE   7           HN       PHE   7  31.893   7.686  26.303
   51    HA   PHE   7           HA       PHE   7  30.278   9.840  26.042
   52    HB2  PHE   7           HB2      PHE   7  30.911   8.431  28.377
   53    HB3  PHE   7           HB1      PHE   7  31.048  10.238  28.641
   54    HD1  PHE   7           HD1      PHE   7  28.851   7.561  27.584
   55    HD2  PHE   7           HD2      PHE   7  29.321  11.692  28.135
   56    HE1  PHE   7           HE1      PHE   7  26.471   7.892  27.343
   57    HE2  PHE   7           HE2      PHE   7  26.979  12.019  27.851
   58    HZ   PHE   7           HZ       PHE   7  25.629  10.107  27.527
   59    H    PHE   8           HN       PHE   8  30.044  11.519  26.462
   60    HA   PHE   8           HA       PHE   8  30.168  13.464  26.687
   61    HB2  PHE   8           HB2      PHE   8  32.946  12.921  27.805
   62    HB3  PHE   8           HB1      PHE   8  32.553  14.644  27.310
   63    HD1  PHE   8           HD1      PHE   8  31.643  11.852  29.441
   64    HD2  PHE   8           HD2      PHE   8  30.689  15.660  27.942
   65    HE1  PHE   8           HE1      PHE   8  29.598  11.809  30.720
   66    HE2  PHE   8           HE2      PHE   8  28.690  15.715  29.201
   67    HZ   PHE   8           HZ       PHE   8  28.111  13.781  30.641
   68    H    ARG   9           HN       ARG   9  30.153  14.983  25.838
   69    HA   ARG   9           HA       ARG   9  29.850  16.178  24.291
   70    HB2  ARG   9           HB2      ARG   9  32.610  15.695  23.130
   71    HB3  ARG   9           HB1      ARG   9  31.607  17.172  22.920
   72    HG2  ARG   9           HG2      ARG   9  32.504  18.101  24.782
   73    HG3  ARG   9           HG1      ARG   9  31.927  16.715  25.783
   74    HD2  ARG   9           HD2      ARG   9  34.611  16.893  24.243
   75    HD3  ARG   9           HD1      ARG   9  34.358  16.843  26.051
   76    HE   ARG   9           HE       ARG   9  33.026  14.574  24.837
   77   HH11  ARG   9          HH11      ARG   9  36.277  15.939  25.513
   78   HH12  ARG   9          HH12      ARG   9  37.069  14.405  25.638
   79   HH21  ARG   9          HH21      ARG   9  34.126  12.491  25.014
   80   HH22  ARG   9          HH22      ARG   9  35.824  12.409  25.350
   81    H    GLN  10           HN       GLN  10  28.578  14.026  24.006
   82    HA   GLN  10           HA       GLN  10  28.464  13.739  21.271
   83    HB2  GLN  10           HB2      GLN  10  30.458  12.468  21.426
   84    HB3  GLN  10           HB1      GLN  10  30.068  12.075  23.141
   85    HG2  GLN  10           HG2      GLN  10  28.429  10.356  22.386
   86    HG3  GLN  10           HG1      GLN  10  28.736  10.752  20.659
   87   HE21  GLN  10          HE21      GLN  10  29.465   8.298  22.792
   88    H    PHE  11           HN       PHE  11  27.162  13.733  24.272
   89    HA   PHE  11           HA       PHE  11  24.923  12.075  23.438
   90    HB2  PHE  11           HB2      PHE  11  26.256  12.334  26.100
   91    HB3  PHE  11           HB1      PHE  11  24.846  11.234  25.739
   92    HD1  PHE  11           HD1      PHE  11  28.238  12.211  24.896
   93    HD2  PHE  11           HD2      PHE  11  25.308   9.137  25.073
   94    HE1  PHE  11           HE1      PHE  11  29.898  10.558  24.417
   95    HE2  PHE  11           HE2      PHE  11  27.003   7.453  24.637
   96    HZ   PHE  11           HZ       PHE  11  29.322   8.160  24.296
   97    H    ILE  12           HN       ILE  12  26.491  14.235  25.426
   98    HA   ILE  12           HA       ILE  12  24.250  15.243  26.699
   99    HB   ILE  12           HB       ILE  12  27.049  16.224  26.799
  100   HG12  ILE  12          HG12      ILE  12  27.201  14.308  28.621
  101   HG13  ILE  12          HG11      ILE  12  26.136  13.546  27.439
  102   HG21  ILE  12          HG21      ILE  12  26.532  16.638  29.191
  103   HG22  ILE  12          HG22      ILE  12  24.980  15.727  29.060
  104   HG23  ILE  12          HG23      ILE  12  25.173  17.308  28.210
  105   HD11  ILE  12          HD11      ILE  12  28.908  14.558  27.015
  106   HD12  ILE  12          HD12      ILE  12  27.821  14.461  25.620
  107   HD13  ILE  12          HD13      ILE  12  28.219  12.969  26.564
  108    H    LEU  13           HN       LEU  13  26.566  15.525  24.504
  109    HA   LEU  13           HA       LEU  13  26.293  18.328  24.084
  110    HB2  LEU  13           HB2      LEU  13  28.064  16.022  24.495
  111    HB3  LEU  13           HB1      LEU  13  28.655  17.229  23.213
  112    HG   LEU  13           HG       LEU  13  29.327  18.739  24.815
  113   HD11  LEU  13          HD11      LEU  13  27.120  19.676  25.196
  114   HD12  LEU  13          HD12      LEU  13  27.831  19.366  26.826
  115   HD13  LEU  13          HD13      LEU  13  26.598  18.238  26.146
  116   HD21  LEU  13          HD21      LEU  13  29.139  16.107  26.028
  117   HD22  LEU  13          HD22      LEU  13  28.836  17.344  27.303
  118   HD23  LEU  13          HD23      LEU  13  30.355  17.396  26.328
  119    H    GLN  14           HN       GLN  14  25.647  15.342  22.851
  120    HA   GLN  14           HA       GLN  14  26.461  15.215  20.283
  121    HB2  GLN  14           HB2      GLN  14  24.059  14.186  19.944
  122    HB3  GLN  14           HB1      GLN  14  25.201  13.397  21.129
  123    HG2  GLN  14           HG2      GLN  14  24.239  14.709  22.999
  124    HG3  GLN  14           HG1      GLN  14  23.136  15.570  21.868
  125   HE21  GLN  14          HE21      GLN  14  23.997  12.067  21.590
  126   HE22  GLN  14          HE22      GLN  14  22.402  11.467  21.892
  127    H    ARG  15           HN       ARG  15  23.994  17.292  21.630
  128    HA   ARG  15           HA       ARG  15  22.765  17.818  19.172
  129    HB2  ARG  15           HB2      ARG  15  21.466  19.483  20.422
  130    HB3  ARG  15           HB1      ARG  15  21.614  17.959  21.373
  131    HG2  ARG  15           HG2      ARG  15  23.515  18.919  22.664
  132    HG3  ARG  15           HG1      ARG  15  23.405  20.441  21.723
  133    HD2  ARG  15           HD2      ARG  15  21.087  19.324  23.453
  134    HD3  ARG  15           HD1      ARG  15  22.270  20.594  24.001
  135    HE   ARG  15           HE       ARG  15  21.206  21.469  21.506
  136   HH11  ARG  15          HH11      ARG  15  20.119  20.688  24.807
  137   HH12  ARG  15          HH12      ARG  15  18.803  21.812  24.808
  138   HH21  ARG  15          HH21      ARG  15  19.416  23.001  21.505
  139   HH22  ARG  15          HH22      ARG  15  18.396  23.150  22.896
  140    H    LYS  16           HN       LYS  16  25.574  19.098  20.803
  141    HA   LYS  16           HA       LYS  16  25.458  21.456  19.084
  142    HB2  LYS  16           HB2      LYS  16  25.537  22.153  21.421
  143    HB3  LYS  16           HB1      LYS  16  26.789  20.911  21.789
  144    HG2  LYS  16           HG2      LYS  16  28.411  22.089  20.355
  145    HG3  LYS  16           HG1      LYS  16  27.175  23.316  19.911
  146    HD2  LYS  16           HD2      LYS  16  27.017  24.022  22.308
  147    HD3  LYS  16           HD1      LYS  16  28.233  22.776  22.758
  148    HE2  LYS  16           HE2      LYS  16  29.952  23.922  21.330
  149    HE3  LYS  16           HE1      LYS  16  28.724  25.172  20.861
  150    HZ1  LYS  16           HZ1      LYS  16  28.732  24.951  23.642
  151    HZ2  LYS  16           HZ2      LYS  16  29.239  26.248  22.673
  152    HZ3  LYS  16           HZ3      LYS  16  30.350  25.051  23.139
  153    H    LYS  17           HN       LYS  17  27.380  18.931  20.560
  154    HA   LYS  17           HA       LYS  17  29.521  19.409  18.632
  155    HB2  LYS  17           HB2      LYS  17  29.182  17.895  21.223
  156    HB3  LYS  17           HB1      LYS  17  30.382  17.240  20.051
  157    HG2  LYS  17           HG2      LYS  17  30.367  20.159  21.037
  158    HG3  LYS  17           HG1      LYS  17  31.318  18.850  21.815
  159    HD2  LYS  17           HD2      LYS  17  31.579  19.626  18.844
  160    HD3  LYS  17           HD1      LYS  17  32.600  20.313  20.153
  161    HE2  LYS  17           HE2      LYS  17  33.379  17.963  20.732
  162    HE3  LYS  17           HE1      LYS  17  32.422  17.336  19.325
  163    HZ1  LYS  17           HZ1      LYS  17  33.816  19.305  18.196
  164    HZ2  LYS  17           HZ2      LYS  17  34.323  17.687  18.272
  165    HZ3  LYS  17           HZ3      LYS  17  34.912  18.816  19.396
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1  25.039   1.667  36.792
    2    H2   ALA   1           HT2      ALA   1  24.832   2.629  35.406
    3    H3   ALA   1           HT3      ALA   1  23.976   2.991  36.827
    4    HA   ALA   1           HA       ALA   1  25.551   4.426  37.272
    5    HB1  ALA   1           HB1      ALA   1  27.642   3.465  38.327
    6    HB2  ALA   1           HB2      ALA   1  27.221   1.858  37.617
    7    HB3  ALA   1           HB3      ALA   1  26.157   2.597  38.871
    8    H    MET   2           HN       MET   2  26.887   1.897  35.050
    9    HA   MET   2           HA       MET   2  28.218   4.107  33.641
   10    HB2  MET   2           HB2      MET   2  29.362   1.273  34.004
   11    HB3  MET   2           HB1      MET   2  30.077   2.589  33.007
   12    HG2  MET   2           HG2      MET   2  29.694   2.669  36.063
   13    HG3  MET   2           HG1      MET   2  31.225   2.274  35.220
   14    HE1  MET   2           HE1      MET   2  30.765   4.467  37.491
   15    HE2  MET   2           HE2      MET   2  31.915   5.709  36.883
   16    HE3  MET   2           HE3      MET   2  32.325   3.963  36.750
   17    H    ARG   3           HN       ARG   3  28.726   3.546  31.431
   18    HA   ARG   3           HA       ARG   3  27.657   1.498  30.021
   19    HB2  ARG   3           HB2      ARG   3  25.350   2.189  30.589
   20    HB3  ARG   3           HB1      ARG   3  25.843   3.924  30.440
   21    HG2  ARG   3           HG2      ARG   3  26.094   3.774  28.067
   22    HG3  ARG   3           HG1      ARG   3  25.938   1.984  28.076
   23    HD2  ARG   3           HD2      ARG   3  23.807   3.066  27.276
   24    HD3  ARG   3           HD1      ARG   3  23.528   2.213  28.856
   25    HE   ARG   3           HE       ARG   3  23.229   4.321  29.906
   26   HH11  ARG   3          HH11      ARG   3  24.497   4.685  26.593
   27   HH12  ARG   3          HH12      ARG   3  24.250   6.397  26.524
   28   HH21  ARG   3          HH21      ARG   3  22.894   6.645  29.808
   29   HH22  ARG   3          HH22      ARG   3  23.325   7.530  28.383
   30    H    LEU   4           HN       LEU   4  28.053   4.821  30.672
   31    HA   LEU   4           HA       LEU   4  28.325   5.987  28.334
   32    HB2  LEU   4           HB2      LEU   4  29.908   6.513  30.921
   33    HB3  LEU   4           HB1      LEU   4  29.856   7.663  29.545
   34    HG   LEU   4           HG       LEU   4  27.920   7.195  31.720
   35   HD11  LEU   4          HD11      LEU   4  28.024   9.461  31.734
   36   HD12  LEU   4          HD12      LEU   4  27.382   9.557  30.052
   37   HD13  LEU   4          HD13      LEU   4  29.154   9.388  30.329
   38   HD21  LEU   4          HD21      LEU   4  26.898   6.944  28.850
   39   HD22  LEU   4          HD22      LEU   4  25.945   7.918  30.025
   40   HD23  LEU   4          HD23      LEU   4  26.302   6.187  30.377
   41    H    SER   5           HN       SER   5  29.329   5.005  26.706
   42    HA   SER   5           HA       SER   5  31.938   3.803  27.081
   43    HB2  SER   5           HB2      SER   5  31.659   3.253  24.529
