*HEADER    UNKNOWN FUNCTION                        28-AUG-18   6AK0              
*TITLE     SOLUTION NMR STRUCTURE OF A NEW LASSO PEPTIDE SPECIALICIN             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYS-LEU-GLY-VAL-GLY-SER-CYS-VAL-ASP-PHE-ALA-GLY-CYS-GLY-   
*COMPND   3 TYR-ALA-VAL-VAL-CYS-PHE-DTR;                                         
*COMPND   4 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES SPECIALIS;                         
*SOURCE   3 ORGANISM_TAXID: 498367                                               
*KEYWDS    LASSO PEPTIDE, STREPTOMYCES SPECIALIS, SPECIALICIN, UNKNOWN FUNCTION  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    H.HEMMI,S.KODANI,I.KAWEEWAN,H.KOMAKI                                  
*REVDAT   1   05-DEC-18 6AK0    0                                                
# Restraints file 1: specialicin-distance-restraints.tbl
assign (residue 2 and name HA) (residue 3 and name HN) 2.0 0.2 0.9
assign (residue 2 and name HB#) (residue 3 and name HN) 2.0 0.2 1.9
assign (residue 2 and name HB#) (residue 4 and name HN) 2.0 0.2 2.5 
assign (residue 4 and name HN) (residue 3 and name HN) 2.0 0.2 0.9
assign (residue 4 and name HA) (residue 5 and name HN) 2.0 0.2 0.9
assign (residue 5 and name HA#) (residue 6 and name HN) 2.0 0.2 1.9
assign (residue 6 and name HN) (residue 5 and name HN) 2.0 0.2 1.5
assign (residue 6 and name HN) (residue 7 and name HN) 2.0 0.2 0.9 
assign (residue 7 and name HA) (residue 8 and name HN) 2.0 0.2 0.9
assign (residue 8 and name HA) (residue 9 and name HN) 2.0 0.2 0.9
assign (residue 8 and name HA) (residue 15 and name HA) 2.0 0.2 0.5
assign (residue 8 and name HB) (residue 8 and name HN) 2.0 0.2 0.9
assign (residue 8 and name HG#) (residue 8 and name HN) 2.0 0.2 3.3
assign (residue 10 and name HA) (residue 11 and name HN) 2.0 0.2 0.9
assign (residue 10 and name HA) (residue 11 and name HA) 2.0 0.2 4.0
assign (residue 11 and name HA) (residue 12 and name HN) 2.0 0.2 0.9
assign (residue 11 and name HB#) (residue 11 and name HN) 2.0 0.2 2.4
assign (residue 15 and name HA) (residue 16 and name HN) 2.0 0.2 0.9
assign (residue 15 and name HB#) (residue 16 and name HN) 2.0 0.2 1.9
assign (residue 15 and name HB#) (residue 16 and name HA) 2.0 0.2 4.0
assign (residue 16 and name HA) (residue 17 and name HN) 2.0 0.2 0.9
assign (residue 16 and name HN) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 17 and name HG#) (residue 17 and name HN) 2.0 0.2 1.9
assign (residue 18 and name HA) (residue 19 and name HN) 2.0 0.2 0.9
assign (residue 18 and name HN) (residue 17 and name HN) 2.0 0.2 0.9
assign (residue 20 and name HN) (residue 19 and name HN) 2.0 0.2 1.5 
assign (residue 1 and name HA) (residue 2 and name HN) 2.0 0.2 0.9 
assign (residue 1 and name HN) (residue 2 and name HN) 2.0 0.2 1.5
assign (residue 2 and name HB#) (residue 2 and name HN) 2.0 0.2 1.9 
assign (residue 2 and name HB#) (residue 15 and name HB#) 2.0 0.2 5.5
assign (residue 2 and name HB#) (residue 17 and name HN) 2.0 0.2 5.0
assign (residue 2 and name HB#) (residue 17 and name HG#) 2.0 0.2 6.4
assign (residue 2 and name HG) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 2 and name HD#) (residue 17 and name HN) 2.0 0.2 6.4
assign (residue 2 and name HD#) (residue 3 and name HN) 2.0 0.2 5.4
assign (residue 2 and name HG) (residue 2 and name HN) 2.0 0.2 1.5
assign (residue 3 and name HA#) (residue 4 and name HN) 2.0 0.2 2.5
assign (residue 3 and name HA#) (residue 15 and name HD#) 2.0 0.2 4.9
assign (residue 3 and name HN) (residue 2 and name HN) 2.0 0.2 3.0
assign (residue 4 and name HB) (residue 4 and name HN) 2.0 0.2 0.9 
assign (residue 4 and name HB) (residue 5 and name HN) 2.0 0.2 1.5
assign (residue 4 and name HG#) (residue 4 and name HN) 2.0 0.2 3.3
assign (residue 4 and name HG#) (residue 5 and name HN) 2.0 0.2 3.3
assign (residue 4 and name HN) (residue 15 and name HD#) 2.0 0.2 5.4
assign (residue 4 and name HN) (residue 15 and name HE#) 2.0 0.2 6.4
assign (residue 6 and name HA) (residue 7 and name HN) 2.0 0.2 1.5
assign (residue 6 and name HB#) (residue 6 and name HN) 2.0 0.2 1.9
assign (residue 7 and name HB#) (residue 8 and name HN) 2.0 0.2 1.9 
assign (residue 7 and name HB#) (residue 7 and name HN) 2.0 0.2 1.9
assign (residue 7 and name HB#) (residue 16 and name HB#) 2.0 0.2 4.0
assign (residue 7 and name HB#) (residue 16 and name HN) 2.0 0.2 4.0
assign (residue 7 and name HN) (residue 16 and name HN) 2.0 0.2 1.5
assign (residue 7 and name HN) (residue 16 and name HA) 2.0 0.2 4.0
assign (residue 7 and name HA) (residue 16 and name HN) 2.0 0.2 4.0
assign (residue 8 and name HA) (residue 7 and name HA) 2.0 0.2 4.0
assign (residue 8 and name HB) (residue 9 and name HN) 2.0 0.2 1.5
assign (residue 8 and name HG#) (residue 7 and name HA) 2.0 0.2 5.4
assign (residue 8 and name HG#) (residue 9 and name HN) 2.0 0.2 3.9
assign (residue 8 and name HG#) (residue 10 and name HA) 2.0 0.2 3.9
assign (residue 8 and name HG#) (residue 11 and name HN) 2.0 0.2 4.4
assign (residue 8 and name HG#) (residue 15 and name HA) 2.0 0.2 3.9
assign (residue 8 and name HG#) (residue 15 and name HD#) 2.0 0.2 6.3
assign (residue 8 and name HG#) (residue 15 and name HE#) 2.0 0.2 6.3
assign (residue 9 and name HN) (residue 10 and name HN) 2.0 0.2 1.5
assign (residue 9 and name HN) (residue 16 and name HN) 2.0 0.2 1.5
assign (residue 9 and name HN) (residue 16 and name HA) 2.0 0.2 3.0
assign (residue 10 and name HB#) (residue 10 and name HN) 2.0 0.2 2.5
assign (residue 10 and name HB#) (residue 11 and name HN) 2.0 0.2 2.5
assign (residue 10 and name HN) (residue 11 and name HN) 2.0 0.2 3.0
assign (residue 11 and name HB#) (residue 12 and name HN) 2.0 0.2 3.0
assign (residue 13 and name HN) (residue 12 and name HN) 2.0 0.2 0.9 
assign (residue 10 and name HD#) (residue 12 and name HN) 2.0 0.2 5.4
assign (residue 14 and name HA#) (residue 14 and name HN) 2.0 0.2 2.5
assign (residue 14 and name HA#) (residue 15 and name HA) 2.0 0.2 4.0
assign (residue 14 and name HA#) (residue 15 and name HD#) 2.0 0.2 4.9
assign (residue 14 and name HA#) (residue 15 and name HN) 2.0 0.2 2.5
assign (residue 14 and name HN) (residue 15 and name HN) 2.0 0.2 3.0
assign (residue 14 and name HN) (residue 9 and name HN) 2.0 0.2 2.0
assign (residue 14 and name HN) (residue 10 and name HN) 2.0 0.2 1.5
assign (residue 14 and name HN) (residue 13 and name HN) 2.0 0.2 0.9 
assign (residue 15 and name HA) (residue 9 and name HN) 2.0 0.2 1.5
assign (residue 15 and name HB#) (residue 4 and name HN) 2.0 0.2 2.5
assign (residue 15 and name HB#) (residue 15 and name HN) 2.0 0.2 2.5
assign (residue 15 and name HD#) (residue 16 and name HN) 2.0 0.2 3.9
assign (residue 15 and name HN) (residue 2 and name HN) 2.0 0.2 1.5
assign (residue 15 and name HN) (residue 8 and name HA) 2.0 0.2 3.0
assign (residue 15 and name HN) (residue 16 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HB#) (residue 16 and name HN) 2.0 0.2 2.4
assign (residue 16 and name HB#) (residue 17 and name HN) 2.0 0.2 2.4
assign (residue 17 and name HA) (residue 6 and name HN) 2.0 0.2 1.5
assign (residue 17 and name HA) (residue 18 and name HN) 2.0 0.2 1.5
assign (residue 17 and name HB) (residue 17 and name HN) 2.0 0.2 1.5
assign (residue 17 and name HG#) (residue  6 and name HN) 2.0 0.2 6.4
assign (residue 17 and name HG#) (residue 17 and name HN) 2.0 0.2 3.9
assign (residue 18 and name HB) (residue 18 and name HN) 2.0 0.2 1.5
assign (residue 18 and name HB) (residue 19 and name HN) 2.0 0.2 1.5
assign (residue 18 and name HB) (residue 20 and name HN) 2.0 0.2 4.0
assign (residue 18 and name HG#) (residue 18 and name HN) 2.0 0.2 3.9
assign (residue 18 and name HG#) (residue 19 and name HN) 2.0 0.2 3.9
assign (residue 18 and name HG#) (residue 20 and name HE#) 2.0 0.2 6.4
assign (residue 18 and name HG#) (residue 20 and name HN) 2.0 0.2 3.9
assign (residue 19 and name HA) (residue 20 and name HN) 2.0 0.2 1.5
assign (residue 19 and name HB#) (residue 7 and name HB#) 2.0 0.2 4.0
assign (residue 19 and name HB#) (residue 19 and name HN) 2.0 0.2 2.5
assign (residue 19 and name HB#) (residue 20 and name HN) 2.0 0.2 3.0 
assign (residue 20 and name HA) (residue 21 and name HN) 2.0 0.2 1.5
assign (residue 20 and name HA) (residue 21 and name HB#) 2.0 0.2 4.0
assign (residue 20 and name HB#) (residue 20 and name HN) 2.0 0.2 1.9 
assign (residue 20 and name HD#) (residue 20 and name HN) 2.0 0.2 3.9
assign (residue 20 and name HN) (residue 21 and name HN) 2.0 0.2 2.0
assign (residue 21 and name HB#) (residue 21 and name HN) 2.0 0.2 2.5
assign (residue 1 and name HA) (residue 15 and name HN) 2.0 0.2 3.0
assign (residue 1 and name HB#) (residue 1 and name HN) 2.0 0.2 4.0
assign (residue 1 and name HN) (residue 15 and name HN) 2.0 0.2 3.0
assign (residue 1 and name HN) (residue 11 and name HB#) 2.0 0.2 4.5
assign (residue 2 and name HA) (residue 4 and name HN) 2.0 0.2 2.0
assign (residue 2 and name HB#) (residue 15 and name HN) 2.0 0.2 5.0
assign (residue 2 and name HG) (residue 15 and name HN) 2.0 0.2 4.0
assign (residue 2 and name HD#) (residue 2 and name HN) 2.0 0.2 5.4
assign (residue 2 and name HD#) (residue 1 and name HN) 2.0 0.2 5.4
assign (residue 2 and name HD#) (residue 4 and name HN) 2.0 0.2 5.4
assign (residue 2 and name HD#) (residue 18 and name HN) 2.0 0.2 6.4
assign (residue 2 and name HG) (residue 1 and name HN) 2.0 0.2 1.5 
assign (residue 2 and name HG) (residue 3 and name HN) 2.0 0.2 3.0
assign (residue 2 and name HG) (residue 4 and name HN) 2.0 0.2 4.0
assign (residue 3 and name HA#) (residue 15 and name HE#) 2.0 0.2 5.4
assign (residue 4 and name HG#) (residue 2 and name HB#) 2.0 0.2 6.4
assign (residue 4 and name HG#) (residue 3 and name HN) 2.0 0.2 5.4
assign (residue 4 and name HN) (residue 2 and name HN) 2.0 0.2 3.0
assign (residue 4 and name HN) (residue 5 and name HN) 2.0 0.2 3.0
assign (residue 5 and name HA#) (residue 7 and name HN) 2.0 0.2 2.5 
assign (residue 5 and name HA#) (residue 16 and name HN) 2.0 0.2 4.0
assign (residue 6 and name HB#) (residue 7 and name HN) 2.0 0.2 2.5
assign (residue 7 and name HN) (residue 8 and name HN) 2.0 0.2 3.0
assign (residue 8 and name HA) (residue 17 and name HN) 2.0 0.2 4.0
assign (residue 8 and name HB) (residue 7 and name HA) 2.0 0.2 3.0
assign (residue 8 and name HG#) (residue 9 and name HA) 2.0 0.2 5.4
assign (residue 8 and name HG#) (residue 12 and name HN) 2.0 0.2 5.4
assign (residue 8 and name HG#) (residue 16 and name HN) 2.0 0.2 5.4
assign (residue 9 and name HA) (residue 10 and name HN) 2.0 0.2 3.0
assign (residue 9 and name HA) (residue 1 and name HN) 2.0 0.2 3.0
assign (residue 9 and name HB#) (residue 1 and name HN) 2.0 0.2 4.0
assign (residue 9 and name HB#) (residue 2 and name HN) 2.0 0.2 4.0
assign (residue 9 and name HB#) (residue 9 and name HN) 2.0 0.2 4.0
assign (residue 9 and name HN) (residue 8 and name HN) 2.0 0.2 3.0
assign (residue 10 and name HD#) (residue 11 and name HN) 2.0 0.2 5.4
assign (residue 11 and name HA) (residue 13 and name HN) 2.0 0.2 4.0
assign (residue 11 and name HB#) (residue 13 and name HN) 2.0 0.2 5.5
assign (residue 11 and name HN) (residue 13 and name HN) 2.0 0.2 3.0 
assign (residue 11 and name HN) (residue 14 and name HN) 2.0 0.2 3.0
assign (residue 11 and name HB#) (residue 10 and name HA) 2.0 0.2 4.5
assign (residue 12 and name HA#) (residue 13 and name HN) 2.0 0.2 4.0
assign (residue 13 and name HA) (residue 14 and name HN) 2.0 0.2 3.0
assign (residue 13 and name HB#) (residue 13 and name HN) 2.0 0.2 1.9
assign (residue 13 and name HB#) (residue 14 and name HN) 2.0 0.2 1.9
assign (residue 14 and name HA#) (residue 15 and name HE#) 2.0 0.2 6.4
assign (residue 15 and name HA) (residue 7 and name HN) 2.0 0.2 4.0
assign (residue 15 and name HA) (residue 8 and name HN) 2.0 0.2 4.0
assign (residue 15 and name HB#) (residue 5 and name HN) 2.0 0.2 4.0
assign (residue 15 and name HB#) (residue 7 and name HN) 2.0 0.2 5.0
assign (residue 15 and name HB#) (residue 10 and name HN) 2.0 0.2 5.0
assign (residue 15 and name HB#) (residue 2 and name HN) 2.0 0.2 4.0
assign (residue 15 and name HB#) (residue 3 and name HN) 2.0 0.2 5.0