   44    HB3  SER   5           HB1      SER   5  30.548   2.429  25.692
   45    HG   SER   5           HG       SER   5  29.058   3.270  24.543
   46    H    DPP   6           HN       DPP   6  30.944   5.636  24.077
   47    HA   DPP   6           HA       DPP   6  33.574   6.777  23.947
   48    HB2  DPP   6           HB2      DPP   6  31.790   6.305  21.904
   49    HB3  DPP   6           HB3      DPP   6  32.964   7.664  21.790
   50    H    PHE   7           HN       PHE   7  32.126   7.365  26.477
   51    HA   PHE   7           HA       PHE   7  30.703   9.628  26.071
   52    HB2  PHE   7           HB2      PHE   7  31.225   8.290  28.484
   53    HB3  PHE   7           HB1      PHE   7  31.423  10.100  28.658
   54    HD1  PHE   7           HD1      PHE   7  29.174   7.465  27.588
   55    HD2  PHE   7           HD2      PHE   7  29.768  11.579  28.096
   56    HE1  PHE   7           HE1      PHE   7  26.820   7.874  27.233
   57    HE2  PHE   7           HE2      PHE   7  27.456  11.983  27.709
   58    HZ   PHE   7           HZ       PHE   7  26.051  10.120  27.347
   59    H    PHE   8           HN       PHE   8  30.561  11.309  26.446
   60    HA   PHE   8           HA       PHE   8  30.762  13.247  26.575
   61    HB2  PHE   8           HB2      PHE   8  33.470  12.638  27.812
   62    HB3  PHE   8           HB1      PHE   8  33.170  14.353  27.234
   63    HD1  PHE   8           HD1      PHE   8  32.070  11.697  29.445
   64    HD2  PHE   8           HD2      PHE   8  31.316  15.472  27.751
   65    HE1  PHE   8           HE1      PHE   8  29.981  11.789  30.653
   66    HE2  PHE   8           HE2      PHE   8  29.278  15.657  28.944
   67    HZ   PHE   8           HZ       PHE   8  28.578  13.814  30.438
   68    H    ARG   9           HN       ARG   9  30.850  14.745  25.694
   69    HA   ARG   9           HA       ARG   9  30.628  15.901  24.117
   70    HB2  ARG   9           HB2      ARG   9  33.411  15.324  23.067
   71    HB3  ARG   9           HB1      ARG   9  32.445  16.810  22.761
   72    HG2  ARG   9           HG2      ARG   9  33.316  17.787  24.609
   73    HG3  ARG   9           HG1      ARG   9  32.606  16.487  25.642
   74    HD2  ARG   9           HD2      ARG   9  35.399  16.498  24.299
   75    HD3  ARG   9           HD1      ARG   9  35.000  16.464  26.080
   76    HE   ARG   9           HE       ARG   9  33.666  14.248  24.806
   77   HH11  ARG   9          HH11      ARG   9  36.946  15.481  25.587
   78   HH12  ARG   9          HH12      ARG   9  37.674  13.917  25.725
   79   HH21  ARG   9          HH21      ARG   9  34.680  12.121  24.997
   80   HH22  ARG   9          HH22      ARG   9  36.364  11.972  25.383
   81    H    GLN  10           HN       GLN  10  29.236  13.853  23.789
   82    HA   GLN  10           HA       GLN  10  29.216  13.497  21.064
   83    HB2  GLN  10           HB2      GLN  10  31.152  12.170  21.303
   84    HB3  GLN  10           HB1      GLN  10  30.703  11.823  23.014
   85    HG2  GLN  10           HG2      GLN  10  29.045  10.133  22.249
   86    HG3  GLN  10           HG1      GLN  10  29.406  10.490  20.522
   87   HE21  GLN  10          HE21      GLN  10  30.052   8.031  22.671
   88    H    PHE  11           HN       PHE  11  27.851  13.509  24.068
   89    HA   PHE  11           HA       PHE  11  25.587  11.895  23.196
   90    HB2  PHE  11           HB2      PHE  11  26.869  12.220  25.875
   91    HB3  PHE  11           HB1      PHE  11  25.429  11.155  25.530
   92    HD1  PHE  11           HD1      PHE  11  28.868  11.985  24.695
   93    HD2  PHE  11           HD2      PHE  11  25.821   9.029  24.940
   94    HE1  PHE  11           HE1      PHE  11  30.473  10.239  24.297
   95    HE2  PHE  11           HE2      PHE  11  27.441   7.261  24.579
   96    HZ   PHE  11           HZ       PHE  11  29.799   7.839  24.232
   97    H    ILE  12           HN       ILE  12  27.142  14.053  25.183
   98    HA   ILE  12           HA       ILE  12  24.899  15.245  26.283
   99    HB   ILE  12           HB       ILE  12  27.726  16.124  26.461
  100   HG12  ILE  12          HG12      ILE  12  27.773  14.278  28.353
  101   HG13  ILE  12          HG11      ILE  12  26.716  13.496  27.174
  102   HG21  ILE  12          HG21      ILE  12  27.142  16.682  28.792
  103   HG22  ILE  12          HG22      ILE  12  25.602  15.748  28.691
  104   HG23  ILE  12          HG23      ILE  12  25.789  17.284  27.760
  105   HD11  ILE  12          HD11      ILE  12  29.535  14.407  26.788
  106   HD12  ILE  12          HD12      ILE  12  28.480  14.304  25.367
  107   HD13  ILE  12          HD13      ILE  12  28.802  12.827  26.363
  108    H    LEU  13           HN       LEU  13  27.315  15.261  24.191
  109    HA   LEU  13           HA       LEU  13  27.109  18.010  23.503
  110    HB2  LEU  13           HB2      LEU  13  28.845  15.778  24.243
  111    HB3  LEU  13           HB1      LEU  13  29.512  16.866  22.906
  112    HG   LEU  13           HG       LEU  13  30.093  18.513  24.389
  113   HD11  LEU  13          HD11      LEU  13  27.802  19.399  24.523
  114   HD12  LEU  13          HD12      LEU  13  28.520  19.399  26.180
  115   HD13  LEU  13          HD13      LEU  13  27.332  18.128  25.706
  116   HD21  LEU  13          HD21      LEU  13  29.920  15.998  25.821
  117   HD22  LEU  13          HD22      LEU  13  29.459  17.311  26.969
  118   HD23  LEU  13          HD23      LEU  13  31.045  17.373  26.106
  119    H    GLN  14           HN       GLN  14  25.353  16.601  22.249
  120    HA   GLN  14           HA       GLN  14  26.613  16.076  19.650
  121    HB2  GLN  14           HB2      GLN  14  24.656  14.292  19.506
  122    HB3  GLN  14           HB1      GLN  14  26.198  13.849  20.391
  123    HG2  GLN  14           HG2      GLN  14  25.279  14.416  22.516
  124    HG3  GLN  14           HG1      GLN  14  23.807  15.173  21.788
  125   HE21  GLN  14          HE21      GLN  14  25.397  12.080  20.720
  126   HE22  GLN  14          HE22      GLN  14  24.027  11.067  21.032
  127    H    ARG  15           HN       ARG  15  23.896  17.017  21.626
  128    HA   ARG  15           HA       ARG  15  22.341  17.568  19.321
  129    HB2  ARG  15           HB2      ARG  15  20.555  18.120  20.881
  130    HB3  ARG  15           HB1      ARG  15  21.374  16.618  21.448
  131    HG2  ARG  15           HG2      ARG  15  22.906  18.257  22.839
  132    HG3  ARG  15           HG1      ARG  15  21.598  19.457  22.554
  133    HD2  ARG  15           HD2      ARG  15  21.125  18.382  24.710
  134    HD3  ARG  15           HD1      ARG  15  19.932  17.694  23.518
  135    HE   ARG  15           HE       ARG  15  22.381  16.100  23.635
  136   HH11  ARG  15          HH11      ARG  15  19.313  16.860  25.277
  137   HH12  ARG  15          HH12      ARG  15  19.164  15.313  26.042
  138   HH21  ARG  15          HH21      ARG  15  22.185  14.002  24.672
  139   HH22  ARG  15          HH22      ARG  15  20.824  13.659  25.691
  140    H    LYS  16           HN       LYS  16  24.631  19.110  21.375
  141    HA   LYS  16           HA       LYS  16  23.645  21.770  20.627
  142    HB2  LYS  16           HB2      LYS  16  25.937  21.011  22.537
  143    HB3  LYS  16           HB1      LYS  16  25.202  22.648  22.334
  144    HG2  LYS  16           HG2      LYS  16  23.023  21.752  23.198
  145    HG3  LYS  16           HG1      LYS  16  23.807  20.150  23.422
  146    HD2  LYS  16           HD2      LYS  16  25.428  21.161  25.037
  147    HD3  LYS  16           HD1      LYS  16  24.655  22.768  24.812
  148    HE2  LYS  16           HE2      LYS  16  22.498  21.870  25.733
  149    HE3  LYS  16           HE1      LYS  16  23.272  20.245  25.953
  150    HZ1  LYS  16           HZ1      LYS  16  24.406  20.953  27.714
  151    HZ2  LYS  16           HZ2      LYS  16  23.189  22.134  27.807
  152    HZ3  LYS  16           HZ3      LYS  16  24.687  22.511  27.101
  153    H    LYS  17           HN       LYS  17  25.979  19.305  20.421
  154    HA   LYS  17           HA       LYS  17  27.624  20.972  18.629
  155    HB2  LYS  17           HB2      LYS  17  28.281  18.531  20.346
  156    HB3  LYS  17           HB1      LYS  17  29.378  19.092  19.031
  157    HG2  LYS  17           HG2      LYS  17  29.547  21.336  20.160
  158    HG3  LYS  17           HG1      LYS  17  28.486  20.736  21.483
  159    HD2  LYS  17           HD2      LYS  17  30.168  18.968  22.033
  160    HD3  LYS  17           HD1      LYS  17  31.224  19.553  20.702
  161    HE2  LYS  17           HE2      LYS  17  31.446  21.779  21.848
  162    HE3  LYS  17           HE1      LYS  17  30.377  21.190  23.189
  163    HZ1  LYS  17           HZ1      LYS  17  32.487  19.361  22.667
  164    HZ2  LYS  17           HZ2      LYS  17  32.079  20.182  24.096
  165    HZ3  LYS  17           HZ3      LYS  17  33.102  20.916  22.957
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1  27.942   1.666  37.082
    2    H2   ALA   1           HT2      ALA   1  26.347   1.106  37.258
    3    H3   ALA   1           HT3      ALA   1  27.072   2.009  38.500
    4    HA   ALA   1           HA       ALA   1  25.491   2.954  36.505
    5    HB1  ALA   1           HB1      ALA   1  25.867   3.985  38.775
    6    HB2  ALA   1           HB2      ALA   1  26.077   5.205  37.463
    7    HB3  ALA   1           HB3      ALA   1  27.524   4.473  38.256
    8    H    MET   2           HN       MET   2  27.272   1.679  34.838
    9    HA   MET   2           HA       MET   2  28.502   3.991  33.515
   10    HB2  MET   2           HB2      MET   2  29.771   1.202  33.821
   11    HB3  MET   2           HB1      MET   2  30.346   2.476  32.686
   12    HG2  MET   2           HG2      MET   2  30.871   3.982  34.569
   13    HG3  MET   2           HG1      MET   2  30.185   2.814  35.741
   14    HE1  MET   2           HE1      MET   2  34.125   2.803  33.402
   15    HE2  MET   2           HE2      MET   2  32.637   3.789  33.191
   16    HE3  MET   2           HE3      MET   2  32.720   2.129  32.506
   17    H    ARG   3           HN       ARG   3  28.946   3.538  31.257
   18    HA   ARG   3           HA       ARG   3  27.875   1.520  29.802
   19    HB2  ARG   3           HB2      ARG   3  25.572   2.112  30.478
   20    HB3  ARG   3           HB1      ARG   3  26.012   3.865  30.414
   21    HG2  ARG   3           HG2      ARG   3  26.173   3.864  28.028
   22    HG3  ARG   3           HG1      ARG   3  26.071   2.072  27.935
   23    HD2  ARG   3           HD2      ARG   3  23.880   3.085  27.280
   24    HD3  ARG   3           HD1      ARG   3  23.686   2.204  28.861
   25    HE   ARG   3           HE       ARG   3  24.397   4.983  29.328
   26   HH11  ARG   3          HH11      ARG   3  21.768   2.827  28.271
   27   HH12  ARG   3          HH12      ARG   3  20.490   3.858  28.822
   28   HH21  ARG   3          HH21      ARG   3  22.660   6.389  30.079
   29   HH22  ARG   3          HH22      ARG   3  21.008   5.918  29.867
   30    H    LEU   4           HN       LEU   4  28.202   4.824  30.587
   31    HA   LEU   4           HA       LEU   4  28.352   6.084  28.281
   32    HB2  LEU   4           HB2      LEU   4  29.996   6.585  30.835
   33    HB3  LEU   4           HB1      LEU   4  29.848   7.780  29.503
   34    HG   LEU   4           HG       LEU   4  28.018   7.163  31.730
   35   HD11  LEU   4          HD11      LEU   4  27.294   9.546  30.187
   36   HD12  LEU   4          HD12      LEU   4  29.086   9.452  30.333
   37   HD13  LEU   4          HD13      LEU   4  28.058   9.428  31.816
   38   HD21  LEU   4          HD21      LEU   4  26.379   6.135  30.437
   39   HD22  LEU   4          HD22      LEU   4  26.895   6.929  28.901
   40   HD23  LEU   4          HD23      LEU   4  25.951   7.856  30.120
   41    H    SER   5           HN       SER   5  29.347   5.166  26.600
   42    HA   SER   5           HA       SER   5  32.042   4.112  26.903
   43    HB2  SER   5           HB2      SER   5  30.118   4.064  24.505
   44    HB3  SER   5           HB1      SER   5  31.771   3.326  24.502
   45    HG   SER   5           HG       SER   5  29.874   2.722  26.512
   46    H    DPP   6           HN       DPP   6  30.706   5.925  23.988
   47    HA   DPP   6           HA       DPP   6  33.278   7.168  23.673
   48    HB2  DPP   6           HB2      DPP   6  31.370   6.635  21.754
   49    HB3  DPP   6           HB3      DPP   6  32.485   8.036  21.571
   50    H    PHE   7           HN       PHE   7  31.988   7.647  26.305
   51    HA   PHE   7           HA       PHE   7  30.439   9.849  26.027
   52    HB2  PHE   7           HB2      PHE   7  31.152   8.494  28.380
   53    HB3  PHE   7           HB1      PHE   7  31.292  10.307  28.577
   54    HD1  PHE   7           HD1      PHE   7  29.095   7.611  27.556
   55    HD2  PHE   7           HD2      PHE   7  29.545  11.727  28.169
   56    HE1  PHE   7           HE1      PHE   7  26.709   7.929  27.339
   57    HE2  PHE   7           HE2      PHE   7  27.200  12.043  27.918
   58    HZ   PHE   7           HZ       PHE   7  25.854  10.133  27.572
   59    H    PHE   8           HN       PHE   8  30.247  11.522  26.449
   60    HA   PHE   8           HA       PHE   8  30.384  13.468  26.611
   61    HB2  PHE   8           HB2      PHE   8  33.193  12.937  27.648
   62    HB3  PHE   8           HB1      PHE   8  32.788  14.652  27.138
   63    HD1  PHE   8           HD1      PHE   8  31.943  11.899  29.347
   64    HD2  PHE   8           HD2      PHE   8  30.942  15.683  27.816
   65    HE1  PHE   8           HE1      PHE   8  29.941  11.880  30.695
   66    HE2  PHE   8           HE2      PHE   8  28.986  15.762  29.145
   67    HZ   PHE   8           HZ       PHE   8  28.456  13.855  30.638
   68    H    ARG   9           HN       ARG   9  30.348  14.984  25.760
   69    HA   ARG   9           HA       ARG   9  29.986  16.174  24.216
   70    HB2  ARG   9           HB2      ARG   9  32.700  15.685  22.954
   71    HB3  ARG   9           HB1      ARG   9  31.695  17.165  22.789
   72    HG2  ARG   9           HG2      ARG   9  32.676  18.085  24.614
   73    HG3  ARG   9           HG1      ARG   9  32.128  16.703  25.636
   74    HD2  ARG   9           HD2      ARG   9  34.755  16.873  24.001
   75    HD3  ARG   9           HD1      ARG   9  34.564  16.795  25.816
   76    HE   ARG   9           HE       ARG   9  33.169  14.557  24.632
   77   HH11  ARG   9          HH11      ARG   9  36.466  15.884  25.139
   78   HH12  ARG   9          HH12      ARG   9  37.250  14.341  25.185
   79   HH21  ARG   9          HH21      ARG   9  34.258  12.463  24.700
   80   HH22  ARG   9          HH22      ARG   9  35.973  12.361  24.931
   81    H    GLN  10           HN       GLN  10  28.691  14.033  23.973
   82    HA   GLN  10           HA       GLN  10  28.480  13.743  21.246
   83    HB2  GLN  10           HB2      GLN  10  30.490  12.500  21.325
   84    HB3  GLN  10           HB1      GLN  10  30.166  12.091  23.050
   85    HG2  GLN  10           HG2      GLN  10  28.528  10.359  22.346
   86    HG3  GLN  10           HG1      GLN  10  28.769  10.768  20.609
   87   HE21  GLN  10          HE21      GLN  10  29.623   8.283  22.639
   88    H    PHE  11           HN       PHE  11  27.299  13.719  24.296
   89    HA   PHE  11           HA       PHE  11  25.037  12.055  23.536
   90    HB2  PHE  11           HB2      PHE  11  26.477  12.306  26.144
   91    HB3  PHE  11           HB1      PHE  11  25.052  11.208  25.839
   92    HD1  PHE  11           HD1      PHE  11  28.414  12.176  24.877
   93    HD2  PHE  11           HD2      PHE  11  25.475   9.118  25.128
   94    HE1  PHE  11           HE1      PHE  11  30.054  10.507  24.333
   95    HE2  PHE  11           HE2      PHE  11  27.133   7.420  24.621
   96    HZ   PHE  11           HZ       PHE  11  29.455   8.090  24.200
   97    H    ILE  12           HN       ILE  12  26.670  14.230  25.459
   98    HA   ILE  12           HA       ILE  12  24.470  15.233  26.810
   99    HB   ILE  12           HB       ILE  12  27.268  16.224  26.803
  100   HG12  ILE  12          HG12      ILE  12  27.482  14.316  28.630
  101   HG13  ILE  12          HG11      ILE  12  26.376  13.551  27.486
  102   HG21  ILE  12          HG21      ILE  12  25.422  17.302  28.274
  103   HG22  ILE  12          HG22      ILE  12  26.838  16.673  29.198
  104   HG23  ILE  12          HG23      ILE  12  25.301  15.730  29.152
  105   HD11  ILE  12          HD11      ILE  12  28.003  14.457  25.609
  106   HD12  ILE  12          HD12      ILE  12  28.425  12.966  26.539
  107   HD13  ILE  12          HD13      ILE  12  29.136  14.553  26.973
  108    H    LEU  13           HN       LEU  13  26.699  15.507  24.533
  109    HA   LEU  13           HA       LEU  13  26.401  18.302  24.094
  110    HB2  LEU  13           HB2      LEU  13  28.194  15.998  24.452
  111    HB3  LEU  13           HB1      LEU  13  28.728  17.193  23.133
  112    HG   LEU  13           HG       LEU  13  29.473  18.715  24.692
  113   HD11  LEU  13          HD11      LEU  13  28.052  19.384  26.743
  114   HD12  LEU  13          HD12      LEU  13  26.788  18.252  26.126
  115   HD13  LEU  13          HD13      LEU  13  27.285  19.672  25.135
  116   HD21  LEU  13          HD21      LEU  13  29.077  17.384  27.222
  117   HD22  LEU  13          HD22      LEU  13  30.549  17.371  26.173
  118   HD23  LEU  13          HD23      LEU  13  29.290  16.104  25.971
  119    H    GLN  14           HN       GLN  14  25.748  15.281  22.925
  120    HA   GLN  14           HA       GLN  14  26.409  15.146  20.318
  121    HB2  GLN  14           HB2      GLN  14  24.027  14.063  20.114
  122    HB3  GLN  14           HB1      GLN  14  25.222  13.318  21.270
  123    HG2  GLN  14           HG2      GLN  14  24.310  14.709  23.139
  124    HG3  GLN  14           HG1      GLN  14  23.097  15.431  22.013
  125   HE21  GLN  14          HE21      GLN  14  21.274  14.537  23.148
  126   HE22  GLN  14          HE22      GLN  14  20.876  12.855  23.064
  127    H    ARG  15           HN       ARG  15  23.979  17.197  21.778
  128    HA   ARG  15           HA       ARG  15  22.640  17.657  19.348
  129    HB2  ARG  15           HB2      ARG  15  21.248  19.190  20.641
  130    HB3  ARG  15           HB1      ARG  15  21.544  17.687  21.592
  131    HG2  ARG  15           HG2      ARG  15  23.456  18.836  22.770
  132    HG3  ARG  15           HG1      ARG  15  23.057  20.351  21.893
  133    HD2  ARG  15           HD2      ARG  15  20.759  20.367  22.950
  134    HD3  ARG  15           HD1      ARG  15  21.191  18.856  23.868
  135    HE   ARG  15           HE       ARG  15  23.232  20.832  24.332
  136   HH11  ARG  15          HH11      ARG  15  19.792  20.159  24.963
  137   HH12  ARG  15          HH12      ARG  15  19.739  21.020  26.464
  138   HH21  ARG  15          HH21      ARG  15  23.162  22.004  26.375
  139   HH22  ARG  15          HH22      ARG  15  21.688  22.088  27.280
  140    H    LYS  16           HN       LYS  16  25.459  19.057  20.865
  141    HA   LYS  16           HA       LYS  16  25.081  21.428  19.184
  142    HB2  LYS  16           HB2      LYS  16  25.188  22.353  21.367
  143    HB3  LYS  16           HB1      LYS  16  26.251  21.026  21.958
  144    HG2  LYS  16           HG2      LYS  16  28.150  21.949  20.652
  145    HG3  LYS  16           HG1      LYS  16  27.103  23.263  20.019
  146    HD2  LYS  16           HD2      LYS  16  27.638  22.797  23.016
  147    HD3  LYS  16           HD1      LYS  16  28.636  23.881  21.989
  148    HE2  LYS  16           HE2      LYS  16  26.552  25.231  21.444
  149    HE3  LYS  16           HE1      LYS  16  25.613  24.175  22.580
  150    HZ1  LYS  16           HZ1      LYS  16  27.387  26.343  23.123
  151    HZ2  LYS  16           HZ2      LYS  16  27.815  24.950  23.995
  152    HZ3  LYS  16           HZ3      LYS  16  26.244  25.582  24.121
  153    H    LYS  17           HN       LYS  17  27.107  18.920  20.497
  154    HA   LYS  17           HA       LYS  17  29.120  19.537  18.432
  155    HB2  LYS  17           HB2      LYS  17  29.249  18.092  21.123
  156    HB3  LYS  17           HB1      LYS  17  30.575  17.955  19.905
  157    HG2  LYS  17           HG2      LYS  17  30.849  20.459  19.955
  158    HG3  LYS  17           HG1      LYS  17  29.554  20.564  21.195
  159    HD2  LYS  17           HD2      LYS  17  30.924  19.175  22.754
  160    HD3  LYS  17           HD1      LYS  17  32.216  19.045  21.512
  161    HE2  LYS  17           HE2      LYS  17  32.537  21.538  21.576
  162    HE3  LYS  17           HE1      LYS  17  31.229  21.669  22.824
  163    HZ1  LYS  17           HZ1      LYS  17  33.770  21.447  23.415
  164    HZ2  LYS  17           HZ2      LYS  17  33.407  19.790  23.338
  165    HZ3  LYS  17           HZ3      LYS  17  32.544  20.801  24.395
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1  27.074   1.414  38.383
    2    H2   ALA   1           HT2      ALA   1  27.751   1.153  36.847
    3    H3   ALA   1           HT3      ALA   1  26.069   1.047  37.063
    4    HA   ALA   1           HA       ALA   1  25.773   3.187  36.817
    5    HB1  ALA   1           HB1      ALA   1  28.299   3.628  38.529
    6    HB2  ALA   1           HB2      ALA   1  26.611   3.555  39.165
    7    HB3  ALA   1           HB3      ALA   1  27.108   4.908  38.080
    8    H    MET   2           HN       MET   2  26.885   1.881  34.696
    9    HA   MET   2           HA       MET   2  28.383   4.011  33.497
   10    HB2  MET   2           HB2      MET   2  30.227   2.581  32.648
   11    HB3  MET   2           HB1      MET   2  30.313   2.741  34.442
   12    HG2  MET   2           HG2      MET   2  29.174   0.513  34.675
   13    HG3  MET   2           HG1      MET   2  29.125   0.357  32.892
   14    HE1  MET   2           HE1      MET   2  32.046   1.329  31.781
   15    HE2  MET   2           HE2      MET   2  30.753   0.145  31.390
   16    HE3  MET   2           HE3      MET   2  32.447  -0.414  31.608
   17    H    ARG   3           HN       ARG   3  28.877   3.476  31.230
   18    HA   ARG   3           HA       ARG   3  27.773   1.510  29.783
   19    HB2  ARG   3           HB2      ARG   3  25.466   2.100  30.450
   20    HB3  ARG   3           HB1      ARG   3  25.906   3.854  30.387
   21    HG2  ARG   3           HG2      ARG   3  26.070   3.859  28.006
   22    HG3  ARG   3           HG1      ARG   3  25.985   2.067  27.906
   23    HD2  ARG   3           HD2      ARG   3  23.665   3.809  28.995
   24    HD3  ARG   3           HD1      ARG   3  23.796   3.258  27.265
   25    HE   ARG   3           HE       ARG   3  24.107   0.956  28.938
   26   HH11  ARG   3          HH11      ARG   3  21.703   3.442  28.088
   27   HH12  ARG   3          HH12      ARG   3  20.328   2.421  28.342
   28   HH21  ARG   3          HH21      ARG   3  22.239  -0.435  29.285
   29   HH22  ARG   3          HH22      ARG   3  20.639   0.177  29.035
   30    H    LEU   4           HN       LEU   4  28.092   4.812  30.567
   31    HA   LEU   4           HA       LEU   4  28.256   6.062  28.252