assign (residue 15 and name HD#) (residue 2 and name HN) 2.0 0.2 5.4
assign (residue 15 and name HD#) (residue 3 and name HN) 2.0 0.2 5.4
assign (residue 15 and name HD#) (residue 5 and name HN) 2.0 0.2 5.4
assign (residue 15 and name HD#) (residue 7 and name HN) 2.0 0.2 5.4 
assign (residue 15 and name HD#) (residue 8 and name HN) 2.0 0.2 6.4 
assign (residue 15 and name HB#) (residue 9 and name HN) 2.0 0.2 4.0
assign (residue 15 and name HD#) (residue 15 and name HN) 2.0 0.2 5.4
assign (residue 16 and name HA) (residue 18 and name HN) 2.0 0.2 1.5 
assign (residue 16 and name HB#) (residue 2 and name HN) 2.0 0.2 5.5
assign (residue 16 and name HB#) (residue 18 and name HB) 2.0 0.2 5.5
assign (residue 17 and name HA) (residue 7 and name HN) 2.0 0.2 2.0
assign (residue 17 and name HB) (residue 18 and name HN) 2.0 0.2 3.0
assign (residue 17 and name HB) (residue 18 and name HB) 2.0 0.2 3.0
assign (residue 17 and name HG#) (residue 5 and name HN) 2.0 0.2 5.4
assign (residue 18 and name HA) (residue 17 and name HN) 2.0 0.2 4.0
assign (residue 18 and name HB) (residue 17 and name HN) 2.0 0.2 4.0
assign (residue  8 and name HG#) (residue 7 and name HN) 2.0 0.2 6.4
assign (residue 18 and name HG#) (residue 20 and name HD#) 2.0 0.2 7.8
assign (residue 18 and name HN) (residue 19 and name HN) 2.0 0.2 3.0
assign (residue  7 and name HB#) (residue 19 and name HN) 2.0 0.2 4.0
assign (residue 20 and name HB#) (residue 21 and name HD1) 2.0 0.2 5.0
assign (residue 20 and name HB#) (residue 21 and name HN) 2.0 0.2 2.5 
assign (residue 20 and name HD#) (residue 21 and name HA) 2.0 0.2 6.4
assign (residue 20 and name HD#) (residue 21 and name HN) 2.0 0.2 5.4
assign (residue 20 and name HD#) (residue 21 and name HE1) 2.0 0.2 6.4
assign (residue 21 and name HD1) (residue 21 and name HN) 2.0 0.2 3.0
assign (residue 14 and name HN) (residue 2 and name HN) 2.0 0.2 3.0
assign (residue 9 and name HN) (residue 2 and name HN) 2.0 0.2 3.0
assign (residue 7 and name HA) (residue 15 and name HD#) 2.0 0.2 6.4
assign (residue 7 and name HA) (residue 16 and name HB#) 2.0 0.2 4.5
assign (residue 8 and name HA) (residue 16 and name HB#) 2.0 0.2 3.0
assign (residue 9 and name HA) (residue 16 and name HB#) 2.0 0.2 3.0
assign (residue 2 and name HD#) (residue 16 and name HA) 2.0 0.2 3.9
assign (residue 2 and name HD#) (residue 16 and name HN) 2.0 0.2 5.4
assign (residue 17 and name HG#) (residue 16 and name HA) 2.0 0.2 3.9 
assign (residue 15 and name HA) (residue 16 and name HB#) 2.0 0.2 4.5
assign (residue 11 and name HB#) (residue 14 and name HN) 2.0 0.2 4.5
assign (residue 8 and name HN) (residue 16 and name HB#) 2.0 0.2 3.5
assign (residue 8 and name HN) (residue 19 and name HB#) 2.0 0.2 5.0
assign (residue 2 and name HG) (residue 16 and name HA) 2.0 0.2 1.5
assign (residue 1 and name HA) (residue 14 and name HA#) 2.0 0.2 4.0
assign (residue 1 and name HA) (residue 15 and name HB#) 2.0 0.2 4.0
assign (residue 8 and name HA) (residue 9 and name HB#) 2.0 0.2 4.0
assign (residue 8 and name HA) (residue 16 and name HN) 2.0 0.2 1.0 
assign (residue 8 and name HB) (residue 15 and name HA) 2.0 0.2 3.0
assign (residue 1 and name HA) (residue 14 and name HN) 2.0 0.2 1.5
assign (residue 2 and name HB#) (residue 16 and name HA) 2.0 0.2 2.5
assign (residue 5 and name HA#) (residue 15 and name HB#) 2.0 0.2 5.0
assign (residue 5 and name HA#) (residue 15 and name HD#) 2.0 0.2 4.9
assign (residue 5 and name HA#) (residue 15 and name HE#) 2.0 0.2 5.4 
assign (residue 18 and name HA) (residue 19 and name HA) 2.0 0.2 4.0
assign (residue 18 and name HA) (residue 19 and name HB#) 2.0 0.2 4.0
assign (residue 18 and name HA) (residue 20 and name HN) 2.0 0.2 4.0
assign (residue 13 and name HN) (residue 1 and name HB#) 2.0 0.2 4.0
assign (residue 13 and name HN) (residue 8 and name HG#) 2.0 0.2 6.4
assign (residue 13 and name HN) (residue 10 and name HB#) 2.0 0.2 5.0
assign (residue 19 and name HN) (residue 20 and name HD#) 2.0 0.2 5.4
assign (residue 19 and name HN) (residue 21 and name HA) 2.0 0.2 4.0
assign (residue 21 and name HA) (residue 20 and name HN) 2.0 0.2 3.0
assign (residue 4 and name HG#) (residue 15 and name HD#) 2.0 0.2 7.8
assign (residue 9 and name HB#) (residue 11 and name HB#) 2.0 0.2 5.5
assign (residue 2 and name HD#) (residue 4 and name HG#) 2.0 0.2 7.8
assign (residue 2 and name HD#) (residue 17 and name HG#) 2.0 0.2 7.8

# Restraints file 2: specialicin-dihedral-restraints.tbl
assign (resid  1 and name C)(resid  2 and name N)
        (resid  2 and name CA)(resid  2 and name C) 1.0 -120.0 30.0 2

assign  (resid  3 and name c)(resid  4 and name n)
        (resid  4 and name ca)(resid  4 and name c) 1.0 -120.0 30.0 2

assign  (resid  5 and name c)(resid  6 and name n)
        (resid  6 and name ca)(resid  6 and name c) 1.0 -120.0 30.0 2

assign  (resid  6 and name c)(resid  7 and name n)
        (resid  7 and name ca)(resid  7 and name c) 1.0 -120.0 30.0 2

assign  (resid  7 and name c)(resid  8 and name n)
        (resid  8 and name ca)(resid  8 and name c) 1.0 -120.0 30.0 2

assign  (resid  8 and name c)(resid  9 and name n)
        (resid  9 and name ca)(resid  9 and name c) 1.0 -120.0 30.0 2

assign  (resid 14 and name c)(resid 15 and name n)
        (resid 15 and name ca)(resid 15 and name c) 1.0 -120.0 30.0 2

assign  (resid 15 and name c)(resid 16 and name n)
        (resid 16 and name ca)(resid 16 and name c) 1.0 -120.0 30.0 2

assign  (resid 16 and name c)(resid 17 and name n)
        (resid 17 and name ca)(resid 17 and name c) 1.0 -120.0 30.0 2

assign  (resid 17 and name c)(resid 18 and name n)
        (resid 18 and name ca)(resid 18 and name c) 1.0 -120.0 30.0 2

assign  (resid 18 and name c)(resid 19 and name n)
        (resid 19 and name ca)(resid 19 and name c) 1.0 -120.0 30.0 2

assign  (resid 19 and name c)(resid 20 and name n)
        (resid 20 and name ca)(resid 20 and name c) 1.0 -120.0 30.0 2

assign  (resid 20 and name c)(resid 21 and name n)
        (resid 21 and name ca)(resid 21 and name c) 1.0 -120.0 30.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H1       CYS   1  -3.900   0.402   2.728
    2    HA   CYS   1           HA       CYS   1  -5.055  -1.889   1.562
    3    HB2  CYS   1           HB2      CYS   1  -5.886  -2.519   3.639
    4    HB3  CYS   1           HB3      CYS   1  -6.000  -0.861   4.213
    5    H    LEU   2           H        LEU   2  -5.248  -0.735  -0.303
    6    HA   LEU   2           HA       LEU   2  -7.283   1.344  -0.333
    7    HB2  LEU   2           HB2      LEU   2  -4.627   1.818  -1.668
    8    HB3  LEU   2           HB3      LEU   2  -5.962   2.944  -1.508
    9    HG   LEU   2           HG       LEU   2  -4.403   1.894   0.849
   10   HD11  LEU   2          HD11      LEU   2  -3.074   3.838   0.822
   11   HD12  LEU   2          HD12      LEU   2  -4.049   4.579  -0.447
   12   HD13  LEU   2          HD13      LEU   2  -3.022   3.194  -0.819
   13   HD21  LEU   2          HD21      LEU   2  -5.665   3.240   2.146
   14   HD22  LEU   2          HD22      LEU   2  -6.833   3.051   0.838
   15   HD23  LEU   2          HD23      LEU   2  -5.807   4.484   0.904
   16    H    GLY   3           H        GLY   3  -7.664   2.050  -2.710
   17    HA2  GLY   3           HA2      GLY   3  -8.190  -0.370  -4.185
   18    HA3  GLY   3           HA3      GLY   3  -8.661   1.259  -4.646
   19    H    VAL   4           H        VAL   4  -5.419   1.323  -3.918
   20    HA   VAL   4           HA       VAL   4  -4.733   1.362  -6.748
   21    HB   VAL   4           HB       VAL   4  -2.835   1.944  -4.485
   22   HG11  VAL   4          HG11      VAL   4  -2.074   3.614  -6.343
   23   HG12  VAL   4          HG12      VAL   4  -2.953   2.520  -7.411
   24   HG13  VAL   4          HG13      VAL   4  -1.613   1.915  -6.437
   25   HG21  VAL   4          HG21      VAL   4  -4.329   3.519  -3.851
   26   HG22  VAL   4          HG22      VAL   4  -5.150   3.523  -5.412
   27   HG23  VAL   4          HG23      VAL   4  -3.636   4.405  -5.209
   28    H    GLY   5           H        GLY   5  -2.634   0.366  -7.428
   29    HA2  GLY   5           HA2      GLY   5  -2.085  -2.130  -5.961
   30    HA3  GLY   5           HA3      GLY   5  -2.386  -2.158  -7.691
   31    H    SER   6           H        SER   6  -0.533   0.321  -6.002
   32    HA   SER   6           HA       SER   6   1.756  -0.300  -7.694
   33    HB2  SER   6           HB2      SER   6   0.749   2.080  -7.063
   34    HB3  SER   6           HB3      SER   6   1.832   1.905  -5.683
   35    HG   SER   6           HG       SER   6   3.006   2.872  -7.278
   36    H    CYS   7           H        CYS   7   0.784  -0.345  -4.342
   37    HA   CYS   7           HA       CYS   7   3.032  -2.066  -3.688
   38    HB2  CYS   7           HB2      CYS   7   3.344   0.592  -3.178
   39    HB3  CYS   7           HB3      CYS   7   2.593   0.057  -1.679
   40    H    VAL   8           H        VAL   8   2.609  -1.994  -0.869
   41    HA   VAL   8           HA       VAL   8  -0.216  -2.749  -0.610
   42    HB   VAL   8           HB       VAL   8   1.948  -4.418   0.610
   43   HG11  VAL   8          HG11      VAL   8  -0.472  -5.809   0.028
   44   HG12  VAL   8          HG12      VAL   8  -0.841  -4.327   0.906
   45   HG13  VAL   8          HG13      VAL   8   0.285  -5.496   1.589
   46   HG21  VAL   8          HG21      VAL   8   0.919  -4.467  -2.152
   47   HG22  VAL   8          HG22      VAL   8   1.041  -6.027  -1.337
   48   HG23  VAL   8          HG23      VAL   8   2.470  -5.008  -1.510
   49    H    ASP   9           H        ASP   9  -1.069  -2.595   1.433
   50    HA   ASP   9           HA       ASP   9   0.501  -0.973   3.311
   51    HB2  ASP   9           HB2      ASP   9  -1.807  -0.455   4.299
   52    HB3  ASP   9           HB3      ASP   9  -1.427   0.248   2.732
   53    H    PHE  10           H        PHE  10  -0.880  -4.050   2.874
   54    HA   PHE  10           HA       PHE  10  -1.082  -5.882   4.195
   55    HB2  PHE  10           HB2      PHE  10   0.556  -4.884   6.421
   56    HB3  PHE  10           HB3      PHE  10   0.744  -6.336   5.447
   57    HD1  PHE  10           HD1      PHE  10   2.107  -3.202   6.234
   58    HD2  PHE  10           HD2      PHE  10   1.615  -5.930   3.005
   59    HE1  PHE  10           HE1      PHE  10   4.006  -2.159   5.069
   60    HE2  PHE  10           HE2      PHE  10   3.514  -4.892   1.834
   61    HZ   PHE  10           HZ       PHE  10   4.713  -3.004   2.867
   62    H    ALA  11           H        ALA  11  -2.909  -3.639   4.563
   63    HA   ALA  11           HA       ALA  11  -3.558  -3.828   7.410
   64    HB1  ALA  11           HB1      ALA  11  -4.404  -1.957   5.228
   65    HB2  ALA  11           HB2      ALA  11  -3.622  -1.590   6.765
   66    HB3  ALA  11           HB3      ALA  11  -5.318  -2.074   6.732
   67    H    GLY  12           H        GLY  12  -3.939  -6.018   5.468
   68    HA2  GLY  12           HA2      GLY  12  -5.592  -7.725   5.729
   69    HA3  GLY  12           HA3      GLY  12  -6.787  -6.476   6.043
   70    H    CYS  13           H        CYS  13  -5.994  -4.812   3.816
   71    HA   CYS  13           HA       CYS  13  -7.457  -6.208   1.740
   72    HB2  CYS  13           HB2      CYS  13  -6.303  -3.416   1.650
   73    HB3  CYS  13           HB3      CYS  13  -7.569  -4.079   0.621
   74    H    GLY  14           H        GLY  14  -4.237  -4.888   2.293
   75    HA2  GLY  14           HA2      GLY  14  -2.240  -5.640   1.401
   76    HA3  GLY  14           HA3      GLY  14  -3.140  -6.716   0.348
   77    H    TYR  15           H        TYR  15  -3.421  -3.178   0.649
   78    HA   TYR  15           HA       TYR  15  -2.087  -2.836  -1.906
   79    HB2  TYR  15           HB2      TYR  15  -5.019  -2.256  -1.520
   80    HB3  TYR  15           HB3      TYR  15  -4.067  -1.522  -2.805
   81    HD1  TYR  15           HD1      TYR  15  -2.843  -3.129  -4.410
   82    HD2  TYR  15           HD2      TYR  15  -6.011  -4.340  -1.842
   83    HE1  TYR  15           HE1      TYR  15  -3.228  -5.102  -5.826
   84    HE2  TYR  15           HE2      TYR  15  -6.405  -6.317  -3.250