   32    HB2  LEU   4           HB2      LEU   4  29.850   6.590  30.831
   33    HB3  LEU   4           HB1      LEU   4  29.716   7.775  29.491
   34    HG   LEU   4           HG       LEU   4  27.842   7.144  31.681
   35   HD11  LEU   4          HD11      LEU   4  28.934   9.441  30.324
   36   HD12  LEU   4          HD12      LEU   4  27.854   9.411  31.769
   37   HD13  LEU   4          HD13      LEU   4  27.146   9.525  30.115
   38   HD21  LEU   4          HD21      LEU   4  26.254   6.099  30.334
   39   HD22  LEU   4          HD22      LEU   4  26.787   6.927  28.821
   40   HD23  LEU   4          HD23      LEU   4  25.806   7.819  30.037
   41    H    SER   5           HN       SER   5  29.282   5.147  26.593
   42    HA   SER   5           HA       SER   5  31.967   4.094  26.926
   43    HB2  SER   5           HB2      SER   5  30.255   2.803  25.568
   44    HB3  SER   5           HB1      SER   5  30.245   4.158  24.376
   45    HG   SER   5           HG       SER   5  32.191   2.245  24.949
   46    H    DPP   6           HN       DPP   6  30.767   5.926  23.971
   47    HA   DPP   6           HA       DPP   6  33.330   7.195  23.781
   48    HB2  DPP   6           HB2      DPP   6  31.496   6.680  21.788
   49    HB3  DPP   6           HB3      DPP   6  32.612   8.087  21.663
   50    H    PHE   7           HN       PHE   7  31.952   7.654  26.371
   51    HA   PHE   7           HA       PHE   7  30.406   9.853  26.057
   52    HB2  PHE   7           HB2      PHE   7  31.048   8.482  28.421
   53    HB3  PHE   7           HB1      PHE   7  31.172  10.294  28.637
   54    HD1  PHE   7           HD1      PHE   7  29.016   7.595  27.529
   55    HD2  PHE   7           HD2      PHE   7  29.437  11.711  28.179
   56    HE1  PHE   7           HE1      PHE   7  26.637   7.910  27.239
   57    HE2  PHE   7           HE2      PHE   7  27.101  12.023  27.857
   58    HZ   PHE   7           HZ       PHE   7  25.772  10.112  27.457
   59    H    PHE   8           HN       PHE   8  30.196  11.523  26.483
   60    HA   PHE   8           HA       PHE   8  30.322  13.467  26.667
   61    HB2  PHE   8           HB2      PHE   8  33.096  12.936  27.792
   62    HB3  PHE   8           HB1      PHE   8  32.706  14.653  27.280
   63    HD1  PHE   8           HD1      PHE   8  31.790  11.884  29.439
   64    HD2  PHE   8           HD2      PHE   8  30.836  15.680  27.904
   65    HE1  PHE   8           HE1      PHE   8  29.744  11.854  30.719
   66    HE2  PHE   8           HE2      PHE   8  28.836  15.745  29.168
   67    HZ   PHE   8           HZ       PHE   8  28.260  13.827  30.626
   68    H    ARG   9           HN       ARG   9  30.316  14.995  25.831
   69    HA   ARG   9           HA       ARG   9  29.993  16.191  24.285
   70    HB2  ARG   9           HB2      ARG   9  32.751  15.746  23.102
   71    HB3  ARG   9           HB1      ARG   9  31.739  17.223  22.937
   72    HG2  ARG   9           HG2      ARG   9  32.668  18.112  24.802
   73    HG3  ARG   9           HG1      ARG   9  32.086  16.716  25.785
   74    HD2  ARG   9           HD2      ARG   9  34.766  16.910  24.241
   75    HD3  ARG   9           HD1      ARG   9  34.516  16.807  26.046
   76    HE   ARG   9           HE       ARG   9  33.164  14.584  24.782
   77   HH11  ARG   9          HH11      ARG   9  36.436  15.908  25.438
   78   HH12  ARG   9          HH12      ARG   9  37.221  14.366  25.493
   79   HH21  ARG   9          HH21      ARG   9  34.254  12.491  24.863
   80   HH22  ARG   9          HH22      ARG   9  35.959  12.388  25.161
   81    H    GLN  10           HN       GLN  10  28.719  14.051  23.979
   82    HA   GLN  10           HA       GLN  10  28.601  13.776  21.244
   83    HB2  GLN  10           HB2      GLN  10  30.610  12.539  21.389
   84    HB3  GLN  10           HB1      GLN  10  30.223  12.114  23.096
   85    HG2  GLN  10           HG2      GLN  10  28.619  10.386  22.319
   86    HG3  GLN  10           HG1      GLN  10  28.915  10.813  20.597
   87   HE21  GLN  10          HE21      GLN  10  29.714   8.314  22.637
   88    H    PHE  11           HN       PHE  11  27.315  13.724  24.256
   89    HA   PHE  11           HA       PHE  11  25.085  12.059  23.407
   90    HB2  PHE  11           HB2      PHE  11  26.435  12.293  26.064
   91    HB3  PHE  11           HB1      PHE  11  25.024  11.194  25.703
   92    HD1  PHE  11           HD1      PHE  11  28.413  12.177  24.860
   93    HD2  PHE  11           HD2      PHE  11  25.474   9.113  24.992
   94    HE1  PHE  11           HE1      PHE  11  30.073  10.516  24.356
   95    HE2  PHE  11           HE2      PHE  11  27.152   7.421  24.528
   96    HZ   PHE  11           HZ       PHE  11  29.485   8.099  24.186
   97    H    ILE  12           HN       ILE  12  26.644  14.220  25.402
   98    HA   ILE  12           HA       ILE  12  24.398  15.213  26.682
   99    HB   ILE  12           HB       ILE  12  27.192  16.215  26.768
  100   HG12  ILE  12          HG12      ILE  12  27.356  14.300  28.594
  101   HG13  ILE  12          HG11      ILE  12  26.289  13.535  27.414
  102   HG21  ILE  12          HG21      ILE  12  25.197  15.685  29.082
  103   HG22  ILE  12          HG22      ILE  12  25.246  17.247  28.180
  104   HG23  ILE  12          HG23      ILE  12  26.686  16.705  29.121
  105   HD11  ILE  12          HD11      ILE  12  27.972  14.458  25.593
  106   HD12  ILE  12          HD12      ILE  12  28.366  12.962  26.526
  107   HD13  ILE  12          HD13      ILE  12  29.061  14.546  26.993
  108    H    LEU  13           HN       LEU  13  26.698  15.493  24.480
  109    HA   LEU  13           HA       LEU  13  26.403  18.283  24.011
  110    HB2  LEU  13           HB2      LEU  13  28.193  15.993  24.448
  111    HB3  LEU  13           HB1      LEU  13  28.768  17.190  23.147
  112    HG   LEU  13           HG       LEU  13  29.437  18.726  24.728
  113   HD11  LEU  13          HD11      LEU  13  27.215  19.646  25.089
  114   HD12  LEU  13          HD12      LEU  13  27.942  19.389  26.721
  115   HD13  LEU  13          HD13      LEU  13  26.717  18.229  26.081
  116   HD21  LEU  13          HD21      LEU  13  29.236  16.115  26.013
  117   HD22  LEU  13          HD22      LEU  13  28.980  17.402  27.248
  118   HD23  LEU  13          HD23      LEU  13  30.480  17.391  26.242
  119    H    GLN  14           HN       GLN  14  25.736  15.281  22.856
  120    HA   GLN  14           HA       GLN  14  26.492  15.122  20.266
  121    HB2  GLN  14           HB2      GLN  14  24.112  14.054  20.000
  122    HB3  GLN  14           HB1      GLN  14  25.265  13.304  21.196
  123    HG2  GLN  14           HG2      GLN  14  24.306  14.720  23.028
  124    HG3  GLN  14           HG1      GLN  14  23.132  15.439  21.858
  125   HE21  GLN  14          HE21      GLN  14  21.259  14.569  22.910
  126   HE22  GLN  14          HE22      GLN  14  20.856  12.888  22.841
  127    H    ARG  15           HN       ARG  15  24.027  17.177  21.671
  128    HA   ARG  15           HA       ARG  15  22.859  17.711  19.140
  129    HB2  ARG  15           HB2      ARG  15  21.270  19.074  20.394
  130    HB3  ARG  15           HB1      ARG  15  21.548  17.524  21.274
  131    HG2  ARG  15           HG2      ARG  15  23.491  18.875  22.486
  132    HG3  ARG  15           HG1      ARG  15  22.575  20.320  21.934
  133    HD2  ARG  15           HD2      ARG  15  21.312  18.018  23.583
  134    HD3  ARG  15           HD1      ARG  15  21.931  19.579  24.286
  135    HE   ARG  15           HE       ARG  15  20.138  20.242  22.159
  136   HH11  ARG  15          HH11      ARG  15  20.162  18.628  25.332
  137   HH12  ARG  15          HH12      ARG  15  18.530  19.049  25.732
  138   HH21  ARG  15          HH21      ARG  15  17.919  20.816  22.700
  139   HH22  ARG  15          HH22      ARG  15  17.233  20.314  24.209
  140    H    LYS  16           HN       LYS  16  25.447  19.004  21.041
  141    HA   LYS  16           HA       LYS  16  25.121  21.637  19.784
  142    HB2  LYS  16           HB2      LYS  16  27.203  20.802  21.877
  143    HB3  LYS  16           HB1      LYS  16  26.755  22.481  21.395
  144    HG2  LYS  16           HG2      LYS  16  24.438  22.068  22.330
  145    HG3  LYS  16           HG1      LYS  16  25.004  20.454  22.886
  146    HD2  LYS  16           HD2      LYS  16  26.831  21.642  24.222
  147    HD3  LYS  16           HD1      LYS  16  26.065  23.205  23.782
  148    HE2  LYS  16           HE2      LYS  16  24.665  20.915  25.324
  149    HE3  LYS  16           HE1      LYS  16  25.346  22.425  26.060
  150    HZ1  LYS  16           HZ1      LYS  16  23.781  23.374  24.091
  151    HZ2  LYS  16           HZ2      LYS  16  23.320  23.192  25.715
  152    HZ3  LYS  16           HZ3      LYS  16  22.910  22.000  24.576
  153    H    LYS  17           HN       LYS  17  27.036  18.820  20.308
  154    HA   LYS  17           HA       LYS  17  29.181  19.742  18.592
  155    HB2  LYS  17           HB2      LYS  17  28.518  17.142  20.036
  156    HB3  LYS  17           HB1      LYS  17  29.781  17.143  18.752
  157    HG2  LYS  17           HG2      LYS  17  29.806  19.022  21.192
  158    HG3  LYS  17           HG1      LYS  17  30.641  17.432  21.139
  159    HD2  LYS  17           HD2      LYS  17  31.962  18.227  19.137
  160    HD3  LYS  17           HD1      LYS  17  31.165  19.832  19.275
  161    HE2  LYS  17           HE2      LYS  17  32.145  20.129  21.570
  162    HE3  LYS  17           HE1      LYS  17  32.946  18.508  21.432
  163    HZ1  LYS  17           HZ1      LYS  17  34.289  19.269  19.717
  164    HZ2  LYS  17           HZ2      LYS  17  34.291  20.531  20.855
  165    HZ3  LYS  17           HZ3      LYS  17  33.359  20.663  19.440
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1  27.208  -0.655  36.211
    2    H2   ALA   1           HT2      ALA   1  28.825  -0.135  36.189
    3    H3   ALA   1           HT3      ALA   1  27.825   0.142  34.843
    4    HA   ALA   1           HA       ALA   1  26.426   1.297  36.803
    5    HB1  ALA   1           HB1      ALA   1  29.421   1.859  37.280
    6    HB2  ALA   1           HB2      ALA   1  28.326   0.987  38.420
    7    HB3  ALA   1           HB3      ALA   1  28.061   2.739  38.076
    8    H    MET   2           HN       MET   2  29.393   1.899  34.791
    9    HA   MET   2           HA       MET   2  28.027   4.312  33.779
   10    HB2  MET   2           HB2      MET   2  30.938   3.392  33.547
   11    HB3  MET   2           HB1      MET   2  30.241   4.812  32.697
   12    HG2  MET   2           HG2      MET   2  29.756   5.927  34.845
   13    HG3  MET   2           HG1      MET   2  30.291   4.482  35.759
   14    HE1  MET   2           HE1      MET   2  32.071   6.329  32.494
   15    HE2  MET   2           HE2      MET   2  32.682   7.685  33.503
   16    HE3  MET   2           HE3      MET   2  30.926   7.302  33.483
   17    H    ARG   3           HN       ARG   3  26.783   3.797  32.195
   18    HA   ARG   3           HA       ARG   3  27.457   1.780  30.375
   19    HB2  ARG   3           HB2      ARG   3  25.087   2.462  30.719
   20    HB3  ARG   3           HB1      ARG   3  25.556   4.164  30.335
   21    HG2  ARG   3           HG2      ARG   3  26.037   3.625  28.035
   22    HG3  ARG   3           HG1      ARG   3  25.842   1.857  28.331
   23    HD2  ARG   3           HD2      ARG   3  23.406   2.141  28.742
   24    HD3  ARG   3           HD1      ARG   3  23.570   3.950  28.618
   25    HE   ARG   3           HE       ARG   3  24.638   2.870  26.215