   85    HH   TYR  15           HH       TYR  15  -5.021  -6.680  -6.338
   86    H    ALA  16           H        ALA  16  -0.855  -1.128  -1.798
   87    HA   ALA  16           HA       ALA  16  -1.725   1.256  -0.326
   88    HB1  ALA  16           HB1      ALA  16   0.992  -0.016  -0.061
   89    HB2  ALA  16           HB2      ALA  16  -0.254   0.053   1.186
   90    HB3  ALA  16           HB3      ALA  16   0.513   1.537   0.623
   91    H    VAL  17           H        VAL  17  -1.016   3.192  -1.149
   92    HA   VAL  17           HA       VAL  17  -0.023   3.071  -3.885
   93    HB   VAL  17           HB       VAL  17  -0.539   5.689  -2.561
   94   HG11  VAL  17          HG11      VAL  17  -1.796   5.774  -4.926
   95   HG12  VAL  17          HG12      VAL  17  -0.613   4.512  -5.267
   96   HG13  VAL  17          HG13      VAL  17  -0.075   6.104  -4.733
   97   HG21  VAL  17          HG21      VAL  17  -2.526   4.983  -1.777
   98   HG22  VAL  17          HG22      VAL  17  -2.555   3.561  -2.819
   99   HG23  VAL  17          HG23      VAL  17  -3.028   5.135  -3.459
  100    H    VAL  18           H        VAL  18   1.371   3.005  -0.966
  101    HA   VAL  18           HA       VAL  18   3.826   4.223  -1.981
  102    HB   VAL  18           HB       VAL  18   2.969   4.858   0.828
  103   HG11  VAL  18          HG11      VAL  18   5.250   5.447  -0.895
  104   HG12  VAL  18          HG12      VAL  18   5.116   5.483   0.863
  105   HG13  VAL  18          HG13      VAL  18   4.586   6.868  -0.090
  106   HG21  VAL  18          HG21      VAL  18   2.416   7.158  -0.086
  107   HG22  VAL  18          HG22      VAL  18   1.250   5.880  -0.431
  108   HG23  VAL  18          HG23      VAL  18   2.377   6.408  -1.681
  109    H    CYS  19           H        CYS  19   5.727   3.509  -0.894
  110    HA   CYS  19           HA       CYS  19   5.331   1.015   0.625
  111    HB2  CYS  19           HB2      CYS  19   7.760   1.627  -1.050
  112    HB3  CYS  19           HB3      CYS  19   7.236   0.070  -0.418
  113    H    PHE  20           H        PHE  20   6.589   4.155   0.724
  114    HA   PHE  20           HA       PHE  20   8.635   3.551   2.698
  115    HB2  PHE  20           HB2      PHE  20   7.770   6.323   1.927
  116    HB3  PHE  20           HB3      PHE  20   9.348   5.772   2.476
  117    HD1  PHE  20           HD1      PHE  20   9.775   3.457   0.684
  118    HD2  PHE  20           HD2      PHE  20   8.214   7.334  -0.114
  119    HE1  PHE  20           HE1      PHE  20  10.521   3.272  -1.654
  120    HE2  PHE  20           HE2      PHE  20   8.956   7.156  -2.453
  121    HZ   PHE  20           HZ       PHE  20  10.111   5.123  -3.226
  122    H    DTR  21           H        DTR  21   5.324   4.280   2.631
  123    HA   DTR  21           HA       DTR  21   3.835   5.151   4.151
  124    HB2  DTR  21           HB2      DTR  21   4.558   6.044   6.336
  125    HB3  DTR  21           HB3      DTR  21   6.210   5.561   5.984
  126    HD1  DTR  21           HD1      DTR  21   7.490   6.962   4.019
  127    HE1  DTR  21           HE1      DTR  21   7.125   9.364   3.173
  128    HZ2  DTR  21           HZ2      DTR  21   5.124  11.351   3.299
  129    HH2  DTR  21           HH2      DTR  21   2.882  11.715   4.234
  130    HZ3  DTR  21           HZ3      DTR  21   1.753   9.975   5.522
  131    HE3  DTR  21           HE3      DTR  21   2.821   7.796   5.930
  Start of MODEL    2
    1    H1   CYS   1           H1       CYS   1  -3.973   0.323   2.608
    2    HA   CYS   1           HA       CYS   1  -5.150  -1.907   1.394
    3    HB2  CYS   1           HB2      CYS   1  -5.979  -2.504   3.537
    4    HB3  CYS   1           HB3      CYS   1  -6.326  -0.831   3.955
    5    H    LEU   2           H        LEU   2  -5.319  -0.743  -0.451
    6    HA   LEU   2           HA       LEU   2  -7.255   1.435  -0.479
    7    HB2  LEU   2           HB2      LEU   2  -4.455   1.678  -1.573
    8    HB3  LEU   2           HB3      LEU   2  -5.754   2.797  -1.940
    9    HG   LEU   2           HG       LEU   2  -5.109   2.335   0.927
   10   HD11  LEU   2          HD11      LEU   2  -3.498   4.461   0.258
   11   HD12  LEU   2          HD12      LEU   2  -3.184   3.297  -1.028
   12   HD13  LEU   2          HD13      LEU   2  -2.955   2.832   0.657
   13   HD21  LEU   2          HD21      LEU   2  -6.870   3.925  -0.328
   14   HD22  LEU   2          HD22      LEU   2  -5.486   5.016  -0.247
   15   HD23  LEU   2          HD23      LEU   2  -6.147   4.318   1.231
   16    H    GLY   3           H        GLY   3  -7.650   2.124  -2.852
   17    HA2  GLY   3           HA2      GLY   3  -8.236  -0.303  -4.311
   18    HA3  GLY   3           HA3      GLY   3  -8.719   1.326  -4.757
   19    H    VAL   4           H        VAL   4  -5.486   1.454  -4.101
   20    HA   VAL   4           HA       VAL   4  -4.836   1.428  -6.945
   21    HB   VAL   4           HB       VAL   4  -2.971   2.199  -4.709
   22   HG11  VAL   4          HG11      VAL   4  -3.098   2.733  -7.660
   23   HG12  VAL   4          HG12      VAL   4  -1.792   2.006  -6.724
   24   HG13  VAL   4          HG13      VAL   4  -2.131   3.730  -6.574
   25   HG21  VAL   4          HG21      VAL   4  -4.516   3.762  -4.189
   26   HG22  VAL   4          HG22      VAL   4  -5.331   3.629  -5.747
   27   HG23  VAL   4          HG23      VAL   4  -3.854   4.582  -5.603
   28    H    GLY   5           H        GLY   5  -2.727   0.477  -7.624
   29    HA2  GLY   5           HA2      GLY   5  -2.100  -1.954  -6.070
   30    HA3  GLY   5           HA3      GLY   5  -2.306  -1.999  -7.813
   31    H    SER   6           H        SER   6  -0.621   0.486  -5.934
   32    HA   SER   6           HA       SER   6   1.752   0.040  -7.565
   33    HB2  SER   6           HB2      SER   6   0.595   2.336  -6.701
   34    HB3  SER   6           HB3      SER   6   1.809   2.105  -5.443
   35    HG   SER   6           HG       SER   6   3.401   2.123  -6.996
   36    H    CYS   7           H        CYS   7   0.685  -0.185  -4.236
   37    HA   CYS   7           HA       CYS   7   2.921  -1.928  -3.616
   38    HB2  CYS   7           HB2      CYS   7   3.243   0.706  -3.002
   39    HB3  CYS   7           HB3      CYS   7   2.475   0.118  -1.531
   40    H    VAL   8           H        VAL   8   2.488  -1.989  -0.814
   41    HA   VAL   8           HA       VAL   8  -0.344  -2.744  -0.598
   42    HB   VAL   8           HB       VAL   8   1.817  -4.445   0.584
   43   HG11  VAL   8          HG11      VAL   8   0.137  -5.501   1.553
   44   HG12  VAL   8          HG12      VAL   8  -0.558  -5.862  -0.027
   45   HG13  VAL   8          HG13      VAL   8  -1.000  -4.377   0.812
   46   HG21  VAL   8          HG21      VAL   8   2.352  -4.978  -1.547
   47   HG22  VAL   8          HG22      VAL   8   0.811  -4.402  -2.185
   48   HG23  VAL   8          HG23      VAL   8   0.913  -5.990  -1.423
   49    H    ASP   9           H        ASP   9  -1.220  -2.642   1.429
   50    HA   ASP   9           HA       ASP   9   0.327  -1.078   3.374
   51    HB2  ASP   9           HB2      ASP   9  -2.007  -0.712   4.418
   52    HB3  ASP   9           HB3      ASP   9  -1.623   0.134   2.926
   53    H    PHE  10           H        PHE  10  -1.061  -4.155   2.843
   54    HA   PHE  10           HA       PHE  10  -1.164  -6.049   4.090
   55    HB2  PHE  10           HB2      PHE  10   0.567  -4.874   6.220
   56    HB3  PHE  10           HB3      PHE  10   0.597  -6.486   5.516
   57    HD1  PHE  10           HD1      PHE  10   1.510  -6.751   3.168
   58    HD2  PHE  10           HD2      PHE  10   2.018  -3.209   5.471
   59    HE1  PHE  10           HE1      PHE  10   3.387  -6.084   1.722
   60    HE2  PHE  10           HE2      PHE  10   3.895  -2.535   4.030
   61    HZ   PHE  10           HZ       PHE  10   4.582  -3.974   2.152
   62    H    ALA  11           H        ALA  11  -3.048  -3.878   4.567
   63    HA   ALA  11           HA       ALA  11  -3.634  -4.173   7.418
   64    HB1  ALA  11           HB1      ALA  11  -5.006  -2.285   7.262
   65    HB2  ALA  11           HB2      ALA  11  -5.172  -2.439   5.513
   66    HB3  ALA  11           HB3      ALA  11  -3.640  -1.913   6.210
   67    H    GLY  12           H        GLY  12  -3.990  -6.312   5.414
   68    HA2  GLY  12           HA2      GLY  12  -5.598  -8.072   5.702
   69    HA3  GLY  12           HA3      GLY  12  -6.825  -6.850   6.000
   70    H    CYS  13           H        CYS  13  -6.095  -5.173   3.776
   71    HA   CYS  13           HA       CYS  13  -7.525  -6.595   1.709
   72    HB2  CYS  13           HB2      CYS  13  -6.326  -3.833   1.497
   73    HB3  CYS  13           HB3      CYS  13  -7.674  -4.502   0.582
   74    H    GLY  14           H        GLY  14  -4.354  -5.001   1.994
   75    HA2  GLY  14           HA2      GLY  14  -2.349  -5.975   1.191
   76    HA3  GLY  14           HA3      GLY  14  -3.296  -6.954   0.085
   77    H    TYR  15           H        TYR  15  -3.608  -3.451   0.510
   78    HA   TYR  15           HA       TYR  15  -2.137  -2.974  -1.945
   79    HB2  TYR  15           HB2      TYR  15  -5.039  -2.166  -1.758
   80    HB3  TYR  15           HB3      TYR  15  -3.957  -1.907  -3.120
   81    HD1  TYR  15           HD1      TYR  15  -5.842  -4.445  -1.225
   82    HD2  TYR  15           HD2      TYR  15  -3.523  -3.646  -4.701
   83    HE1  TYR  15           HE1      TYR  15  -6.550  -6.595  -2.184
   84    HE2  TYR  15           HE2      TYR  15  -4.225  -5.794  -5.670
   85    HH   TYR  15           HH       TYR  15  -6.770  -7.639  -4.403
   86    H    ALA  16           H        ALA  16  -1.051  -1.156  -1.830
   87    HA   ALA  16           HA       ALA  16  -2.082   1.157  -0.391
   88    HB1  ALA  16           HB1      ALA  16  -0.777  -0.157   1.261
   89    HB2  ALA  16           HB2      ALA  16  -0.141   1.458   0.969
   90    HB3  ALA  16           HB3      ALA  16   0.644   0.056   0.243
   91    H    VAL  17           H        VAL  17  -1.203   3.109  -1.038
   92    HA   VAL  17           HA       VAL  17   0.136   3.024  -3.624
   93    HB   VAL  17           HB       VAL  17  -0.708   5.516  -2.151
   94   HG11  VAL  17          HG11      VAL  17   0.530   6.201  -3.956
   95   HG12  VAL  17          HG12      VAL  17  -1.079   6.139  -4.673
   96   HG13  VAL  17          HG13      VAL  17   0.058   4.819  -4.945
   97   HG21  VAL  17          HG21      VAL  17  -2.691   5.025  -4.003
   98   HG22  VAL  17          HG22      VAL  17  -2.823   4.807  -2.258
   99   HG23  VAL  17          HG23      VAL  17  -2.400   3.439  -3.288
  100    H    VAL  18           H        VAL  18   1.097   2.860  -0.538
  101    HA   VAL  18           HA       VAL  18   3.637   4.233  -1.107
  102    HB   VAL  18           HB       VAL  18   2.721   5.725   0.421
  103   HG11  VAL  18          HG11      VAL  18   1.759   4.641   2.667
  104   HG12  VAL  18          HG12      VAL  18   1.381   3.343   1.536
  105   HG13  VAL  18          HG13      VAL  18   0.759   4.968   1.252
  106   HG21  VAL  18          HG21      VAL  18   4.940   5.024   1.146
  107   HG22  VAL  18          HG22      VAL  18   4.220   3.760   2.144
  108   HG23  VAL  18          HG23      VAL  18   3.927   5.457   2.522
  109    H    CYS  19           H        CYS  19   5.443   3.405   0.162
  110    HA   CYS  19           HA       CYS  19   5.061   0.604   0.986
  111    HB2  CYS  19           HB2      CYS  19   7.518   1.612  -0.441
  112    HB3  CYS  19           HB3      CYS  19   7.078  -0.057  -0.102
  113    H    PHE  20           H        PHE  20   7.061   3.500   1.277
  114    HA   PHE  20           HA       PHE  20   7.883   2.557   3.942
  115    HB2  PHE  20           HB2      PHE  20   9.827   4.345   3.378
  116    HB3  PHE  20           HB3      PHE  20   9.966   2.623   3.047
  117    HD1  PHE  20           HD1      PHE  20   9.183   1.846   0.702
  118    HD2  PHE  20           HD2      PHE  20  10.147   5.873   1.678
  119    HE1  PHE  20           HE1      PHE  20   9.548   2.331  -1.682