   26   HH11  ARG   3          HH11      ARG   3  21.569   2.940  28.020
   27   HH12  ARG   3          HH12      ARG   3  20.560   2.846  26.614
   28   HH21  ARG   3          HH21      ARG   3  23.267   2.742  24.300
   29   HH22  ARG   3          HH22      ARG   3  21.544   2.730  24.464
   30    H    LEU   4           HN       LEU   4  27.508   5.181  30.710
   31    HA   LEU   4           HA       LEU   4  28.004   6.279  28.484
   32    HB2  LEU   4           HB2      LEU   4  29.608   6.804  31.058
   33    HB3  LEU   4           HB1      LEU   4  29.518   7.959  29.685
   34    HG   LEU   4           HG       LEU   4  27.629   7.461  31.898
   35   HD11  LEU   4          HD11      LEU   4  27.036   9.831  30.272
   36   HD12  LEU   4          HD12      LEU   4  28.816   9.673  30.485
   37   HD13  LEU   4          HD13      LEU   4  27.737   9.725  31.930
   38   HD21  LEU   4          HD21      LEU   4  26.560   7.185  29.056
   39   HD22  LEU   4          HD22      LEU   4  25.629   8.202  30.212
   40   HD23  LEU   4          HD23      LEU   4  25.969   6.475  30.607
   41    H    SER   5           HN       SER   5  29.002   5.328  26.844
   42    HA   SER   5           HA       SER   5  31.633   4.150  27.220
   43    HB2  SER   5           HB2      SER   5  31.327   3.539  24.685
   44    HB3  SER   5           HB1      SER   5  30.253   2.713  25.882
   45    HG   SER   5           HG       SER   5  28.760   3.474  24.664
   46    H    DPP   6           HN       DPP   6  30.512   5.927  24.221
   47    HA   DPP   6           HA       DPP   6  33.112   7.122  24.003
   48    HB2  DPP   6           HB2      DPP   6  31.279   6.589  22.017
   49    HB3  DPP   6           HB3      DPP   6  32.421   7.971  21.854
   50    H    PHE   7           HN       PHE   7  31.748   7.704  26.572
   51    HA   PHE   7           HA       PHE   7  30.252   9.925  26.184
   52    HB2  PHE   7           HB2      PHE   7  30.868   8.626  28.595
   53    HB3  PHE   7           HB1      PHE   7  31.037  10.441  28.745
   54    HD1  PHE   7           HD1      PHE   7  28.818   7.758  27.738
   55    HD2  PHE   7           HD2      PHE   7  29.331  11.882  28.243
   56    HE1  PHE   7           HE1      PHE   7  26.447   8.116  27.440
   57    HE2  PHE   7           HE2      PHE   7  27.002  12.234  27.914
   58    HZ   PHE   7           HZ       PHE   7  25.629  10.342  27.583
   59    H    PHE   8           HN       PHE   8  30.080  11.614  26.550
   60    HA   PHE   8           HA       PHE   8  30.249  13.562  26.664
   61    HB2  PHE   8           HB2      PHE   8  33.015  13.008  27.802
   62    HB3  PHE   8           HB1      PHE   8  32.659  14.715  27.233
   63    HD1  PHE   8           HD1      PHE   8  31.693  12.041  29.490
   64    HD2  PHE   8           HD2      PHE   8  30.814  15.799  27.823
   65    HE1  PHE   8           HE1      PHE   8  29.650  12.099  30.775
   66    HE2  PHE   8           HE2      PHE   8  28.820  15.952  29.088
   67    HZ   PHE   8           HZ       PHE   8  28.207  14.099  30.615
   68    H    ARG   9           HN       ARG   9  30.267  15.054  25.770
   69    HA   ARG   9           HA       ARG   9  29.977  16.207  24.183
   70    HB2  ARG   9           HB2      ARG   9  32.722  15.627  23.027
   71    HB3  ARG   9           HB1      ARG   9  31.752  17.119  22.776
   72    HG2  ARG   9           HG2      ARG   9  32.688  18.083  24.602
   73    HG3  ARG   9           HG1      ARG   9  32.076  16.748  25.650
   74    HD2  ARG   9           HD2      ARG   9  34.763  16.812  24.107
   75    HD3  ARG   9           HD1      ARG   9  34.505  16.800  25.915
   76    HE   ARG   9           HE       ARG   9  33.114  14.547  24.752
   77   HH11  ARG   9          HH11      ARG   9  36.407  15.836  25.364
   78   HH12  ARG   9          HH12      ARG   9  37.161  14.282  25.495
   79   HH21  ARG   9          HH21      ARG   9  34.163  12.438  24.933
   80   HH22  ARG   9          HH22      ARG   9  35.863  12.316  25.245
   81    H    GLN  10           HN       GLN  10  28.652  14.078  23.961
   82    HA   GLN  10           HA       GLN  10  28.516  13.720  21.237
   83    HB2  GLN  10           HB2      GLN  10  30.500  12.446  21.410
   84    HB3  GLN  10           HB1      GLN  10  30.119  12.091  23.135
   85    HG2  GLN  10           HG2      GLN  10  28.473  10.366  22.428
   86    HG3  GLN  10           HG1      GLN  10  28.773  10.723  20.689
   87   HE21  GLN  10          HE21      GLN  10  29.525   8.282  22.813
   88    H    PHE  11           HN       PHE  11  27.244  13.802  24.247
   89    HA   PHE  11           HA       PHE  11  24.978  12.152  23.469
   90    HB2  PHE  11           HB2      PHE  11  26.344  12.461  26.109
   91    HB3  PHE  11           HB1      PHE  11  24.910  11.377  25.797
   92    HD1  PHE  11           HD1      PHE  11  28.315  12.259  24.903
   93    HD2  PHE  11           HD2      PHE  11  25.316   9.260  25.165
   94    HE1  PHE  11           HE1      PHE  11  29.939  10.546  24.454
   95    HE2  PHE  11           HE2      PHE  11  26.957   7.519  24.756
   96    HZ   PHE  11           HZ       PHE  11  29.301   8.136  24.376
   97    H    ILE  12           HN       ILE  12  26.588  14.361  25.374
   98    HA   ILE  12           HA       ILE  12  24.365  15.436  26.627
   99    HB   ILE  12           HB       ILE  12  27.178  16.379  26.680
  100   HG12  ILE  12          HG12      ILE  12  27.301  14.522  28.566
  101   HG13  ILE  12          HG11      ILE  12  26.217  13.744  27.412
  102   HG21  ILE  12          HG21      ILE  12  26.681  16.895  29.053
  103   HG22  ILE  12          HG22      ILE  12  25.121  15.991  28.973
  104   HG23  ILE  12          HG23      ILE  12  25.317  17.536  28.061
  105   HD11  ILE  12          HD11      ILE  12  29.011  14.677  26.954
  106   HD12  ILE  12          HD12      ILE  12  27.922  14.568  25.562
  107   HD13  ILE  12          HD13      ILE  12  28.284  13.093  26.546
  108    H    LEU  13           HN       LEU  13  26.672  15.616  24.419
  109    HA   LEU  13           HA       LEU  13  26.440  18.405  23.903
  110    HB2  LEU  13           HB2      LEU  13  28.176  16.074  24.368
  111    HB3  LEU  13           HB1      LEU  13  28.774  17.228  23.040
  112    HG   LEU  13           HG       LEU  13  29.496  18.774  24.588
  113   HD11  LEU  13          HD11      LEU  13  26.762  18.387  25.949
  114   HD12  LEU  13          HD12      LEU  13  27.311  19.776  24.940
  115   HD13  LEU  13          HD13      LEU  13  28.025  19.513  26.578
  116   HD21  LEU  13          HD21      LEU  13  30.500  17.451  26.136
  117   HD22  LEU  13          HD22      LEU  13  29.233  16.196  25.914
  118   HD23  LEU  13          HD23      LEU  13  28.994  17.503  27.132
  119    H    GLN  14           HN       GLN  14  25.766  15.367  22.780
  120    HA   GLN  14           HA       GLN  14  26.500  15.196  20.186
  121    HB2  GLN  14           HB2      GLN  14  24.130  14.100  19.939
  122    HB3  GLN  14           HB1      GLN  14  25.297  13.374  21.136
  123    HG2  GLN  14           HG2      GLN  14  24.331  14.788  22.959
  124    HG3  GLN  14           HG1      GLN  14  23.146  15.490  21.793
  125   HE21  GLN  14          HE21      GLN  14  21.287  14.611  22.863
  126   HE22  GLN  14          HE22      GLN  14  20.898  12.925  22.802
  127    H    ARG  15           HN       ARG  15  24.066  17.274  21.581
  128    HA   ARG  15           HA       ARG  15  22.734  17.703  19.147
  129    HB2  ARG  15           HB2      ARG  15  21.406  19.337  20.408
  130    HB3  ARG  15           HB1      ARG  15  21.628  17.827  21.367
  131    HG2  ARG  15           HG2      ARG  15  23.481  18.847  22.643
  132    HG3  ARG  15           HG1      ARG  15  23.379  20.344  21.659
  133    HD2  ARG  15           HD2      ARG  15  21.049  19.279  23.407
  134    HD3  ARG  15           HD1      ARG  15  22.233  20.560  23.928
  135    HE   ARG  15           HE       ARG  15  21.181  21.364  21.401
  136   HH11  ARG  15          HH11      ARG  15  20.089  20.698  24.725
  137   HH12  ARG  15          HH12      ARG  15  18.783  21.835  24.689
  138   HH21  ARG  15          HH21      ARG  15  19.404  22.911  21.350
  139   HH22  ARG  15          HH22      ARG  15  18.387  23.113  22.737
  140    H    LYS  16           HN       LYS  16  25.591  19.085  20.607
  141    HA   LYS  16           HA       LYS  16  25.271  21.396  18.833
  142    HB2  LYS  16           HB2      LYS  16  25.323  22.369  21.015
  143    HB3  LYS  16           HB1      LYS  16  26.438  21.093  21.631
  144    HG2  LYS  16           HG2      LYS  16  28.297  22.033  20.326
  145    HG3  LYS  16           HG1      LYS  16  27.210  23.250  19.572
  146    HD2  LYS  16           HD2      LYS  16  26.854  24.367  21.716
  147    HD3  LYS  16           HD1      LYS  16  27.679  23.044  22.609
  148    HE2  LYS  16           HE2      LYS  16  29.191  25.009  22.396
  149    HE3  LYS  16           HE1      LYS  16  29.845  23.631  21.414
  150    HZ1  LYS  16           HZ1      LYS  16  29.411  26.139  20.538
  151    HZ2  LYS  16           HZ2      LYS  16  28.018  25.341  19.985
  152    HZ3  LYS  16           HZ3      LYS  16  29.556  24.762  19.557
  153    H    LYS  17           HN       LYS  17  27.275  18.975  20.346
  154    HA   LYS  17           HA       LYS  17  29.359  19.497  18.334
  155    HB2  LYS  17           HB2      LYS  17  29.335  18.060  21.034
  156    HB3  LYS  17           HB1      LYS  17  30.723  17.924  19.888
  157    HG2  LYS  17           HG2      LYS  17  31.003  20.423  19.960
  158    HG3  LYS  17           HG1      LYS  17  29.639  20.533  21.124
  159    HD2  LYS  17           HD2      LYS  17  30.917  19.110  22.746
  160    HD3  LYS  17           HD1      LYS  17  32.285  19.021  21.584
  161    HE2  LYS  17           HE2      LYS  17  31.184  21.640  22.812
  162    HE3  LYS  17           HE1      LYS  17  32.660  20.754  23.380
  163    HZ1  LYS  17           HZ1      LYS  17  33.729  21.944  21.901
  164    HZ2  LYS  17           HZ2      LYS  17  32.310  22.510  21.162
  165    HZ3  LYS  17           HZ3      LYS  17  32.986  21.029  20.679
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1  26.602   1.144  37.298
    2    H2   ALA   1           HT2      ALA   1  27.259   2.148  38.501
    3    H3   ALA   1           HT3      ALA   1  28.154   1.808  37.098
    4    HA   ALA   1           HA       ALA   1  25.618   2.897  36.475
    5    HB1  ALA   1           HB1      ALA   1  25.940   4.046  38.701
    6    HB2  ALA   1           HB2      ALA   1  26.043   5.218  37.333
    7    HB3  ALA   1           HB3      ALA   1  27.549   4.634  38.135
    8    H    MET   2           HN       MET   2  27.452   1.678  34.843
    9    HA   MET   2           HA       MET   2  28.602   4.004  33.462
   10    HB2  MET   2           HB2      MET   2  29.871   1.205  33.641
   11    HB3  MET   2           HB1      MET   2  30.459   2.567  32.623
   12    HG2  MET   2           HG2      MET   2  30.334   2.524  35.700
   13    HG3  MET   2           HG1      MET   2  31.804   2.288  34.705
   14    HE1  MET   2           HE1      MET   2  32.763   3.654  33.203
   15    HE2  MET   2           HE2      MET   2  32.887   5.446  33.277
   16    HE3  MET   2           HE3      MET   2  31.576   4.675  32.320
   17    H    ARG   3           HN       ARG   3  28.992   3.562  31.200
   18    HA   ARG   3           HA       ARG   3  27.890   1.542  29.762