  120    HE2  PHE  20           HE2      PHE  20  10.512   6.367  -0.705
  121    HZ   PHE  20           HZ       PHE  20  10.213   4.595  -2.388
  122    H    DTR  21           H        DTR  21   7.955   5.620   2.159
  123    HA   DTR  21           HA       DTR  21   7.658   7.766   2.951
  124    HB2  DTR  21           HB2      DTR  21   7.070   8.277   5.194
  125    HB3  DTR  21           HB3      DTR  21   6.383   6.680   5.461
  126    HD1  DTR  21           HD1      DTR  21   9.692   6.505   3.743
  127    HE1  DTR  21           HE1      DTR  21  11.514   5.788   5.413
  128    HZ2  DTR  21           HZ2      DTR  21  11.798   5.483   8.205
  129    HH2  DTR  21           HH2      DTR  21  10.499   5.744  10.274
  130    HZ3  DTR  21           HZ3      DTR  21   8.177   6.499  10.221
  131    HE3  DTR  21           HE3      DTR  21   7.057   7.024   8.094
  Start of MODEL    3
    1    H1   CYS   1           H1       CYS   1  -4.055   0.461   2.573
    2    HA   CYS   1           HA       CYS   1  -5.091  -1.872   1.425
    3    HB2  CYS   1           HB2      CYS   1  -5.923  -2.510   3.519
    4    HB3  CYS   1           HB3      CYS   1  -6.214  -0.849   4.018
    5    H    LEU   2           H        LEU   2  -5.342  -0.775  -0.449
    6    HA   LEU   2           HA       LEU   2  -7.441   1.227  -0.546
    7    HB2  LEU   2           HB2      LEU   2  -4.711   1.790  -1.697
    8    HB3  LEU   2           HB3      LEU   2  -6.119   2.830  -1.805
    9    HG   LEU   2           HG       LEU   2  -4.758   2.093   0.786
   10   HD11  LEU   2          HD11      LEU   2  -3.856   4.366   0.749
   11   HD12  LEU   2          HD12      LEU   2  -4.525   4.602  -0.865
   12   HD13  LEU   2          HD13      LEU   2  -3.258   3.404  -0.603
   13   HD21  LEU   2          HD21      LEU   2  -6.299   3.337   1.863
   14   HD22  LEU   2          HD22      LEU   2  -7.293   2.942   0.461
   15   HD23  LEU   2          HD23      LEU   2  -6.452   4.490   0.537
   16    H    GLY   3           H        GLY   3  -7.788   1.900  -2.939
   17    HA2  GLY   3           HA2      GLY   3  -8.173  -0.548  -4.406
   18    HA3  GLY   3           HA3      GLY   3  -8.679   1.059  -4.904
   19    H    VAL   4           H        VAL   4  -5.463   1.223  -4.069
   20    HA   VAL   4           HA       VAL   4  -4.684   1.263  -6.874
   21    HB   VAL   4           HB       VAL   4  -2.892   1.910  -4.542
   22   HG11  VAL   4          HG11      VAL   4  -2.219   3.615  -6.501
   23   HG12  VAL   4          HG12      VAL   4  -2.825   2.273  -7.472
   24   HG13  VAL   4          HG13      VAL   4  -1.508   2.010  -6.329
   25   HG21  VAL   4          HG21      VAL   4  -3.701   4.343  -5.315
   26   HG22  VAL   4          HG22      VAL   4  -4.467   3.447  -4.004
   27   HG23  VAL   4          HG23      VAL   4  -5.185   3.438  -5.615
   28    H    GLY   5           H        GLY   5  -2.553   0.304  -7.491
   29    HA2  GLY   5           HA2      GLY   5  -1.980  -2.160  -5.976
   30    HA3  GLY   5           HA3      GLY   5  -2.232  -2.215  -7.713
   31    H    SER   6           H        SER   6  -0.497   0.335  -6.013
   32    HA   SER   6           HA       SER   6   1.860  -0.255  -7.623
   33    HB2  SER   6           HB2      SER   6   0.801   2.103  -7.168
   34    HB3  SER   6           HB3      SER   6   1.715   2.011  -5.663
   35    HG   SER   6           HG       SER   6   3.398   2.548  -6.778
   36    H    CYS   7           H        CYS   7   0.782  -0.274  -4.303
   37    HA   CYS   7           HA       CYS   7   3.075  -1.887  -3.546
   38    HB2  CYS   7           HB2      CYS   7   3.080   0.867  -3.010
   39    HB3  CYS   7           HB3      CYS   7   2.629   0.108  -1.487
   40    H    VAL   8           H        VAL   8   2.596  -1.785  -0.751
   41    HA   VAL   8           HA       VAL   8  -0.207  -2.634  -0.523
   42    HB   VAL   8           HB       VAL   8   2.001  -4.186   0.776
   43   HG11  VAL   8          HG11      VAL   8  -0.813  -4.197   1.004
   44   HG12  VAL   8          HG12      VAL   8   0.356  -5.246   1.800
   45   HG13  VAL   8          HG13      VAL   8  -0.329  -5.710   0.244
   46   HG21  VAL   8          HG21      VAL   8   2.566  -4.902  -1.277
   47   HG22  VAL   8          HG22      VAL   8   1.074  -4.299  -1.999
   48   HG23  VAL   8          HG23      VAL   8   1.085  -5.854  -1.168
   49    H    ASP   9           H        ASP   9  -1.107  -2.468   1.497
   50    HA   ASP   9           HA       ASP   9   0.355  -0.732   3.361
   51    HB2  ASP   9           HB2      ASP   9  -2.006  -0.324   4.306
   52    HB3  ASP   9           HB3      ASP   9  -1.611   0.398   2.752
   53    H    PHE  10           H        PHE  10  -0.927  -3.870   2.981
   54    HA   PHE  10           HA       PHE  10  -1.049  -5.681   4.342
   55    HB2  PHE  10           HB2      PHE  10   0.821  -4.037   6.059
   56    HB3  PHE  10           HB3      PHE  10   0.493  -5.752   6.279
   57    HD1  PHE  10           HD1      PHE  10   1.673  -7.367   5.069
   58    HD2  PHE  10           HD2      PHE  10   1.889  -3.281   3.902
   59    HE1  PHE  10           HE1      PHE  10   3.481  -7.917   3.492
   60    HE2  PHE  10           HE2      PHE  10   3.696  -3.822   2.323
   61    HZ   PHE  10           HZ       PHE  10   4.494  -6.143   2.116
   62    H    ALA  11           H        ALA  11  -2.996  -3.537   4.622
   63    HA   ALA  11           HA       ALA  11  -3.663  -3.663   7.469
   64    HB1  ALA  11           HB1      ALA  11  -5.417  -2.136   5.663
   65    HB2  ALA  11           HB2      ALA  11  -3.757  -1.554   5.788
   66    HB3  ALA  11           HB3      ALA  11  -4.751  -1.701   7.237
   67    H    GLY  12           H        GLY  12  -3.908  -5.932   5.596
   68    HA2  GLY  12           HA2      GLY  12  -5.478  -7.712   5.921
   69    HA3  GLY  12           HA3      GLY  12  -6.741  -6.510   6.147
   70    H    CYS  13           H        CYS  13  -5.964  -4.924   3.851
   71    HA   CYS  13           HA       CYS  13  -7.312  -6.493   1.820
   72    HB2  CYS  13           HB2      CYS  13  -6.285  -3.668   1.550
   73    HB3  CYS  13           HB3      CYS  13  -7.558  -4.448   0.617
   74    H    GLY  14           H        GLY  14  -4.212  -4.835   2.251
   75    HA2  GLY  14           HA2      GLY  14  -2.146  -5.615   1.483
   76    HA3  GLY  14           HA3      GLY  14  -2.981  -6.743   0.431
   77    H    TYR  15           H        TYR  15  -3.434  -3.220   0.652
   78    HA   TYR  15           HA       TYR  15  -2.038  -2.857  -1.864
   79    HB2  TYR  15           HB2      TYR  15  -4.993  -2.286  -1.602
   80    HB3  TYR  15           HB3      TYR  15  -3.987  -1.757  -2.945
   81    HD1  TYR  15           HD1      TYR  15  -3.215  -3.334  -4.617
   82    HD2  TYR  15           HD2      TYR  15  -5.598  -4.631  -1.340
   83    HE1  TYR  15           HE1      TYR  15  -3.629  -5.467  -5.769
   84    HE2  TYR  15           HE2      TYR  15  -6.017  -6.767  -2.482
   85    HH   TYR  15           HH       TYR  15  -5.992  -7.710  -4.693
   86    H    ALA  16           H        ALA  16  -0.909  -1.075  -1.770
   87    HA   ALA  16           HA       ALA  16  -1.954   1.294  -0.396
   88    HB1  ALA  16           HB1      ALA  16   0.817   0.201   0.046
   89    HB2  ALA  16           HB2      ALA  16  -0.504   0.156   1.212
   90    HB3  ALA  16           HB3      ALA  16   0.170   1.703   0.706
   91    H    VAL  17           H        VAL  17  -1.273   3.240  -1.221
   92    HA   VAL  17           HA       VAL  17  -0.119   3.101  -3.892
   93    HB   VAL  17           HB       VAL  17  -0.781   5.745  -2.721
   94   HG11  VAL  17          HG11      VAL  17  -0.335   6.043  -4.912
   95   HG12  VAL  17          HG12      VAL  17  -2.036   5.616  -5.094
   96   HG13  VAL  17          HG13      VAL  17  -0.789   4.394  -5.342
   97   HG21  VAL  17          HG21      VAL  17  -3.248   5.123  -3.537
   98   HG22  VAL  17          HG22      VAL  17  -2.723   4.952  -1.863
   99   HG23  VAL  17          HG23      VAL  17  -2.751   3.545  -2.926
  100    H    VAL  18           H        VAL  18   1.092   3.165  -0.890
  101    HA   VAL  18           HA       VAL  18   3.438   4.742  -1.725
  102    HB   VAL  18           HB       VAL  18   2.538   6.118  -0.082
  103   HG11  VAL  18          HG11      VAL  18   0.799   4.534   0.671
  104   HG12  VAL  18          HG12      VAL  18   1.563   5.400   2.004
  105   HG13  VAL  18          HG13      VAL  18   2.007   3.726   1.670
  106   HG21  VAL  18          HG21      VAL  18   4.016   5.983   1.847
  107   HG22  VAL  18          HG22      VAL  18   4.894   5.648   0.355
  108   HG23  VAL  18          HG23      VAL  18   4.433   4.323   1.424
  109    H    CYS  19           H        CYS  19   5.438   4.099  -0.738
  110    HA   CYS  19           HA       CYS  19   5.465   1.282   0.124
  111    HB2  CYS  19           HB2      CYS  19   7.433   2.608  -1.750
  112    HB3  CYS  19           HB3      CYS  19   7.537   0.953  -1.160
  113    H    PHE  20           H        PHE  20   6.520   4.485   0.695
  114    HA   PHE  20           HA       PHE  20   8.673   3.619   2.471
  115    HB2  PHE  20           HB2      PHE  20   7.808   6.416   1.708
  116    HB3  PHE  20           HB3      PHE  20   9.243   5.993   2.637
  117    HD1  PHE  20           HD1      PHE  20   8.005   6.741  -0.559
  118    HD2  PHE  20           HD2      PHE  20  10.887   4.336   1.445
  119    HE1  PHE  20           HE1      PHE  20   9.294   6.554  -2.647
  120    HE2  PHE  20           HE2      PHE  20  12.182   4.144  -0.639
  121    HZ   PHE  20           HZ       PHE  20  11.385   5.254  -2.688
  122    H    DTR  21           H        DTR  21   6.081   2.892   3.233
  123    HA   DTR  21           HA       DTR  21   4.443   4.235   4.793
  124    HB2  DTR  21           HB2      DTR  21   6.079   5.462   6.016
  125    HB3  DTR  21           HB3      DTR  21   5.471   4.235   7.120
  126    HD1  DTR  21           HD1      DTR  21   7.429   1.958   5.542
  127    HE1  DTR  21           HE1      DTR  21   9.882   1.882   6.317
  128    HZ2  DTR  21           HZ2      DTR  21  11.700   3.546   7.692
  129    HH2  DTR  21           HH2      DTR  21  11.800   5.758   8.755
  130    HZ3  DTR  21           HZ3      DTR  21   9.853   7.231   8.795
  131    HE3  DTR  21           HE3      DTR  21   7.721   6.550   7.772
  Start of MODEL    4
    1    H1   CYS   1           H1       CYS   1  -3.608   0.621   2.688
    2    HA   CYS   1           HA       CYS   1  -4.838  -1.658   1.609
    3    HB2  CYS   1           HB2      CYS   1  -5.618  -2.191   3.752
    4    HB3  CYS   1           HB3      CYS   1  -5.766  -0.503   4.224
    5    H    LEU   2           H        LEU   2  -5.069  -0.564  -0.279
    6    HA   LEU   2           HA       LEU   2  -7.034   1.576  -0.330
    7    HB2  LEU   2           HB2      LEU   2  -4.244   1.892  -1.431
    8    HB3  LEU   2           HB3      LEU   2  -5.580   2.953  -1.834
    9    HG   LEU   2           HG       LEU   2  -4.764   2.559   1.025
   10   HD11  LEU   2          HD11      LEU   2  -2.946   3.846   0.881
   11   HD12  LEU   2          HD12      LEU   2  -3.694   4.936  -0.286
   12   HD13  LEU   2          HD13      LEU   2  -2.962   3.428  -0.833
   13   HD21  LEU   2          HD21      LEU   2  -6.220   4.678  -0.533
   14   HD22  LEU   2          HD22      LEU   2  -5.632   4.932   1.110
   15   HD23  LEU   2          HD23      LEU   2  -6.830   3.679   0.785
   16    H    GLY   3           H        GLY   3  -7.487   2.202  -2.701
   17    HA2  GLY   3           HA2      GLY   3  -7.995  -0.266  -4.116
   18    HA3  GLY   3           HA3      GLY   3  -8.547   1.337  -4.579
   19    H    VAL   4           H        VAL   4  -5.280   1.502  -3.959
   20    HA   VAL   4           HA       VAL   4  -4.691   1.567  -6.808
   21    HB   VAL   4           HB       VAL   4  -2.812   2.232  -4.543
   22   HG11  VAL   4          HG11      VAL   4  -2.851   2.876  -7.484
   23   HG12  VAL   4          HG12      VAL   4  -1.639   1.960  -6.589
   24   HG13  VAL   4          HG13      VAL   4  -1.803   3.695  -6.326
   25   HG21  VAL   4          HG21      VAL   4  -3.587   4.644  -5.433
   26   HG22  VAL   4          HG22      VAL   4  -4.347   3.826  -4.067
   27   HG23  VAL   4          HG23      VAL   4  -5.086   3.746  -5.666
   28    H    GLY   5           H        GLY   5  -2.664   0.587  -7.610
   29    HA2  GLY   5           HA2      GLY   5  -2.013  -1.906  -6.172
   30    HA3  GLY   5           HA3      GLY   5  -2.311  -1.889  -7.903
   31    H    SER   6           H        SER   6  -0.461   0.492  -6.036
   32    HA   SER   6           HA       SER   6   1.814   0.029  -7.800
   33    HB2  SER   6           HB2      SER   6   1.304   2.341  -7.480
   34    HB3  SER   6           HB3      SER   6   1.208   2.147  -5.730
   35    HG   SER   6           HG       SER   6   3.545   1.872  -7.320
   36    H    CYS   7           H        CYS   7   0.946  -0.120  -4.405
   37    HA   CYS   7           HA       CYS   7   3.026  -2.078  -3.916
   38    HB2  CYS   7           HB2      CYS   7   3.706   0.493  -3.376
   39    HB3  CYS   7           HB3      CYS   7   2.942   0.049  -1.854
   40    H    VAL   8           H        VAL   8   2.764  -2.075  -1.087
   41    HA   VAL   8           HA       VAL   8  -0.118  -2.548  -0.732
   42    HB   VAL   8           HB       VAL   8   1.953  -4.379   0.421
   43   HG11  VAL   8          HG11      VAL   8   0.222  -5.122   1.584
   44   HG12  VAL   8          HG12      VAL   8  -0.482  -5.691   0.070
   45   HG13  VAL   8          HG13      VAL   8  -0.889  -4.091   0.686
   46   HG21  VAL   8          HG21      VAL   8   1.997  -4.404  -2.087
   47   HG22  VAL   8          HG22      VAL   8   0.320  -4.945  -2.041
   48   HG23  VAL   8          HG23      VAL   8   1.589  -5.947  -1.337
   49    H    ASP   9           H        ASP   9  -0.908  -2.334   1.319
   50    HA   ASP   9           HA       ASP   9   0.779  -0.753   3.120
   51    HB2  ASP   9           HB2      ASP   9  -1.491  -0.350   4.298
   52    HB3  ASP   9           HB3      ASP   9  -1.188   0.454   2.765
   53    H    PHE  10           H        PHE  10  -0.752  -3.819   2.823
   54    HA   PHE  10           HA       PHE  10  -0.784  -5.664   4.144
   55    HB2  PHE  10           HB2      PHE  10   1.531  -4.129   5.253
   56    HB3  PHE  10           HB3      PHE  10   0.974  -5.567   6.102
   57    HD1  PHE  10           HD1      PHE  10   1.460  -7.730   5.297
   58    HD2  PHE  10           HD2      PHE  10   2.318  -4.320   2.899
   59    HE1  PHE  10           HE1      PHE  10   2.756  -9.144   3.756
   60    HE2  PHE  10           HE2      PHE  10   3.615  -5.728   1.354
   61    HZ   PHE  10           HZ       PHE  10   3.835  -8.143   1.781
   62    H    ALA  11           H        ALA  11  -2.530  -3.409   4.734
   63    HA   ALA  11           HA       ALA  11  -2.837  -3.616   7.639
   64    HB1  ALA  11           HB1      ALA  11  -3.624  -1.527   7.606
   65    HB2  ALA  11           HB2      ALA  11  -4.741  -1.885   6.289
   66    HB3  ALA  11           HB3      ALA  11  -3.068  -1.456   5.934
   67    H    GLY  12           H        GLY  12  -3.476  -5.773   5.743
   68    HA2  GLY  12           HA2      GLY  12  -5.139  -7.438   6.240
   69    HA3  GLY  12           HA3      GLY  12  -6.280  -6.142   6.564
   70    H    CYS  13           H        CYS  13  -5.590  -4.614   4.198
   71    HA   CYS  13           HA       CYS  13  -7.294  -5.993   2.336
   72    HB2  CYS  13           HB2      CYS  13  -5.870  -3.332   2.156
   73    HB3  CYS  13           HB3      CYS  13  -7.005  -3.937   0.953
   74    H    GLY  14           H        GLY  14  -4.077  -4.482   1.894
   75    HA2  GLY  14           HA2      GLY  14  -2.251  -5.928   1.109
   76    HA3  GLY  14           HA3      GLY  14  -3.433  -6.735   0.094
   77    H    TYR  15           H        TYR  15  -3.504  -3.259   0.403
   78    HA   TYR  15           HA       TYR  15  -1.932  -2.893  -2.007
   79    HB2  TYR  15           HB2      TYR  15  -4.904  -2.543  -1.929
   80    HB3  TYR  15           HB3      TYR  15  -3.934  -1.492  -2.952
   81    HD1  TYR  15           HD1      TYR  15  -2.115  -2.865  -4.400
   82    HD2  TYR  15           HD2      TYR  15  -5.792  -4.415  -2.926
   83    HE1  TYR  15           HE1      TYR  15  -2.085  -4.587  -6.154
   84    HE2  TYR  15           HE2      TYR  15  -5.772  -6.143  -4.675
   85    HH   TYR  15           HH       TYR  15  -3.016  -6.757  -6.623
   86    H    ALA  16           H        ALA  16  -0.894  -1.032  -2.023
   87    HA   ALA  16           HA       ALA  16  -1.892   1.259  -0.502
   88    HB1  ALA  16           HB1      ALA  16   0.869   0.110  -0.159
   89    HB2  ALA  16           HB2      ALA  16  -0.418   0.112   1.043
   90    HB3  ALA  16           HB3      ALA  16   0.299   1.633   0.522
   91    H    VAL  17           H        VAL  17  -0.999   3.264  -1.137
   92    HA   VAL  17           HA       VAL  17  -0.087   3.266  -3.908
   93    HB   VAL  17           HB       VAL  17  -0.572   5.710  -2.205
   94   HG11  VAL  17          HG11      VAL  17  -1.268   5.707  -5.052
   95   HG12  VAL  17          HG12      VAL  17   0.446   5.460  -4.717
   96   HG13  VAL  17          HG13      VAL  17  -0.375   6.893  -4.100
   97   HG21  VAL  17          HG21      VAL  17  -2.841   5.385  -3.752
   98   HG22  VAL  17          HG22      VAL  17  -2.713   5.118  -2.015
   99   HG23  VAL  17          HG23      VAL  17  -2.522   3.766  -3.130
  100    H    VAL  18           H        VAL  18   1.263   2.956  -0.973
  101    HA   VAL  18           HA       VAL  18   3.838   4.001  -1.891
  102    HB   VAL  18           HB       VAL  18   3.053   4.396   0.982
  103   HG11  VAL  18          HG11      VAL  18   5.304   5.086  -0.767
  104   HG12  VAL  18          HG12      VAL  18   5.253   4.850   0.980
  105   HG13  VAL  18          HG13      VAL  18   4.762   6.394   0.284
  106   HG21  VAL  18          HG21      VAL  18   2.284   6.065  -1.356
  107   HG22  VAL  18          HG22      VAL  18   2.776   6.882   0.128
  108   HG23  VAL  18          HG23      VAL  18   1.417   5.758   0.149
  109    H    CYS  19           H        CYS  19   5.652   3.067  -0.583
  110    HA   CYS  19           HA       CYS  19   4.952   0.319   0.184
  111    HB2  CYS  19           HB2      CYS  19   7.598   1.477  -0.709
  112    HB3  CYS  19           HB3      CYS  19   7.333  -0.204  -0.258
  113    H    PHE  20           H        PHE  20   6.375   3.262   1.343
  114    HA   PHE  20           HA       PHE  20   7.385   1.992   3.760
  115    HB2  PHE  20           HB2      PHE  20   7.331   4.941   3.101
  116    HB3  PHE  20           HB3      PHE  20   8.318   4.134   4.316
  117    HD1  PHE  20           HD1      PHE  20  10.228   2.752   3.642
  118    HD2  PHE  20           HD2      PHE  20   7.964   4.970   0.803
  119    HE1  PHE  20           HE1      PHE  20  12.041   2.492   1.999
  120    HE2  PHE  20           HE2      PHE  20   9.772   4.714  -0.845
  121    HZ   PHE  20           HZ       PHE  20  11.815   3.474  -0.248
  122    H    DTR  21           H        DTR  21   4.732   3.951   2.648
  123    HA   DTR  21           HA       DTR  21   3.537   5.177   4.646
  124    HB2  DTR  21           HB2      DTR  21   2.059   3.034   5.512
  125    HB3  DTR  21           HB3      DTR  21   3.661   2.321   5.371
  126    HD1  DTR  21           HD1      DTR  21   5.123   5.172   6.285
  127    HE1  DTR  21           HE1      DTR  21   5.142   5.702   8.804
  128    HZ2  DTR  21           HZ2      DTR  21   3.726   4.928  11.121
  129    HH2  DTR  21           HH2      DTR  21   1.887   3.448  11.802
  130    HZ3  DTR  21           HZ3      DTR  21   0.701   2.073  10.170
  131    HE3  DTR  21           HE3      DTR  21   1.306   2.120   7.786
  Start of MODEL    5
    1    H1   CYS   1           H1       CYS   1  -4.066   0.128   2.635
    2    HA   CYS   1           HA       CYS   1  -5.250  -2.088   1.375
    3    HB2  CYS   1           HB2      CYS   1  -6.145  -2.768   3.431
    4    HB3  CYS   1           HB3      CYS   1  -6.356  -1.115   3.995
    5    H    LEU   2           H        LEU   2  -5.386  -0.879  -0.450
    6    HA   LEU   2           HA       LEU   2  -7.393   1.215  -0.493
    7    HB2  LEU   2           HB2      LEU   2  -4.545   1.691  -1.358
    8    HB3  LEU   2           HB3      LEU   2  -5.884   2.749  -1.763
    9    HG   LEU   2           HG       LEU   2  -5.067   2.124   1.071
   10   HD11  LEU   2          HD11      LEU   2  -3.251   3.258  -0.150
   11   HD12  LEU   2          HD12      LEU   2  -3.951   4.260   1.120
   12   HD13  LEU   2          HD13      LEU   2  -4.372   4.554  -0.567
   13   HD21  LEU   2          HD21      LEU   2  -7.419   3.095   0.198
   14   HD22  LEU   2          HD22      LEU   2  -6.502   4.594   0.350
   15   HD23  LEU   2          HD23      LEU   2  -6.693   3.532   1.745
   16    H    GLY   3           H        GLY   3  -7.693   2.012  -2.838
   17    HA2  GLY   3           HA2      GLY   3  -7.987  -0.370  -4.467
   18    HA3  GLY   3           HA3      GLY   3  -8.633   1.225  -4.822
   19    H    VAL   4           H        VAL   4  -5.316   1.148  -3.980
   20    HA   VAL   4           HA       VAL   4  -4.611   1.845  -6.715
   21    HB   VAL   4           HB       VAL   4  -3.873   3.065  -4.537
   22   HG11  VAL   4          HG11      VAL   4  -2.284   2.208  -3.229
   23   HG12  VAL   4          HG12      VAL   4  -1.365   1.582  -4.593
   24   HG13  VAL   4          HG13      VAL   4  -2.724   0.661  -3.949
   25   HG21  VAL   4          HG21      VAL   4  -2.617   4.227  -5.946
   26   HG22  VAL   4          HG22      VAL   4  -2.884   2.953  -7.135
   27   HG23  VAL   4          HG23      VAL   4  -1.459   2.906  -6.097
   28    H    GLY   5           H        GLY   5  -1.858   1.033  -6.617
   29    HA2  GLY   5           HA2      GLY   5  -1.749  -1.803  -6.170
   30    HA3  GLY   5           HA3      GLY   5  -1.893  -1.390  -7.870
   31    H    SER   6           H        SER   6  -0.152   0.630  -5.603
   32    HA   SER   6           HA       SER   6   2.285   0.195  -7.135
   33    HB2  SER   6           HB2      SER   6   1.743   2.138  -4.875
   34    HB3  SER   6           HB3      SER   6   3.165   2.128  -5.918
   35    HG   SER   6           HG       SER   6   0.484   2.699  -6.628
   36    H    CYS   7           H        CYS   7   1.057  -0.163  -3.860
   37    HA   CYS   7           HA       CYS   7   3.081  -2.175  -3.306
   38    HB2  CYS   7           HB2      CYS   7   2.697  -0.082  -1.198
   39    HB3  CYS   7           HB3      CYS   7   4.044  -1.186  -1.440
   40    H    VAL   8           H        VAL   8   2.557  -2.409  -0.552
   41    HA   VAL   8           HA       VAL   8  -0.333  -2.966  -0.490
   42    HB   VAL   8           HB       VAL   8   1.702  -4.770   0.771
   43   HG11  VAL   8          HG11      VAL   8  -0.692  -6.098   0.087
   44   HG12  VAL   8          HG12      VAL   8  -1.125  -4.588   0.885
   45   HG13  VAL   8          HG13      VAL   8  -0.058  -5.734   1.691
   46   HG21  VAL   8          HG21      VAL   8   1.065  -6.329  -1.176
   47   HG22  VAL   8          HG22      VAL   8   2.237  -5.047  -1.479
   48   HG23  VAL   8          HG23      VAL   8   0.562  -4.850  -1.995
   49    H    ASP   9           H        ASP   9  -1.308  -2.887   1.516
   50    HA   ASP   9           HA       ASP   9   0.190  -1.377   3.538
   51    HB2  ASP   9           HB2      ASP   9  -2.147  -0.859   4.440
   52    HB3  ASP   9           HB3      ASP   9  -1.699  -0.114   2.910
   53    H    PHE  10           H        PHE  10  -1.222  -4.413   2.910
   54    HA   PHE  10           HA       PHE  10  -1.499  -6.297   4.144
   55    HB2  PHE  10           HB2      PHE  10   0.402  -4.929   6.057
   56    HB3  PHE  10           HB3      PHE  10   0.032  -6.649   6.018
   57    HD1  PHE  10           HD1      PHE  10   0.783  -8.029   4.108