   19    HB2  ARG   3           HB2      ARG   3  25.603   2.148  30.478
   20    HB3  ARG   3           HB1      ARG   3  26.052   3.899  30.413
   21    HG2  ARG   3           HG2      ARG   3  26.170   3.908  28.025
   22    HG3  ARG   3           HG1      ARG   3  26.055   2.117  27.925
   23    HD2  ARG   3           HD2      ARG   3  23.788   3.888  29.074
   24    HD3  ARG   3           HD1      ARG   3  23.872   3.349  27.338
   25    HE   ARG   3           HE       ARG   3  24.182   1.028  28.983
   26   HH11  ARG   3          HH11      ARG   3  21.801   3.565  28.224
   27   HH12  ARG   3          HH12      ARG   3  20.415   2.562  28.495
   28   HH21  ARG   3          HH21      ARG   3  22.299  -0.338  29.352
   29   HH22  ARG   3          HH22      ARG   3  20.704   0.305  29.147
   30    H    LEU   4           HN       LEU   4  28.239   4.845  30.542
   31    HA   LEU   4           HA       LEU   4  28.350   6.111  28.244
   32    HB2  LEU   4           HB2      LEU   4  30.048   6.595  30.762
   33    HB3  LEU   4           HB1      LEU   4  29.870   7.798  29.442
   34    HG   LEU   4           HG       LEU   4  28.085   7.158  31.702
   35   HD11  LEU   4          HD11      LEU   4  27.348   9.560  30.181
   36   HD12  LEU   4          HD12      LEU   4  29.139   9.459  30.331
   37   HD13  LEU   4          HD13      LEU   4  28.108   9.423  31.810
   38   HD21  LEU   4          HD21      LEU   4  26.419   6.150  30.430
   39   HD22  LEU   4          HD22      LEU   4  26.908   6.958  28.892
   40   HD23  LEU   4          HD23      LEU   4  25.990   7.875  30.139
   41    H    SER   5           HN       SER   5  29.303   5.242  26.527
   42    HA   SER   5           HA       SER   5  31.988   4.153  26.726
   43    HB2  SER   5           HB2      SER   5  31.582   3.653  24.177
   44    HB3  SER   5           HB1      SER   5  30.602   2.730  25.385
   45    HG   SER   5           HG       SER   5  28.966   3.525  24.428
   46    H    DPP   6           HN       DPP   6  30.689   6.016  23.854
   47    HA   DPP   6           HA       DPP   6  33.239   7.303  23.582
   48    HB2  DPP   6           HB2      DPP   6  31.338   6.798  21.653
   49    HB3  DPP   6           HB3      DPP   6  32.432   8.219  21.504
   50    H    PHE   7           HN       PHE   7  31.972   7.735  26.229
   51    HA   PHE   7           HA       PHE   7  30.397   9.924  26.000
   52    HB2  PHE   7           HB2      PHE   7  31.150   8.540  28.323
   53    HB3  PHE   7           HB1      PHE   7  31.267  10.352  28.548
   54    HD1  PHE   7           HD1      PHE   7  29.093   7.643  27.505
   55    HD2  PHE   7           HD2      PHE   7  29.502  11.754  28.178
   56    HE1  PHE   7           HE1      PHE   7  26.702   7.937  27.315
   57    HE2  PHE   7           HE2      PHE   7  27.152  12.046  27.957
   58    HZ   PHE   7           HZ       PHE   7  25.824  10.129  27.592
   59    H    PHE   8           HN       PHE   8  30.191  11.588  26.445
   60    HA   PHE   8           HA       PHE   8  30.304  13.531  26.638
   61    HB2  PHE   8           HB2      PHE   8  33.130  13.022  27.638
   62    HB3  PHE   8           HB1      PHE   8  32.699  14.739  27.154
   63    HD1  PHE   8           HD1      PHE   8  31.905  11.945  29.329
   64    HD2  PHE   8           HD2      PHE   8  30.849  15.743  27.868
   65    HE1  PHE   8           HE1      PHE   8  29.917  11.884  30.697
   66    HE2  PHE   8           HE2      PHE   8  28.905  15.779  29.219
   67    HZ   PHE   8           HZ       PHE   8  28.411  13.844  30.684
   68    H    ARG   9           HN       ARG   9  30.250  15.066  25.818
   69    HA   ARG   9           HA       ARG   9  29.841  16.267  24.300
   70    HB2  ARG   9           HB2      ARG   9  32.548  15.876  22.993
   71    HB3  ARG   9           HB1      ARG   9  31.502  17.333  22.872
   72    HG2  ARG   9           HG2      ARG   9  32.501  18.239  24.692
   73    HG3  ARG   9           HG1      ARG   9  31.965  16.842  25.701
   74    HD2  ARG   9           HD2      ARG   9  34.595  17.074  24.080
   75    HD3  ARG   9           HD1      ARG   9  34.393  16.930  25.889
   76    HE   ARG   9           HE       ARG   9  33.030  14.717  24.641
   77   HH11  ARG   9          HH11      ARG   9  36.317  16.071  25.145
   78   HH12  ARG   9          HH12      ARG   9  37.123  14.539  25.117
   79   HH21  ARG   9          HH21      ARG   9  34.149  12.640  24.604
   80   HH22  ARG   9          HH22      ARG   9  35.869  12.552  24.804
   81    H    GLN  10           HN       GLN  10  28.580  14.116  24.028
   82    HA   GLN  10           HA       GLN  10  28.348  13.868  21.295
   83    HB2  GLN  10           HB2      GLN  10  30.371  12.650  21.342
   84    HB3  GLN  10           HB1      GLN  10  30.064  12.210  23.062
   85    HG2  GLN  10           HG2      GLN  10  28.443  10.467  22.341
   86    HG3  GLN  10           HG1      GLN  10  28.665  10.910  20.610
   87   HE21  GLN  10          HE21      GLN  10  29.572   8.400  22.590
   88    H    PHE  11           HN       PHE  11  27.195  13.765  24.362
   89    HA   PHE  11           HA       PHE  11  24.950  12.086  23.590
   90    HB2  PHE  11           HB2      PHE  11  26.407  12.319  26.191
   91    HB3  PHE  11           HB1      PHE  11  24.992  11.207  25.882
   92    HD1  PHE  11           HD1      PHE  11  28.331  12.232  24.906
   93    HD2  PHE  11           HD2      PHE  11  25.430   9.139  25.133
   94    HE1  PHE  11           HE1      PHE  11  29.985  10.591  24.318
   95    HE2  PHE  11           HE2      PHE  11  27.102   7.466  24.585
   96    HZ   PHE  11           HZ       PHE  11  29.412   8.169  24.152
   97    H    ILE  12           HN       ILE  12  26.564  14.240  25.545
   98    HA   ILE  12           HA       ILE  12  24.362  15.207  26.916
   99    HB   ILE  12           HB       ILE  12  27.145  16.244  26.889
  100   HG12  ILE  12          HG12      ILE  12  27.415  14.325  28.694
  101   HG13  ILE  12          HG11      ILE  12  26.308  13.549  27.559
  102   HG21  ILE  12          HG21      ILE  12  25.164  15.717  29.222
  103   HG22  ILE  12          HG22      ILE  12  25.350  17.308  28.390
  104   HG23  ILE  12          HG23      ILE  12  26.729  16.610  29.321
  105   HD11  ILE  12          HD11      ILE  12  27.897  14.505  25.670
  106   HD12  ILE  12          HD12      ILE  12  28.353  13.009  26.576
  107   HD13  ILE  12          HD13      ILE  12  29.046  14.601  27.020
  108    H    LEU  13           HN       LEU  13  26.573  15.520  24.625
  109    HA   LEU  13           HA       LEU  13  26.218  18.306  24.167
  110    HB2  LEU  13           HB2      LEU  13  28.063  16.052  24.550
  111    HB3  LEU  13           HB1      LEU  13  28.571  17.255  23.231
  112    HG   LEU  13           HG       LEU  13  29.267  18.804  24.783
  113   HD11  LEU  13          HD11      LEU  13  26.601  18.265  26.223
  114   HD12  LEU  13          HD12      LEU  13  27.053  19.694  25.226
  115   HD13  LEU  13          HD13      LEU  13  27.830  19.435  26.834
  116   HD21  LEU  13          HD21      LEU  13  30.387  17.513  26.278
  117   HD22  LEU  13          HD22      LEU  13  29.193  16.189  26.055
  118   HD23  LEU  13          HD23      LEU  13  28.910  17.448  27.315
  119    H    GLN  14           HN       GLN  14  25.541  15.301  23.047
  120    HA   GLN  14           HA       GLN  14  26.253  15.015  20.481
  121    HB2  GLN  14           HB2      GLN  14  23.770  14.126  20.253
  122    HB3  GLN  14           HB1      GLN  14  24.911  13.314  21.422
  123    HG2  GLN  14           HG2      GLN  14  24.105  14.756  23.279
  124    HG3  GLN  14           HG1      GLN  14  23.009  15.636  22.154
  125   HE21  GLN  14          HE21      GLN  14  23.676  12.070  22.073
  126   HE22  GLN  14          HE22      GLN  14  22.056  11.581  22.433
  127    H    ARG  15           HN       ARG  15  23.886  17.264  21.743
  128    HA   ARG  15           HA       ARG  15  22.657  17.739  19.275
  129    HB2  ARG  15           HB2      ARG  15  21.434  19.489  20.472
  130    HB3  ARG  15           HB1      ARG  15  21.565  18.017  21.504
  131    HG2  ARG  15           HG2      ARG  15  23.598  19.019  22.627
  132    HG3  ARG  15           HG1      ARG  15  23.353  20.519  21.675
  133    HD2  ARG  15           HD2      ARG  15  21.207  19.351  23.580
  134    HD3  ARG  15           HD1      ARG  15  22.392  20.646  24.040
  135    HE   ARG  15           HE       ARG  15  21.366  22.108  22.332
  136   HH11  ARG  15          HH11      ARG  15  19.652  19.056  23.045
  137   HH12  ARG  15          HH12      ARG  15  18.124  19.601  22.438
  138   HH21  ARG  15          HH21      ARG  15  19.291  22.833  21.511
  139   HH22  ARG  15          HH22      ARG  15  17.917  21.780  21.552
  140    H    LYS  16           HN       LYS  16  25.564  18.897  20.757
  141    HA   LYS  16           HA       LYS  16  25.557  21.206  18.978
  142    HB2  LYS  16           HB2      LYS  16  25.597  22.001  21.297
  143    HB3  LYS  16           HB1      LYS  16  26.823  20.757  21.734
  144    HG2  LYS  16           HG2      LYS  16  28.482  21.852  20.265
  145    HG3  LYS  16           HG1      LYS  16  27.267  23.077  19.764
  146    HD2  LYS  16           HD2      LYS  16  27.093  23.874  22.129
  147    HD3  LYS  16           HD1      LYS  16  28.286  22.631  22.641
  148    HE2  LYS  16           HE2      LYS  16  30.037  23.700  21.194
  149    HE3  LYS  16           HE1      LYS  16  28.832  24.947  20.661
  150    HZ1  LYS  16           HZ1      LYS  16  28.762  24.874  23.430
  151    HZ2  LYS  16           HZ2      LYS  16  29.397  26.085  22.423
  152    HZ3  LYS  16           HZ3      LYS  16  30.405  24.846  23.001
  153    H    LYS  17           HN       LYS  17  27.473  18.831  20.752
  154    HA   LYS  17           HA       LYS  17  29.419  17.838  20.274
  155    HB2  LYS  17           HB2      LYS  17  27.654  17.546  17.956
  156    HB3  LYS  17           HB1      LYS  17  29.372  17.536  17.418
  157    HG2  LYS  17           HG2      LYS  17  29.875  15.733  19.090
  158    HG3  LYS  17           HG1      LYS  17  28.149  15.738  19.597
  159    HD2  LYS  17           HD2      LYS  17  27.467  15.100  17.273
  160    HD3  LYS  17           HD1      LYS  17  29.192  15.099  16.765
  161    HE2  LYS  17           HE2      LYS  17  29.678  13.246  18.391
  162    HE3  LYS  17           HE1      LYS  17  27.941  13.252  18.913
  163    HZ1  LYS  17           HZ1      LYS  17  27.509  11.938  17.240
  164    HZ2  LYS  17           HZ2      LYS  17  29.128  11.965  16.730
  165    HZ3  LYS  17           HZ3      LYS  17  28.028  13.108  16.124
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1  25.780  -0.128  36.462
    2    H2   ALA   1           HT2      ALA   1  27.390  -0.452  36.034
    3    H3   ALA   1           HT3      ALA   1  26.394   0.436  34.982
    4    HA   ALA   1           HA       ALA   1  26.239   1.847  37.264
    5    HB1  ALA   1           HB1      ALA   1  28.655   2.204  37.960
    6    HB2  ALA   1           HB2      ALA   1  29.133   0.859  36.856
    7    HB3  ALA   1           HB3      ALA   1  28.094   0.522  38.292
    8    H    MET   2           HN       MET   2  28.593   1.292  34.544
    9    HA   MET   2           HA       MET   2  27.992   4.069  33.707
   10    HB2  MET   2           HB2      MET   2  30.610   2.498  33.390
   11    HB3  MET   2           HB1      MET   2  30.249   4.084  32.626
   12    HG2  MET   2           HG2      MET   2  29.912   5.034  34.989