   58    HD2  PHE  10           HD2      PHE  10   1.970  -3.967   4.562
   59    HE1  PHE  10           HE1      PHE  10   2.618  -8.390   2.510
   60    HE2  PHE  10           HE2      PHE  10   3.807  -4.321   2.964
   61    HZ   PHE  10           HZ       PHE  10   4.132  -6.535   1.935
   62    H    ALA  11           H        ALA  11  -3.323  -4.068   4.561
   63    HA   ALA  11           HA       ALA  11  -4.029  -4.362   7.385
   64    HB1  ALA  11           HB1      ALA  11  -5.531  -2.574   5.530
   65    HB2  ALA  11           HB2      ALA  11  -3.919  -2.103   6.066
   66    HB3  ALA  11           HB3      ALA  11  -5.195  -2.383   7.251
   67    H    GLY  12           H        GLY  12  -4.381  -6.465   5.345
   68    HA2  GLY  12           HA2      GLY  12  -6.061  -8.168   5.540
   69    HA3  GLY  12           HA3      GLY  12  -7.255  -6.907   5.812
   70    H    CYS  13           H        CYS  13  -6.344  -5.233   3.637
   71    HA   CYS  13           HA       CYS  13  -7.742  -6.582   1.492
   72    HB2  CYS  13           HB2      CYS  13  -6.514  -3.825   1.422
   73    HB3  CYS  13           HB3      CYS  13  -7.808  -4.455   0.406
   74    H    GLY  14           H        GLY  14  -4.539  -5.145   2.025
   75    HA2  GLY  14           HA2      GLY  14  -2.525  -6.062   1.236
   76    HA3  GLY  14           HA3      GLY  14  -3.435  -7.032   0.093
   77    H    TYR  15           H        TYR  15  -3.677  -3.524   0.560
   78    HA   TYR  15           HA       TYR  15  -2.179  -3.047  -1.879
   79    HB2  TYR  15           HB2      TYR  15  -5.106  -2.329  -1.657
   80    HB3  TYR  15           HB3      TYR  15  -4.033  -1.794  -2.946
   81    HD1  TYR  15           HD1      TYR  15  -6.426  -4.172  -2.053
   82    HD2  TYR  15           HD2      TYR  15  -2.749  -3.797  -4.162
   83    HE1  TYR  15           HE1      TYR  15  -6.948  -6.216  -3.316
   84    HE2  TYR  15           HE2      TYR  15  -3.262  -5.840  -5.432
   85    HH   TYR  15           HH       TYR  15  -6.021  -7.083  -5.882
   86    H    ALA  16           H        ALA  16  -0.983  -1.299  -1.637
   87    HA   ALA  16           HA       ALA  16  -1.942   0.910   0.061
   88    HB1  ALA  16           HB1      ALA  16   0.427   1.204   0.822
   89    HB2  ALA  16           HB2      ALA  16   0.776  -0.372   0.112
   90    HB3  ALA  16           HB3      ALA  16  -0.383  -0.238   1.434
   91    H    VAL  17           H        VAL  17  -1.309   2.963  -0.517
   92    HA   VAL  17           HA       VAL  17  -0.490   3.250  -3.299
   93    HB   VAL  17           HB       VAL  17  -1.335   5.367  -1.304
   94   HG11  VAL  17          HG11      VAL  17  -1.786   6.488  -3.691
   95   HG12  VAL  17          HG12      VAL  17  -0.408   5.471  -4.109
   96   HG13  VAL  17          HG13      VAL  17  -0.263   6.665  -2.819
   97   HG21  VAL  17          HG21      VAL  17  -2.985   4.435  -3.616
   98   HG22  VAL  17          HG22      VAL  17  -3.490   5.275  -2.152
   99   HG23  VAL  17          HG23      VAL  17  -3.033   3.574  -2.078
  100    H    VAL  18           H        VAL  18   0.986   3.007  -0.348
  101    HA   VAL  18           HA       VAL  18   3.443   4.177  -1.386
  102    HB   VAL  18           HB       VAL  18   2.772   4.947   1.417
  103   HG11  VAL  18          HG11      VAL  18   5.027   5.223   0.214
  104   HG12  VAL  18          HG12      VAL  18   4.388   6.596   1.117
  105   HG13  VAL  18          HG13      VAL  18   4.244   6.553  -0.640
  106   HG21  VAL  18          HG21      VAL  18   0.816   5.658   0.079
  107   HG22  VAL  18          HG22      VAL  18   1.899   6.567  -0.976
  108   HG23  VAL  18          HG23      VAL  18   1.737   7.019   0.721
  109    H    CYS  19           H        CYS  19   5.315   3.360  -0.426
  110    HA   CYS  19           HA       CYS  19   5.035   1.416   1.723
  111    HB2  CYS  19           HB2      CYS  19   6.448  -0.219   0.328
  112    HB3  CYS  19           HB3      CYS  19   4.732  -0.093  -0.033
  113    H    PHE  20           H        PHE  20   6.510   4.047   0.840
  114    HA   PHE  20           HA       PHE  20   8.941   3.389   2.279
  115    HB2  PHE  20           HB2      PHE  20  10.326   4.587   0.509
  116    HB3  PHE  20           HB3      PHE  20   9.765   2.969   0.100
  117    HD1  PHE  20           HD1      PHE  20   8.734   2.621  -1.927
  118    HD2  PHE  20           HD2      PHE  20   8.786   6.543  -0.277
  119    HE1  PHE  20           HE1      PHE  20   7.710   3.497  -3.986
  120    HE2  PHE  20           HE2      PHE  20   7.761   7.426  -2.331
  121    HZ   PHE  20           HZ       PHE  20   7.221   5.903  -4.190
  122    H    DTR  21           H        DTR  21   6.472   5.083   2.533
  123    HA   DTR  21           HA       DTR  21   5.827   7.256   2.948
  124    HB2  DTR  21           HB2      DTR  21   8.495   8.502   2.875
  125    HB3  DTR  21           HB3      DTR  21   7.980   7.787   1.351
  126    HD1  DTR  21           HD1      DTR  21   4.974   8.521   1.240
  127    HE1  DTR  21           HE1      DTR  21   4.212  10.972   1.037
  128    HZ2  DTR  21           HZ2      DTR  21   5.253  13.542   1.562
  129    HH2  DTR  21           HH2      DTR  21   7.290  14.613   2.423
  130    HZ3  DTR  21           HZ3      DTR  21   9.210  13.285   3.138
  131    HE3  DTR  21           HE3      DTR  21   9.174  10.828   3.022
  Start of MODEL    6
    1    H1   CYS   1           H1       CYS   1  -4.260   0.016   2.739
    2    HA   CYS   1           HA       CYS   1  -5.264  -2.222   1.352
    3    HB2  CYS   1           HB2      CYS   1  -6.193  -3.048   3.312
    4    HB3  CYS   1           HB3      CYS   1  -6.391  -1.450   4.016
    5    H    LEU   2           H        LEU   2  -5.411  -0.943  -0.430
    6    HA   LEU   2           HA       LEU   2  -7.515   1.070  -0.418
    7    HB2  LEU   2           HB2      LEU   2  -4.831   1.716  -1.612
    8    HB3  LEU   2           HB3      LEU   2  -6.201   2.790  -1.398
    9    HG   LEU   2           HG       LEU   2  -4.712   1.581   0.925
   10   HD11  LEU   2          HD11      LEU   2  -3.253   2.978  -0.583
   11   HD12  LEU   2          HD12      LEU   2  -3.381   3.519   1.091
   12   HD13  LEU   2          HD13      LEU   2  -4.292   4.343  -0.175
   13   HD21  LEU   2          HD21      LEU   2  -7.133   2.736   0.909
   14   HD22  LEU   2          HD22      LEU   2  -6.121   4.169   1.085
   15   HD23  LEU   2          HD23      LEU   2  -6.009   2.860   2.262
   16    H    GLY   3           H        GLY   3  -7.893   1.886  -2.731
   17    HA2  GLY   3           HA2      GLY   3  -8.231  -0.445  -4.386
   18    HA3  GLY   3           HA3      GLY   3  -8.780   1.182  -4.751
   19    H    VAL   4           H        VAL   4  -5.580   1.434  -3.950
   20    HA   VAL   4           HA       VAL   4  -4.839   1.631  -6.762
   21    HB   VAL   4           HB       VAL   4  -3.083   2.310  -4.408
   22   HG11  VAL   4          HG11      VAL   4  -3.038   2.810  -7.339
   23   HG12  VAL   4          HG12      VAL   4  -1.718   2.414  -6.239
   24   HG13  VAL   4          HG13      VAL   4  -2.381   4.048  -6.269
   25   HG21  VAL   4          HG21      VAL   4  -5.408   3.769  -5.534
   26   HG22  VAL   4          HG22      VAL   4  -3.978   4.713  -5.118
   27   HG23  VAL   4          HG23      VAL   4  -4.780   3.737  -3.887
   28    H    GLY   5           H        GLY   5  -2.713   0.796  -7.478
   29    HA2  GLY   5           HA2      GLY   5  -1.980  -1.692  -6.068
   30    HA3  GLY   5           HA3      GLY   5  -2.217  -1.662  -7.807
   31    H    SER   6           H        SER   6  -0.424   0.308  -5.428
   32    HA   SER   6           HA       SER   6   1.898   0.187  -7.238
   33    HB2  SER   6           HB2      SER   6   1.081   2.246  -5.181
   34    HB3  SER   6           HB3      SER   6   2.677   2.219  -5.929
   35    HG   SER   6           HG       SER   6   1.746   3.348  -7.434
   36    H    CYS   7           H        CYS   7   0.796  -0.201  -3.941
   37    HA   CYS   7           HA       CYS   7   3.059  -1.922  -3.354
   38    HB2  CYS   7           HB2      CYS   7   3.165   0.746  -2.565
   39    HB3  CYS   7           HB3      CYS   7   2.605  -0.095  -1.124
   40    H    VAL   8           H        VAL   8   2.516  -2.007  -0.520
   41    HA   VAL   8           HA       VAL   8  -0.286  -2.886  -0.456
   42    HB   VAL   8           HB       VAL   8   1.906  -4.508   0.786
   43   HG11  VAL   8          HG11      VAL   8   0.215  -5.479   1.831
   44   HG12  VAL   8          HG12      VAL   8  -0.327  -6.084   0.266
   45   HG13  VAL   8          HG13      VAL   8  -0.960  -4.564   0.891
   46   HG21  VAL   8          HG21      VAL   8   1.891  -6.007  -1.034
   47   HG22  VAL   8          HG22      VAL   8   2.021  -4.400  -1.749
   48   HG23  VAL   8          HG23      VAL   8   0.471  -5.241  -1.746
   49    H    ASP   9           H        ASP   9  -1.260  -2.871   1.528
   50    HA   ASP   9           HA       ASP   9   0.116  -1.276   3.579
   51    HB2  ASP   9           HB2      ASP   9  -2.269  -0.862   4.418
   52    HB3  ASP   9           HB3      ASP   9  -1.802  -0.079   2.914
   53    H    PHE  10           H        PHE  10  -1.196  -4.353   2.907
   54    HA   PHE  10           HA       PHE  10  -1.436  -6.250   4.130
   55    HB2  PHE  10           HB2      PHE  10   0.929  -5.207   4.893
   56    HB3  PHE  10           HB3      PHE  10   0.092  -5.202   6.442
   57    HD1  PHE  10           HD1      PHE  10  -0.775  -7.342   7.373
   58    HD2  PHE  10           HD2      PHE  10   1.734  -7.208   3.938
   59    HE1  PHE  10           HE1      PHE  10  -0.259  -9.730   7.661
   60    HE2  PHE  10           HE2      PHE  10   2.254  -9.596   4.220
   61    HZ   PHE  10           HZ       PHE  10   1.257 -10.861   6.083
   62    H    ALA  11           H        ALA  11  -3.336  -4.071   4.480
   63    HA   ALA  11           HA       ALA  11  -4.137  -4.380   7.277
   64    HB1  ALA  11           HB1      ALA  11  -4.099  -2.157   5.748
   65    HB2  ALA  11           HB2      ALA  11  -5.162  -2.376   7.138
   66    HB3  ALA  11           HB3      ALA  11  -5.766  -2.680   5.510
   67    H    GLY  12           H        GLY  12  -4.356  -6.499   5.228
   68    HA2  GLY  12           HA2      GLY  12  -5.976  -8.254   5.341
   69    HA3  GLY  12           HA3      GLY  12  -7.219  -7.045   5.630
   70    H    CYS  13           H        CYS  13  -6.156  -5.328   3.464
   71    HA   CYS  13           HA       CYS  13  -7.537  -6.664   1.276
   72    HB2  CYS  13           HB2      CYS  13  -6.430  -3.850   1.389
   73    HB3  CYS  13           HB3      CYS  13  -7.557  -4.492   0.198
   74    H    GLY  14           H        GLY  14  -4.397  -5.205   1.995
   75    HA2  GLY  14           HA2      GLY  14  -2.328  -5.963   1.234
   76    HA3  GLY  14           HA3      GLY  14  -3.152  -6.991   0.075
   77    H    TYR  15           H        TYR  15  -3.567  -3.490   0.511
   78    HA   TYR  15           HA       TYR  15  -2.039  -2.979  -1.899
   79    HB2  TYR  15           HB2      TYR  15  -4.948  -2.185  -1.794
   80    HB3  TYR  15           HB3      TYR  15  -3.832  -1.951  -3.133
   81    HD1  TYR  15           HD1      TYR  15  -6.250  -4.119  -1.656
   82    HD2  TYR  15           HD2      TYR  15  -2.885  -4.051  -4.259
   83    HE1  TYR  15           HE1      TYR  15  -6.940  -6.284  -2.594
   84    HE2  TYR  15           HE2      TYR  15  -3.566  -6.216  -5.205
   85    HH   TYR  15           HH       TYR  15  -6.634  -7.616  -4.573
   86    H    ALA  16           H        ALA  16  -0.900  -1.234  -1.617
   87    HA   ALA  16           HA       ALA  16  -1.982   1.055  -0.131
   88    HB1  ALA  16           HB1      ALA  16   0.765  -0.101   0.299
   89    HB2  ALA  16           HB2      ALA  16  -0.582  -0.191   1.432
   90    HB3  ALA  16           HB3      ALA  16   0.130   1.370   1.034
   91    H    VAL  17           H        VAL  17  -1.132   3.055  -0.704
   92    HA   VAL  17           HA       VAL  17  -0.041   3.143  -3.401
   93    HB   VAL  17           HB       VAL  17  -0.244   5.711  -2.882
   94   HG11  VAL  17          HG11      VAL  17  -2.850   4.277  -3.167
   95   HG12  VAL  17          HG12      VAL  17  -1.620   4.158  -4.425
   96   HG13  VAL  17          HG13      VAL  17  -2.281   5.732  -3.985
   97   HG21  VAL  17          HG21      VAL  17  -2.475   4.876  -1.110
   98   HG22  VAL  17          HG22      VAL  17  -1.602   6.405  -1.185
   99   HG23  VAL  17          HG23      VAL  17  -0.855   5.001  -0.424
  100    H    VAL  18           H        VAL  18   1.106   2.980  -0.308
  101    HA   VAL  18           HA       VAL  18   3.729   3.925  -1.144
  102    HB   VAL  18           HB       VAL  18   2.428   5.015   1.349
  103   HG11  VAL  18          HG11      VAL  18   4.748   4.821   1.748
  104   HG12  VAL  18          HG12      VAL  18   4.470   6.509   1.321
  105   HG13  VAL  18          HG13      VAL  18   5.149   5.399   0.131
  106   HG21  VAL  18          HG21      VAL  18   2.956   6.280  -1.327
  107   HG22  VAL  18          HG22      VAL  18   2.638   7.212   0.137
  108   HG23  VAL  18          HG23      VAL  18   1.413   6.109  -0.491
  109    H    CYS  19           H        CYS  19   5.417   3.348   0.443
  110    HA   CYS  19           HA       CYS  19   4.657   1.197   2.275
  111    HB2  CYS  19           HB2      CYS  19   6.430   0.971  -0.109
  112    HB3  CYS  19           HB3      CYS  19   6.875   0.072   1.338
  113    H    PHE  20           H        PHE  20   7.245   3.294   1.093
  114    HA   PHE  20           HA       PHE  20   8.428   3.252   3.785
  115    HB2  PHE  20           HB2      PHE  20  10.346   4.431   2.247
  116    HB3  PHE  20           HB3      PHE  20  10.287   2.714   2.621
  117    HD1  PHE  20           HD1      PHE  20  10.495   5.090   0.049
  118    HD2  PHE  20           HD2      PHE  20   8.867   1.264   0.954
  119    HE1  PHE  20           HE1      PHE  20  10.372   4.578  -2.355
  120    HE2  PHE  20           HE2      PHE  20   8.741   0.745  -1.448
  121    HZ   PHE  20           HZ       PHE  20   9.494   2.403  -3.106
  122    H    DTR  21           H        DTR  21   8.713   5.568   1.135
  123    HA   DTR  21           HA       DTR  21   8.836   7.868   1.243
  124    HB2  DTR  21           HB2      DTR  21   8.324   9.127   3.259
  125    HB3  DTR  21           HB3      DTR  21   7.682   7.688   4.036
  126    HD1  DTR  21           HD1      DTR  21  10.604   6.405   2.394
  127    HE1  DTR  21           HE1      DTR  21  12.666   6.405   3.934
  128    HZ2  DTR  21           HZ2      DTR  21  13.464   7.585   6.371
  129    HH2  DTR  21           HH2      DTR  21  12.608   9.102   8.103
  130    HZ3  DTR  21           HZ3      DTR  21  10.371  10.068   7.942
  131    HE3  DTR  21           HE3      DTR  21   8.896   9.555   6.041
  Start of MODEL    7
    1    H1   CYS   1           H1       CYS   1  -4.380   0.006   2.651
    2    HA   CYS   1           HA       CYS   1  -5.391  -2.199   1.259
    3    HB2  CYS   1           HB2      CYS   1  -6.394  -2.999   3.213
    4    HB3  CYS   1           HB3      CYS   1  -6.681  -1.383   3.846
    5    H    LEU   2           H        LEU   2  -5.497  -0.949  -0.534
    6    HA   LEU   2           HA       LEU   2  -7.549   1.099  -0.605
    7    HB2  LEU   2           HB2      LEU   2  -4.676   1.655  -1.324
    8    HB3  LEU   2           HB3      LEU   2  -6.015   2.691  -1.782
    9    HG   LEU   2           HG       LEU   2  -5.287   2.041   1.073
   10   HD11  LEU   2          HD11      LEU   2  -4.590   4.425  -0.628
   11   HD12  LEU   2          HD12      LEU   2  -3.477   3.285   0.128
   12   HD13  LEU   2          HD13      LEU   2  -4.436   4.376   1.128
   13   HD21  LEU   2          HD21      LEU   2  -7.663   2.931   0.106
   14   HD22  LEU   2          HD22      LEU   2  -6.824   4.452   0.414
   15   HD23  LEU   2          HD23      LEU   2  -7.041   3.285   1.718
   16    H    GLY   3           H        GLY   3  -7.722   1.978  -2.948
   17    HA2  GLY   3           HA2      GLY   3  -8.059  -0.324  -4.639
   18    HA3  GLY   3           HA3      GLY   3  -8.481   1.334  -5.036
   19    H    VAL   4           H        VAL   4  -5.343   1.380  -3.983
   20    HA   VAL   4           HA       VAL   4  -4.367   1.563  -6.719
   21    HB   VAL   4           HB       VAL   4  -2.791   2.079  -4.200
   22   HG11  VAL   4          HG11      VAL   4  -1.724   3.741  -5.922
   23   HG12  VAL   4          HG12      VAL   4  -2.413   2.630  -7.106
   24   HG13  VAL   4          HG13      VAL   4  -1.257   2.041  -5.911
   25   HG21  VAL   4          HG21      VAL   4  -4.390   3.650  -3.836
   26   HG22  VAL   4          HG22      VAL   4  -4.873   3.712  -5.530
   27   HG23  VAL   4          HG23      VAL   4  -3.415   4.549  -4.998
   28    H    GLY   5           H        GLY   5  -2.260   0.584  -7.283
   29    HA2  GLY   5           HA2      GLY   5  -1.803  -1.960  -5.863
   30    HA3  GLY   5           HA3      GLY   5  -1.931  -1.908  -7.613
   31    H    SER   6           H        SER   6  -0.251   0.379  -5.484
   32    HA   SER   6           HA       SER   6   2.194  -0.106  -7.019
   33    HB2  SER   6           HB2      SER   6   1.379   2.101  -5.119
   34    HB3  SER   6           HB3      SER   6   3.005   1.958  -5.785
   35    HG   SER   6           HG       SER   6   1.315   3.314  -6.920
   36    H    CYS   7           H        CYS   7   0.884  -0.296  -3.787
   37    HA   CYS   7           HA       CYS   7   3.050  -2.055  -2.982
   38    HB2  CYS   7           HB2      CYS   7   2.630   0.681  -1.888
   39    HB3  CYS   7           HB3      CYS   7   3.000  -0.592  -0.731
   40    H    VAL   8           H        VAL   8   2.441  -2.311  -0.300
   41    HA   VAL   8           HA       VAL   8  -0.433  -2.960  -0.307
   42    HB   VAL   8           HB       VAL   8   1.611  -4.697   1.032
   43   HG11  VAL   8          HG11      VAL   8  -0.701  -6.107   0.253
   44   HG12  VAL   8          HG12      VAL   8  -1.229  -4.605   1.006
   45   HG13  VAL   8          HG13      VAL   8  -0.163  -5.701   1.882
   46   HG21  VAL   8          HG21      VAL   8   2.296  -5.204  -1.063
   47   HG22  VAL   8          HG22      VAL   8   0.805  -4.621  -1.804
   48   HG23  VAL   8          HG23      VAL   8   0.851  -6.214  -1.048
   49    H    ASP   9           H        ASP   9  -1.478  -2.918   1.651
   50    HA   ASP   9           HA       ASP   9  -0.119  -1.364   3.741
   51    HB2  ASP   9           HB2      ASP   9  -2.537  -0.990   4.552
   52    HB3  ASP   9           HB3      ASP   9  -2.023  -0.153   3.095
   53    H    PHE  10           H        PHE  10  -1.508  -4.421   3.045
   54    HA   PHE  10           HA       PHE  10  -1.721  -6.333   4.250
   55    HB2  PHE  10           HB2      PHE  10  -0.191  -5.132   6.530
   56    HB3  PHE  10           HB3      PHE  10  -0.154  -6.779   5.911
   57    HD1  PHE  10           HD1      PHE  10   1.388  -3.559   5.851
   58    HD2  PHE  10           HD2      PHE  10   0.957  -7.187   3.669
   59    HE1  PHE  10           HE1      PHE  10   3.413  -3.019   4.562
   60    HE2  PHE  10           HE2      PHE  10   2.982  -6.654   2.376
   61    HZ   PHE  10           HZ       PHE  10   4.213  -4.568   2.822
   62    H    ALA  11           H        ALA  11  -3.639  -4.161   4.542
   63    HA   ALA  11           HA       ALA  11  -4.529  -4.472   7.312
   64    HB1  ALA  11           HB1      ALA  11  -5.136  -2.514   5.146
   65    HB2  ALA  11           HB2      ALA  11  -4.670  -2.228   6.822
   66    HB3  ALA  11           HB3      ALA  11  -6.308  -2.760   6.440
   67    H    GLY  12           H        GLY  12  -4.674  -6.603   5.278
   68    HA2  GLY  12           HA2      GLY  12  -6.300  -8.359   5.360
   69    HA3  GLY  12           HA3      GLY  12  -7.552  -7.142   5.565
   70    H    CYS  13           H        CYS  13  -6.596  -5.424   3.451
   71    HA   CYS  13           HA       CYS  13  -7.810  -6.819   1.225
   72    HB2  CYS  13           HB2      CYS  13  -6.668  -4.026   1.201
   73    HB3  CYS  13           HB3      CYS  13  -7.898  -4.701   0.138
   74    H    GLY  14           H        GLY  14  -4.721  -5.174   1.871
   75    HA2  GLY  14           HA2      GLY  14  -2.625  -6.074   1.241
   76    HA3  GLY  14           HA3      GLY  14  -3.432  -7.048   0.027
   77    H    TYR  15           H        TYR  15  -3.786  -3.549   0.538
   78    HA   TYR  15           HA       TYR  15  -2.151  -3.009  -1.795
   79    HB2  TYR  15           HB2      TYR  15  -5.102  -2.365  -1.759
   80    HB3  TYR  15           HB3      TYR  15  -3.958  -1.750  -2.946
   81    HD1  TYR  15           HD1      TYR  15  -5.871  -4.649  -1.832
   82    HD2  TYR  15           HD2      TYR  15  -2.980  -3.247  -4.621
   83    HE1  TYR  15           HE1      TYR  15  -6.230  -6.657  -3.205
   84    HE2  TYR  15           HE2      TYR  15  -3.332  -5.251  -6.002
   85    HH   TYR  15           HH       TYR  15  -4.989  -7.978  -4.897
   86    H    ALA  16           H        ALA  16  -1.010  -1.265  -1.470
   87    HA   ALA  16           HA       ALA  16  -2.110   1.013   0.001
   88    HB1  ALA  16           HB1      ALA  16   0.583  -0.175   0.636
   89    HB2  ALA  16           HB2      ALA  16  -0.859  -0.343   1.633
   90    HB3  ALA  16           HB3      ALA  16  -0.147   1.247   1.380
   91    H    VAL  17           H        VAL  17  -1.393   2.969  -0.678
   92    HA   VAL  17           HA       VAL  17   0.143   2.980  -3.153
   93    HB   VAL  17           HB       VAL  17  -0.747   5.555  -1.988
   94   HG11  VAL  17          HG11      VAL  17  -0.327   4.317  -4.621
   95   HG12  VAL  17          HG12      VAL  17  -0.044   5.972  -4.083
   96   HG13  VAL  17          HG13      VAL  17  -1.671   5.455  -4.526
   97   HG21  VAL  17          HG21      VAL  17  -2.721   4.518  -1.383
   98   HG22  VAL  17          HG22      VAL  17  -2.647   3.364  -2.713
   99   HG23  VAL  17          HG23      VAL  17  -3.075   5.045  -3.027
  100    H    VAL  18           H        VAL  18   0.979   2.854  -0.057
  101    HA   VAL  18           HA       VAL  18   3.067   4.915  -0.208
  102    HB   VAL  18           HB       VAL  18   2.367   5.244   1.901
  103   HG11  VAL  18          HG11      VAL  18   0.430   3.791   1.681
  104   HG12  VAL  18          HG12      VAL  18   1.153   3.631   3.282
  105   HG13  VAL  18          HG13      VAL  18   1.425   2.385   2.063
  106   HG21  VAL  18          HG21      VAL  18   3.685   4.220   3.549
  107   HG22  VAL  18          HG22      VAL  18   4.648   4.127   2.076
  108   HG23  VAL  18          HG23      VAL  18   3.782   2.704   2.652
  109    H    CYS  19           H        CYS  19   5.229   4.446  -0.025
  110    HA   CYS  19           HA       CYS  19   6.096   1.683   0.175
  111    HB2  CYS  19           HB2      CYS  19   6.841   3.322  -2.251
  112    HB3  CYS  19           HB3      CYS  19   7.292   1.653  -1.921
  113    H    PHE  20           H        PHE  20   7.065   5.024  -0.469
  114    HA   PHE  20           HA       PHE  20   9.572   4.529   0.980
  115    HB2  PHE  20           HB2      PHE  20  10.093   6.899  -0.034
  116    HB3  PHE  20           HB3      PHE  20  10.236   5.453  -1.027
  117    HD1  PHE  20           HD1      PHE  20   9.606   5.887  -3.183
  118    HD2  PHE  20           HD2      PHE  20   7.355   7.600  -0.003
  119    HE1  PHE  20           HE1      PHE  20   8.041   6.855  -4.817
  120    HE2  PHE  20           HE2      PHE  20   5.786   8.569  -1.631
  121    HZ   PHE  20           HZ       PHE  20   6.128   8.197  -4.041
  122    H    DTR  21           H        DTR  21   7.694   4.607   2.748
  123    HA   DTR  21           HA       DTR  21   6.561   5.759   4.397
  124    HB2  DTR  21           HB2      DTR  21   6.419   8.135   4.498
  125    HB3  DTR  21           HB3      DTR  21   7.824   8.337   3.462
  126    HD1  DTR  21           HD1      DTR  21   5.710   5.739   1.954
  127    HE1  DTR  21           HE1      DTR  21   4.265   6.713   0.061