   13    HG3  MET   2           HG1      MET   2  30.535   3.481  35.628
   14    HE1  MET   2           HE1      MET   2  32.870   2.622  33.561
   15    HE2  MET   2           HE2      MET   2  32.613   2.477  35.334
   16    HE3  MET   2           HE3      MET   2  34.140   3.184  34.703
   17    H    ARG   3           HN       ARG   3  27.058   4.194  31.918
   18    HA   ARG   3           HA       ARG   3  27.242   1.963  30.084
   19    HB2  ARG   3           HB2      ARG   3  24.921   2.680  30.438
   20    HB3  ARG   3           HB1      ARG   3  25.461   4.403  30.432
   21    HG2  ARG   3           HG2      ARG   3  25.929   4.360  28.056
   22    HG3  ARG   3           HG1      ARG   3  25.651   2.587  27.960
   23    HD2  ARG   3           HD2      ARG   3  23.370   4.368  28.970
   24    HD3  ARG   3           HD1      ARG   3  23.736   4.316  27.190
   25    HE   ARG   3           HE       ARG   3  23.600   1.626  28.304
   26   HH11  ARG   3          HH11      ARG   3  21.669   4.468  27.369
   27   HH12  ARG   3          HH12      ARG   3  20.272   3.562  26.890
   28   HH21  ARG   3          HH21      ARG   3  21.700   0.382  27.638
   29   HH22  ARG   3          HH22      ARG   3  20.294   1.198  27.043
   30    H    LEU   4           HN       LEU   4  27.754   5.251  30.820
   31    HA   LEU   4           HA       LEU   4  28.199   6.447  28.553
   32    HB2  LEU   4           HB2      LEU   4  29.773   6.817  31.171
   33    HB3  LEU   4           HB1      LEU   4  29.772   8.020  29.827
   34    HG   LEU   4           HG       LEU   4  27.870   7.621  32.027
   35   HD11  LEU   4          HD11      LEU   4  27.279   9.967  30.392
   36   HD12  LEU   4          HD12      LEU   4  29.066   9.764  30.484
   37   HD13  LEU   4          HD13      LEU   4  28.094   9.876  31.999
   38   HD21  LEU   4          HD21      LEU   4  25.862   8.382  30.345
   39   HD22  LEU   4          HD22      LEU   4  26.141   6.665  30.815
   40   HD23  LEU   4          HD23      LEU   4  26.733   7.274  29.223
   41    H    SER   5           HN       SER   5  29.199   5.495  26.916
   42    HA   SER   5           HA       SER   5  31.807   4.254  27.366
   43    HB2  SER   5           HB2      SER   5  31.471   3.480  24.878
   44    HB3  SER   5           HB1      SER   5  30.429   2.719  26.145
   45    HG   SER   5           HG       SER   5  28.786   3.558  25.231
   46    H    DPP   6           HN       DPP   6  30.565   5.920  24.337
   47    HA   DPP   6           HA       DPP   6  33.170   7.066  23.954
   48    HB2  DPP   6           HB2      DPP   6  31.229   6.499  22.083
   49    HB3  DPP   6           HB3      DPP   6  32.387   7.851  21.816
   50    H    PHE   7           HN       PHE   7  31.936   7.736  26.570
   51    HA   PHE   7           HA       PHE   7  30.447   9.965  26.188
   52    HB2  PHE   7           HB2      PHE   7  31.142   8.721  28.608
   53    HB3  PHE   7           HB1      PHE   7  31.348  10.537  28.701
   54    HD1  PHE   7           HD1      PHE   7  29.065   7.871  27.853
   55    HD2  PHE   7           HD2      PHE   7  29.640  11.991  28.233
   56    HE1  PHE   7           HE1      PHE   7  26.683   8.244  27.643
   57    HE2  PHE   7           HE2      PHE   7  27.304  12.363  27.994
   58    HZ   PHE   7           HZ       PHE   7  25.894  10.484  27.765
   59    H    PHE   8           HN       PHE   8  30.309  11.671  26.500
   60    HA   PHE   8           HA       PHE   8  30.505  13.619  26.559
   61    HB2  PHE   8           HB2      PHE   8  33.319  13.067  27.576
   62    HB3  PHE   8           HB1      PHE   8  32.948  14.763  26.981
   63    HD1  PHE   8           HD1      PHE   8  32.073  12.155  29.347
   64    HD2  PHE   8           HD2      PHE   8  31.140  15.878  27.631
   65    HE1  PHE   8           HE1      PHE   8  30.092  12.254  30.725
   66    HE2  PHE   8           HE2      PHE   8  29.208  16.076  28.983
   67    HZ   PHE   8           HZ       PHE   8  28.654  14.265  30.584
   68    H    ARG   9           HN       ARG   9  30.495  15.090  25.629
   69    HA   ARG   9           HA       ARG   9  30.117  16.197  24.027
   70    HB2  ARG   9           HB2      ARG   9  32.807  15.611  22.752
   71    HB3  ARG   9           HB1      ARG   9  31.812  17.089  22.517
   72    HG2  ARG   9           HG2      ARG   9  32.836  18.101  24.268
   73    HG3  ARG   9           HG1      ARG   9  32.271  16.795  25.378
   74    HD2  ARG   9           HD2      ARG   9  34.895  16.840  23.734
   75    HD3  ARG   9           HD1      ARG   9  34.698  16.824  25.548
   76    HE   ARG   9           HE       ARG   9  33.265  14.572  24.476
   77   HH11  ARG   9          HH11      ARG   9  36.595  15.866  24.801
   78   HH12  ARG   9          HH12      ARG   9  37.363  14.315  24.854
   79   HH21  ARG   9          HH21      ARG   9  34.328  12.465  24.547
   80   HH22  ARG   9          HH22      ARG   9  36.050  12.345  24.706
   81    H    GLN  10           HN       GLN  10  28.790  14.075  23.923
   82    HA   GLN  10           HA       GLN  10  28.527  13.634  21.219
   83    HB2  GLN  10           HB2      GLN  10  30.511  12.353  21.354
   84    HB3  GLN  10           HB1      GLN  10  30.192  12.047  23.101
   85    HG2  GLN  10           HG2      GLN  10  28.503  10.325  22.507
   86    HG3  GLN  10           HG1      GLN  10  28.736  10.633  20.749
   87   HE21  GLN  10          HE21      GLN  10  29.543   8.237  22.896
   88    H    PHE  11           HN       PHE  11  27.387  13.829  24.279
   89    HA   PHE  11           HA       PHE  11  25.073  12.186  23.646
   90    HB2  PHE  11           HB2      PHE  11  26.561  12.537  26.214
   91    HB3  PHE  11           HB1      PHE  11  25.099  11.466  25.991
   92    HD1  PHE  11           HD1      PHE  11  28.473  12.279  24.937
   93    HD2  PHE  11           HD2      PHE  11  25.446   9.333  25.379
   94    HE1  PHE  11           HE1      PHE  11  30.056  10.532  24.466
   95    HE2  PHE  11           HE2      PHE  11  27.044   7.558  24.946
   96    HZ   PHE  11           HZ       PHE  11  29.382   8.131  24.468
   97    H    ILE  12           HN       ILE  12  26.791  14.406  25.435
   98    HA   ILE  12           HA       ILE  12  24.641  15.548  26.758
   99    HB   ILE  12           HB       ILE  12  27.462  16.462  26.648
  100   HG12  ILE  12          HG12      ILE  12  27.660  14.653  28.574
  101   HG13  ILE  12          HG11      ILE  12  26.515  13.858  27.490
  102   HG21  ILE  12          HG21      ILE  12  25.380  16.239  28.943
  103   HG22  ILE  12          HG22      ILE  12  25.858  17.759  28.095
  104   HG23  ILE  12          HG23      ILE  12  27.054  16.884  29.124
  105   HD11  ILE  12          HD11      ILE  12  28.130  14.615  25.542
  106   HD12  ILE  12          HD12      ILE  12  28.536  13.169  26.546
  107   HD13  ILE  12          HD13      ILE  12  29.291  14.761  26.877
  108    H    LEU  13           HN       LEU  13  26.814  15.613  24.411
  109    HA   LEU  13           HA       LEU  13  26.570  18.384  23.808
  110    HB2  LEU  13           HB2      LEU  13  28.325  16.073  24.279
  111    HB3  LEU  13           HB1      LEU  13  28.858  17.168  22.876
  112    HG   LEU  13           HG       LEU  13  29.681  18.756  24.323
  113   HD11  LEU  13          HD11      LEU  13  27.001  18.498  25.814
  114   HD12  LEU  13          HD12      LEU  13  27.523  19.813  24.699
  115   HD13  LEU  13          HD13      LEU  13  28.307  19.638  26.315
  116   HD21  LEU  13          HD21      LEU  13  29.448  16.253  25.771
  117   HD22  LEU  13          HD22      LEU  13  29.231  17.602  26.944
  118   HD23  LEU  13          HD23      LEU  13  30.716  17.518  25.920
  119    H    GLN  14           HN       GLN  14  25.821  15.319  22.857
  120    HA   GLN  14           HA       GLN  14  26.445  14.973  20.264
  121    HB2  GLN  14           HB2      GLN  14  24.040  13.947  20.156
  122    HB3  GLN  14           HB1      GLN  14  25.216  13.261  21.366
  123    HG2  GLN  14           HG2      GLN  14  24.354  14.830  23.118
  124    HG3  GLN  14           HG1      GLN  14  23.153  15.485  21.935
  125   HE21  GLN  14          HE21      GLN  14  21.291  14.745  23.078
  126   HE22  GLN  14          HE22      GLN  14  20.854  13.073  23.166
  127    H    ARG  15           HN       ARG  15  24.042  17.216  21.558
  128    HA   ARG  15           HA       ARG  15  22.912  17.511  18.951
  129    HB2  ARG  15           HB2      ARG  15  21.190  18.849  20.011
  130    HB3  ARG  15           HB1      ARG  15  21.493  17.386  21.019
  131    HG2  ARG  15           HG2      ARG  15  23.011  18.701  22.500
  132    HG3  ARG  15           HG1      ARG  15  22.724  20.164  21.505
  133    HD2  ARG  15           HD2      ARG  15  21.275  20.271  23.521
  134    HD3  ARG  15           HD1      ARG  15  20.221  19.999  22.068
  135    HE   ARG  15           HE       ARG  15  19.727  17.823  22.875
  136   HH11  ARG  15          HH11      ARG  15  22.395  19.315  24.709
  137   HH12  ARG  15          HH12      ARG  15  22.422  18.107  25.949
  138   HH21  ARG  15          HH21      ARG  15  19.750  16.195  24.575
  139   HH22  ARG  15          HH22      ARG  15  20.890  16.307  25.874
  140    H    LYS  16           HN       LYS  16  25.385  19.039  20.838
  141    HA   LYS  16           HA       LYS  16  24.929  21.570  19.401
  142    HB2  LYS  16           HB2      LYS  16  26.909  20.971  21.674
  143    HB3  LYS  16           HB1      LYS  16  26.500  22.596  21.005
  144    HG2  LYS  16           HG2      LYS  16  24.141  22.306  21.817
  145    HG3  LYS  16           HG1      LYS  16  24.608  20.711  22.506
  146    HD2  LYS  16           HD2      LYS  16  26.281  21.837  23.988
  147    HD3  LYS  16           HD1      LYS  16  25.820  23.434  23.301
  148    HE2  LYS  16           HE2      LYS  16  23.485  23.147  24.183
  149    HE3  LYS  16           HE1      LYS  16  23.944  21.532  24.868
  150    HZ1  LYS  16           HZ1      LYS  16  24.105  23.865  26.160
  151    HZ2  LYS  16           HZ2      LYS  16  25.696  23.721  25.586
  152    HZ3  LYS  16           HZ3      LYS  16  25.021  22.485  26.533
  153    H    LYS  17           HN       LYS  17  26.897  18.898  20.178
  154    HA   LYS  17           HA       LYS  17  28.834  19.704  18.086
  155    HB2  LYS  17           HB2      LYS  17  29.134  18.044  20.639
  156    HB3  LYS  17           HB1      LYS  17  30.379  18.027  19.332
  157    HG2  LYS  17           HG2      LYS  17  30.671  20.504  19.589
  158    HG3  LYS  17           HG1      LYS  17  29.429  20.517  20.887
  159    HD2  LYS  17           HD2      LYS  17  30.859  18.982  22.261
  160    HD3  LYS  17           HD1      LYS  17  32.103  18.983  20.966
  161    HE2  LYS  17           HE2      LYS  17  31.145  21.504  22.484
  162    HE3  LYS  17           HE1      LYS  17  32.661  20.577  22.845
  163    HZ1  LYS  17           HZ1      LYS  17  33.613  21.828  21.342
  164    HZ2  LYS  17           HZ2      LYS  17  32.144  22.514  20.836
  165    HZ3  LYS  17           HZ3      LYS  17  32.690  21.066  20.137
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1  26.591   1.065  37.260
    2    H2   ALA   1           HT2      ALA   1  27.251   2.001  38.514
    3    H3   ALA   1           HT3      ALA   1  28.152   1.719  37.103
    4    HA   ALA   1           HA       ALA   1  25.617   2.876  36.551
    5    HB1  ALA   1           HB1      ALA   1  26.028   3.940  38.807
    6    HB2  ALA   1           HB2      ALA   1  26.124   5.155  37.475
    7    HB3  ALA   1           HB3      ALA   1  27.637   4.506  38.216
    8    H    MET   2           HN       MET   2  27.478   1.639  34.892
    9    HA   MET   2           HA       MET   2  28.566   3.989  33.501
   10    HB2  MET   2           HB2      MET   2  29.911   1.225  33.656
   11    HB3  MET   2           HB1      MET   2  30.466   2.623  32.668
   12    HG2  MET   2           HG2      MET   2  30.304   2.560  35.743
   13    HG3  MET   2           HG1      MET   2  31.791   2.303  34.778
   14    HE1  MET   2           HE1      MET   2  32.873   3.996  36.312
   15    HE2  MET   2           HE2      MET   2  31.344   4.386  37.172
   16    HE3  MET   2           HE3      MET   2  32.379   5.710  36.534
   17    H    ARG   3           HN       ARG   3  28.961   3.553  31.245
   18    HA   ARG   3           HA       ARG   3  27.895   1.503  29.820
   19    HB2  ARG   3           HB2      ARG   3  25.609   2.112  30.577
   20    HB3  ARG   3           HB1      ARG   3  26.033   3.861  30.402
   21    HG2  ARG   3           HG2      ARG   3  26.160   3.707  28.012
   22    HG3  ARG   3           HG1      ARG   3  26.015   1.914  28.039
   23    HD2  ARG   3           HD2      ARG   3  23.665   2.052  28.826
   24    HD3  ARG   3           HD1      ARG   3  23.797   3.858  29.002
   25    HE   ARG   3           HE       ARG   3  24.507   3.272  26.320
   26   HH11  ARG   3          HH11      ARG   3  21.740   2.835  28.519
   27   HH12  ARG   3          HH12      ARG   3  20.537   2.936  27.276
   28   HH21  ARG   3          HH21      ARG   3  22.873   3.408  24.628
   29   HH22  ARG   3          HH22      ARG   3  21.194   3.267  25.025
   30    H    LEU   4           HN       LEU   4  28.178   4.819  30.561
   31    HA   LEU   4           HA       LEU   4  28.285   6.069  28.256
   32    HB2  LEU   4           HB2      LEU   4  29.963   6.581  30.784
   33    HB3  LEU   4           HB1      LEU   4  29.794   7.774  29.454
   34    HG   LEU   4           HG       LEU   4  27.986   7.143  31.696
   35   HD11  LEU   4          HD11      LEU   4  27.264   9.529  30.133
   36   HD12  LEU   4          HD12      LEU   4  29.051   9.438  30.333
   37   HD13  LEU   4          HD13      LEU   4  27.979   9.410  31.785
   38   HD21  LEU   4          HD21      LEU   4  26.363   6.096  30.387
   39   HD22  LEU   4          HD22      LEU   4  26.840   6.947  28.868
   40   HD23  LEU   4          HD23      LEU   4  25.897   7.818  30.129
   41    H    SER   5           HN       SER   5  29.249   5.174  26.554
   42    HA   SER   5           HA       SER   5  31.927   4.092  26.763
   43    HB2  SER   5           HB2      SER   5  31.549   3.618  24.207
   44    HB3  SER   5           HB1      SER   5  30.539   2.699  25.393
   45    HG   SER   5           HG       SER   5  28.944   3.510  24.375
   46    H    DPP   6           HN       DPP   6  30.701   5.977  23.880
   47    HA   DPP   6           HA       DPP   6  33.265   7.246  23.665
   48    HB2  DPP   6           HB2      DPP   6  31.404   6.755  21.697
   49    HB3  DPP   6           HB3      DPP   6  32.509   8.170  21.571
   50    H    PHE   7           HN       PHE   7  31.944   7.684  26.283
   51    HA   PHE   7           HA       PHE   7  30.389   9.884  26.024
   52    HB2  PHE   7           HB2      PHE   7  31.089   8.494  28.359
   53    HB3  PHE   7           HB1      PHE   7  31.214  10.304  28.589
   54    HD1  PHE   7           HD1      PHE   7  29.038   7.607  27.512
   55    HD2  PHE   7           HD2      PHE   7  29.467  11.719  28.179
   56    HE1  PHE   7           HE1      PHE   7  26.652   7.919  27.280
   57    HE2  PHE   7           HE2      PHE   7  27.123  12.028  27.913
   58    HZ   PHE   7           HZ       PHE   7  25.788  10.118  27.532
   59    H    PHE   8           HN       PHE   8  30.187  11.549  26.464
   60    HA   PHE   8           HA       PHE   8  30.312  13.491  26.662
   61    HB2  PHE   8           HB2      PHE   8  33.112  12.959  27.719
   62    HB3  PHE   8           HB1      PHE   8  32.706  14.679  27.228
   63    HD1  PHE   8           HD1      PHE   8  31.846  11.892  29.386
   64    HD2  PHE   8           HD2      PHE   8  30.849  15.696  27.903
   65    HE1  PHE   8           HE1      PHE   8  29.831  11.847  30.713
   66    HE2  PHE   8           HE2      PHE   8  28.879  15.749  29.214
   67    HZ   PHE   8           HZ       PHE   8  28.341  13.819  30.670
   68    H    ARG   9           HN       ARG   9  30.281  15.025  25.839
   69    HA   ARG   9           HA       ARG   9  29.920  16.234  24.310
   70    HB2  ARG   9           HB2      ARG   9  32.653  15.797  23.067
   71    HB3  ARG   9           HB1      ARG   9  31.633  17.270  22.919
   72    HG2  ARG   9           HG2      ARG   9  32.593  18.166  24.765
   73    HG3  ARG   9           HG1      ARG   9  32.034  16.769  25.760
   74    HD2  ARG   9           HD2      ARG   9  34.688  16.974  24.172
   75    HD3  ARG   9           HD1      ARG   9  34.465  16.862  25.981
   76    HE   ARG   9           HE       ARG   9  33.101  14.641  24.733
   77   HH11  ARG   9          HH11      ARG   9  36.380  15.971  25.332
   78   HH12  ARG   9          HH12      ARG   9  37.172  14.431  25.363
   79   HH21  ARG   9          HH21      ARG   9  34.200  12.551  24.778
   80   HH22  ARG   9          HH22      ARG   9  35.909  12.451  25.042
   81    H    GLN  10           HN       GLN  10  28.644  14.091  24.017
   82    HA   GLN  10           HA       GLN  10  28.463  13.839  21.283
   83    HB2  GLN  10           HB2      GLN  10  30.480  12.609  21.371
   84    HB3  GLN  10           HB1      GLN  10  30.135  12.170  23.083
   85    HG2  GLN  10           HG2      GLN  10  28.519  10.440  22.330
   86    HG3  GLN  10           HG1      GLN  10  28.776  10.882  20.604
   87   HE21  GLN  10          HE21      GLN  10  29.627   8.366  22.598
   88    H    PHE  11           HN       PHE  11  27.249  13.759  24.323
   89    HA   PHE  11           HA       PHE  11  25.003  12.096  23.511
   90    HB2  PHE  11           HB2      PHE  11  26.412  12.311  26.140
   91    HB3  PHE  11           HB1      PHE  11  24.997  11.211  25.801
   92    HD1  PHE  11           HD1      PHE  11  28.363  12.211  24.889
   93    HD2  PHE  11           HD2      PHE  11  25.438   9.135  25.070
   94    HE1  PHE  11           HE1      PHE  11  30.017  10.558  24.334
   95    HE2  PHE  11           HE2      PHE  11  27.111   7.452  24.556
   96    HZ   PHE  11           HZ       PHE  11  29.433   8.140  24.161
   97    H    ILE  12           HN       ILE  12  26.604  14.240  25.492
   98    HA   ILE  12           HA       ILE  12  24.386  15.218  26.831
   99    HB   ILE  12           HB       ILE  12  27.177  16.228  26.857
  100   HG12  ILE  12          HG12      ILE  12  27.390  14.301  28.663
  101   HG13  ILE  12          HG11      ILE  12  26.298  13.542  27.504
  102   HG21  ILE  12          HG21      ILE  12  25.298  17.269  28.323
  103   HG22  ILE  12          HG22      ILE  12  26.726  16.664  29.245
  104   HG23  ILE  12          HG23      ILE  12  25.208  15.690  29.193
  105   HD11  ILE  12          HD11      ILE  12  29.056  14.564  27.020
  106   HD12  ILE  12          HD12      ILE  12  27.936  14.486  25.650
  107   HD13  ILE  12          HD13      ILE  12  28.357  12.981  26.563
  108    H    LEU  13           HN       LEU  13  26.634  15.522  24.577
  109    HA   LEU  13           HA       LEU  13  26.312  18.313  24.132
  110    HB2  LEU  13           HB2      LEU  13  28.128  16.031  24.517
  111    HB3  LEU  13           HB1      LEU  13  28.665  17.236  23.210
  112    HG   LEU  13           HG       LEU  13  29.369  18.762  24.780
  113   HD11  LEU  13          HD11      LEU  13  27.160  19.689  25.191
  114   HD12  LEU  13          HD12      LEU  13  27.914  19.418  26.809
  115   HD13  LEU  13          HD13      LEU  13  26.673  18.265  26.183
  116   HD21  LEU  13          HD21      LEU  13  30.441  17.433  26.278
  117   HD22  LEU  13          HD22      LEU  13  29.207  16.146  26.053
  118   HD23  LEU  13          HD23      LEU  13  28.954  17.420  27.304
  119    H    GLN  14           HN       GLN  14  25.693  15.286  22.973
  120    HA   GLN  14           HA       GLN  14  26.384  15.080  20.396
  121    HB2  GLN  14           HB2      GLN  14  23.952  14.101  20.158
  122    HB3  GLN  14           HB1      GLN  14  25.097  13.325  21.343
  123    HG2  GLN  14           HG2      GLN  14  24.219  14.784  23.179
  124    HG3  GLN  14           HG1      GLN  14  23.056  15.543  22.024
  125   HE21  GLN  14          HE21      GLN  14  21.140  14.760  23.023
  126   HE22  GLN  14          HE22      GLN  14  20.684  13.091  23.005
  127    H    ARG  15           HN       ARG  15  23.937  17.217  21.720
  128    HA   ARG  15           HA       ARG  15  22.718  17.687  19.238
  129    HB2  ARG  15           HB2      ARG  15  21.338  19.290  20.450
  130    HB3  ARG  15           HB1      ARG  15  21.565  17.810  21.457
  131    HG2  ARG  15           HG2      ARG  15  23.607  19.029  22.512
  132    HG3  ARG  15           HG1      ARG  15  22.972  20.522  21.738
  133    HD2  ARG  15           HD2      ARG  15  22.104  20.488  24.029
  134    HD3  ARG  15           HD1      ARG  15  20.709  20.044  22.949
  135    HE   ARG  15           HE       ARG  15  22.172  17.674  23.827
  136   HH11  ARG  15          HH11      ARG  15  19.844  20.187  24.799
  137   HH12  ARG  15          HH12      ARG  15  19.046  19.208  25.984
  138   HH21  ARG  15          HH21      ARG  15  21.092  16.343  25.444
  139   HH22  ARG  15          HH22      ARG  15  19.769  16.985  26.357
  140    H    LYS  16           HN       LYS  16  25.502  19.032  20.867
  141    HA   LYS  16           HA       LYS  16  25.317  21.375  19.119
  142    HB2  LYS  16           HB2      LYS  16  25.443  22.343  21.271
  143    HB3  LYS  16           HB1      LYS  16  26.367  20.946  21.930
  144    HG2  LYS  16           HG2      LYS  16  28.395  21.684  20.712
  145    HG3  LYS  16           HG1      LYS  16  27.489  23.055  19.982
  146    HD2  LYS  16           HD2      LYS  16  27.826  22.650  23.017
  147    HD3  LYS  16           HD1      LYS  16  28.961  23.618  22.016
  148    HE2  LYS  16           HE2      LYS  16  27.023  25.106  21.315
  149    HE3  LYS  16           HE1      LYS  16  25.944  24.166  22.429
  150    HZ1  LYS  16           HZ1      LYS  16  27.989  24.764  24.031
  151    HZ2  LYS  16           HZ2      LYS  16  26.591  25.711  23.859
  152    HZ3  LYS  16           HZ3      LYS  16  28.002  26.121  23.011
  153    H    LYS  17           HN       LYS  17  27.184  18.763  20.488
  154    HA   LYS  17           HA       LYS  17  29.354  19.334  18.594
  155    HB2  LYS  17           HB2      LYS  17  29.058  17.770  21.166
  156    HB3  LYS  17           HB1      LYS  17  30.266  17.171  19.970
  157    HG2  LYS  17           HG2      LYS  17  30.262  20.124  20.731
  158    HG3  LYS  17           HG1      LYS  17  30.949  18.926  21.879
  159    HD2  LYS  17           HD2      LYS  17  32.462  18.076  20.050
  160    HD3  LYS  17           HD1      LYS  17  31.801  19.327  18.942
  161    HE2  LYS  17           HE2      LYS  17  33.169  20.003  21.630
  162    HE3  LYS  17           HE1      LYS  17  34.040  19.939  20.041
  163    HZ1  LYS  17           HZ1      LYS  17  33.356  21.970  19.687
  164    HZ2  LYS  17           HZ2      LYS  17  32.465  21.994  21.131
  165    HZ3  LYS  17           HZ3      LYS  17  31.737  21.462  19.693