  128    HZ2  DTR  21           HZ2      DTR  21   3.497   9.256  -0.895
  129    HH2  DTR  21           HH2      DTR  21   3.830  11.639  -0.398
  130    HZ3  DTR  21           HZ3      DTR  21   5.227  12.355   1.472
  131    HE3  DTR  21           HE3      DTR  21   6.351  10.717   2.923
  Start of MODEL    8
    1    H1   CYS   1           H1       CYS   1  -3.762   0.289   2.627
    2    HA   CYS   1           HA       CYS   1  -5.118  -1.894   1.529
    3    HB2  CYS   1           HB2      CYS   1  -5.912  -2.457   3.662
    4    HB3  CYS   1           HB3      CYS   1  -6.011  -0.777   4.173
    5    H    LEU   2           H        LEU   2  -5.348  -0.765  -0.324
    6    HA   LEU   2           HA       LEU   2  -7.202   1.468  -0.311
    7    HB2  LEU   2           HB2      LEU   2  -4.424   1.688  -1.462
    8    HB3  LEU   2           HB3      LEU   2  -5.717   2.831  -1.773
    9    HG   LEU   2           HG       LEU   2  -4.594   2.252   0.969
   10   HD11  LEU   2          HD11      LEU   2  -2.854   3.269  -0.295
   11   HD12  LEU   2          HD12      LEU   2  -3.570   4.522   0.719
   12   HD13  LEU   2          HD13      LEU   2  -3.967   4.443  -0.997
   13   HD21  LEU   2          HD21      LEU   2  -6.112   3.677   1.804
   14   HD22  LEU   2          HD22      LEU   2  -7.009   3.332   0.326
   15   HD23  LEU   2          HD23      LEU   2  -5.992   4.770   0.426
   16    H    GLY   3           H        GLY   3  -7.587   2.197  -2.684
   17    HA2  GLY   3           HA2      GLY   3  -8.188  -0.232  -4.168
   18    HA3  GLY   3           HA3      GLY   3  -8.765   1.387  -4.537
   19    H    VAL   4           H        VAL   4  -5.409   1.124  -3.939
   20    HA   VAL   4           HA       VAL   4  -4.859   1.696  -6.737
   21    HB   VAL   4           HB       VAL   4  -3.893   2.926  -4.657
   22   HG11  VAL   4          HG11      VAL   4  -2.882   0.472  -4.049
   23   HG12  VAL   4          HG12      VAL   4  -2.269   2.003  -3.431
   24   HG13  VAL   4          HG13      VAL   4  -1.507   1.251  -4.828
   25   HG21  VAL   4          HG21      VAL   4  -1.575   2.660  -6.272
   26   HG22  VAL   4          HG22      VAL   4  -2.773   3.954  -6.264
   27   HG23  VAL   4          HG23      VAL   4  -2.993   2.555  -7.316
   28    H    GLY   5           H        GLY   5  -2.172   0.714  -6.815
   29    HA2  GLY   5           HA2      GLY   5  -2.164  -2.096  -6.261
   30    HA3  GLY   5           HA3      GLY   5  -2.466  -1.757  -7.957
   31    H    SER   6           H        SER   6  -0.408   0.296  -6.007
   32    HA   SER   6           HA       SER   6   1.846  -0.443  -7.716
   33    HB2  SER   6           HB2      SER   6   2.090   1.743  -5.709
   34    HB3  SER   6           HB3      SER   6   2.691   1.662  -7.364
   35    HG   SER   6           HG       SER   6   0.756   3.078  -6.743
   36    H    CYS   7           H        CYS   7   0.785  -0.497  -4.396
   37    HA   CYS   7           HA       CYS   7   2.939  -2.323  -3.721
   38    HB2  CYS   7           HB2      CYS   7   3.358   0.306  -3.153
   39    HB3  CYS   7           HB3      CYS   7   2.551  -0.221  -1.680
   40    H    VAL   8           H        VAL   8   2.520  -2.419  -0.970
   41    HA   VAL   8           HA       VAL   8  -0.353  -2.990  -0.708
   42    HB   VAL   8           HB       VAL   8   1.718  -4.822   0.445
   43   HG11  VAL   8          HG11      VAL   8  -1.068  -4.580   0.739
   44   HG12  VAL   8          HG12      VAL   8  -0.005  -5.818   1.401
   45   HG13  VAL   8          HG13      VAL   8  -0.770  -6.061  -0.169
   46   HG21  VAL   8          HG21      VAL   8   0.431  -4.935  -2.262
   47   HG22  VAL   8          HG22      VAL   8   1.027  -6.385  -1.453
   48   HG23  VAL   8          HG23      VAL   8   2.140  -5.075  -1.848
   49    H    ASP   9           H        ASP   9  -1.185  -2.859   1.349
   50    HA   ASP   9           HA       ASP   9   0.498  -1.409   3.271
   51    HB2  ASP   9           HB2      ASP   9  -1.750  -0.774   4.307
   52    HB3  ASP   9           HB3      ASP   9  -1.364  -0.053   2.751
   53    H    PHE  10           H        PHE  10  -1.006  -4.390   2.715
   54    HA   PHE  10           HA       PHE  10  -1.354  -6.249   3.968
   55    HB2  PHE  10           HB2      PHE  10   1.144  -5.177   4.690
   56    HB3  PHE  10           HB3      PHE  10   0.378  -5.661   6.199
   57    HD1  PHE  10           HD1      PHE  10   1.492  -7.589   6.841
   58    HD2  PHE  10           HD2      PHE  10   0.134  -7.205   2.826
   59    HE1  PHE  10           HE1      PHE  10   2.119  -9.928   6.409
   60    HE2  PHE  10           HE2      PHE  10   0.758  -9.544   2.387
   61    HZ   PHE  10           HZ       PHE  10   1.752 -10.909   4.180
   62    H    ALA  11           H        ALA  11  -3.012  -3.921   4.512
   63    HA   ALA  11           HA       ALA  11  -3.543  -4.184   7.375
   64    HB1  ALA  11           HB1      ALA  11  -5.326  -2.340   6.609
   65    HB2  ALA  11           HB2      ALA  11  -4.124  -2.126   5.335
   66    HB3  ALA  11           HB3      ALA  11  -3.657  -1.948   7.026
   67    H    GLY  12           H        GLY  12  -4.142  -6.259   5.352
   68    HA2  GLY  12           HA2      GLY  12  -5.879  -7.884   5.661
   69    HA3  GLY  12           HA3      GLY  12  -6.986  -6.574   6.048
   70    H    CYS  13           H        CYS  13  -6.041  -4.950   3.781
   71    HA   CYS  13           HA       CYS  13  -7.718  -6.185   1.752
   72    HB2  CYS  13           HB2      CYS  13  -6.367  -3.481   1.673
   73    HB3  CYS  13           HB3      CYS  13  -7.701  -4.034   0.665
   74    H    GLY  14           H        GLY  14  -4.404  -5.018   2.146
   75    HA2  GLY  14           HA2      GLY  14  -2.498  -5.959   1.192
   76    HA3  GLY  14           HA3      GLY  14  -3.521  -6.908   0.128
   77    H    TYR  15           H        TYR  15  -3.600  -3.388   0.561
   78    HA   TYR  15           HA       TYR  15  -2.262  -3.001  -1.985
   79    HB2  TYR  15           HB2      TYR  15  -5.136  -2.171  -1.567
   80    HB3  TYR  15           HB3      TYR  15  -4.140  -1.693  -2.937
   81    HD1  TYR  15           HD1      TYR  15  -6.204  -4.284  -1.496
   82    HD2  TYR  15           HD2      TYR  15  -3.364  -3.445  -4.550
   83    HE1  TYR  15           HE1      TYR  15  -6.889  -6.324  -2.685
   84    HE2  TYR  15           HE2      TYR  15  -4.042  -5.483  -5.748
   85    HH   TYR  15           HH       TYR  15  -6.051  -7.871  -4.323
   86    H    ALA  16           H        ALA  16  -0.980  -1.316  -1.846
   87    HA   ALA  16           HA       ALA  16  -1.754   1.022  -0.245
   88    HB1  ALA  16           HB1      ALA  16   0.922  -0.350  -0.087
   89    HB2  ALA  16           HB2      ALA  16  -0.298  -0.286   1.184
   90    HB3  ALA  16           HB3      ALA  16   0.513   1.190   0.668
   91    H    VAL  17           H        VAL  17  -1.025   2.970  -0.989
   92    HA   VAL  17           HA       VAL  17  -0.051   2.976  -3.735
   93    HB   VAL  17           HB       VAL  17  -0.728   5.399  -2.066
   94   HG11  VAL  17          HG11      VAL  17  -0.442   4.861  -5.006
   95   HG12  VAL  17          HG12      VAL  17   0.408   6.045  -4.012
   96   HG13  VAL  17          HG13      VAL  17  -1.298   6.275  -4.392
   97   HG21  VAL  17          HG21      VAL  17  -2.576   3.567  -2.303
   98   HG22  VAL  17          HG22      VAL  17  -2.699   4.187  -3.948
   99   HG23  VAL  17          HG23      VAL  17  -2.968   5.263  -2.579
  100    H    VAL  18           H        VAL  18   1.257   2.965  -0.685
  101    HA   VAL  18           HA       VAL  18   3.816   3.935  -1.687
  102    HB   VAL  18           HB       VAL  18   2.846   5.030   0.940
  103   HG11  VAL  18          HG11      VAL  18   5.248   5.240  -0.706
  104   HG12  VAL  18          HG12      VAL  18   5.019   5.552   1.015
  105   HG13  VAL  18          HG13      VAL  18   4.621   6.798  -0.167
  106   HG21  VAL  18          HG21      VAL  18   2.424   7.175  -0.285
  107   HG22  VAL  18          HG22      VAL  18   1.262   5.893  -0.623
  108   HG23  VAL  18          HG23      VAL  18   2.530   6.263  -1.791
  109    H    CYS  19           H        CYS  19   5.616   3.335  -0.325
  110    HA   CYS  19           HA       CYS  19   5.055   1.432   1.814
  111    HB2  CYS  19           HB2      CYS  19   6.354   0.763  -0.797
  112    HB3  CYS  19           HB3      CYS  19   6.904  -0.051   0.664
  113    H    PHE  20           H        PHE  20   6.367   4.148   1.352
  114    HA   PHE  20           HA       PHE  20   8.663   3.627   3.050
  115    HB2  PHE  20           HB2      PHE  20  10.018   5.247   1.523
  116    HB3  PHE  20           HB3      PHE  20   9.898   3.548   1.081
  117    HD1  PHE  20           HD1      PHE  20   8.713   6.943   0.313
  118    HD2  PHE  20           HD2      PHE  20   8.754   2.861  -0.891
  119    HE1  PHE  20           HE1      PHE  20   7.810   7.585  -1.884
  120    HE2  PHE  20           HE2      PHE  20   7.853   3.496  -3.090
  121    HZ   PHE  20           HZ       PHE  20   7.380   5.861  -3.589
  122    H    DTR  21           H        DTR  21   6.314   4.756   3.786
  123    HA   DTR  21           HA       DTR  21   5.573   7.279   3.668
  124    HB2  DTR  21           HB2      DTR  21   7.917   8.075   3.783
  125    HB3  DTR  21           HB3      DTR  21   6.950   8.681   5.118
  126    HD1  DTR  21           HD1      DTR  21   9.797   6.209   4.383
  127    HE1  DTR  21           HE1      DTR  21  10.998   5.676   6.594
  128    HZ2  DTR  21           HZ2      DTR  21  10.656   6.200   9.346
  129    HH2  DTR  21           HH2      DTR  21   9.118   7.363  10.869
  130    HZ3  DTR  21           HZ3      DTR  21   7.154   8.541  10.024
  131    HE3  DTR  21           HE3      DTR  21   6.645   8.605   7.618
  Start of MODEL    9
    1    H1   CYS   1           H1       CYS   1  -4.141   0.193   2.402
    2    HA   CYS   1           HA       CYS   1  -5.184  -2.090   1.152
    3    HB2  CYS   1           HB2      CYS   1  -6.008  -2.948   3.135
    4    HB3  CYS   1           HB3      CYS   1  -6.219  -1.361   3.860
    5    H    LEU   2           H        LEU   2  -5.494  -0.862  -0.642
    6    HA   LEU   2           HA       LEU   2  -7.714   1.001  -0.575
    7    HB2  LEU   2           HB2      LEU   2  -6.100   2.490  -2.139
    8    HB3  LEU   2           HB3      LEU   2  -6.363   2.787  -0.433
    9    HG   LEU   2           HG       LEU   2  -4.288   1.170  -0.176
   10   HD11  LEU   2          HD11      LEU   2  -2.761   2.041  -2.183
   11   HD12  LEU   2          HD12      LEU   2  -4.306   1.956  -3.023
   12   HD13  LEU   2          HD13      LEU   2  -3.645   0.517  -2.249
   13   HD21  LEU   2          HD21      LEU   2  -4.066   4.054  -1.023
   14   HD22  LEU   2          HD22      LEU   2  -2.853   3.139  -0.128
   15   HD23  LEU   2          HD23      LEU   2  -4.419   3.479   0.607
   16    H    GLY   3           H        GLY   3  -8.096   1.860  -2.915
   17    HA2  GLY   3           HA2      GLY   3  -8.476  -0.459  -4.539
   18    HA3  GLY   3           HA3      GLY   3  -8.903   1.189  -4.966
   19    H    VAL   4           H        VAL   4  -5.737   1.323  -4.103
   20    HA   VAL   4           HA       VAL   4  -4.902   1.330  -6.894
   21    HB   VAL   4           HB       VAL   4  -3.128   2.004  -4.562
   22   HG11  VAL   4          HG11      VAL   4  -1.763   2.108  -6.361
   23   HG12  VAL   4          HG12      VAL   4  -2.472   3.716  -6.514
   24   HG13  VAL   4          HG13      VAL   4  -3.089   2.383  -7.491
   25   HG21  VAL   4          HG21      VAL   4  -4.515   3.659  -3.993
   26   HG22  VAL   4          HG22      VAL   4  -5.523   3.404  -5.417
   27   HG23  VAL   4          HG23      VAL   4  -4.085   4.418  -5.525
   28    H    GLY   5           H        GLY   5  -2.748   0.386  -7.453
   29    HA2  GLY   5           HA2      GLY   5  -2.159  -2.035  -5.882
   30    HA3  GLY   5           HA3      GLY   5  -2.428  -2.151  -7.613
   31    H    SER   6           H        SER   6  -0.654   0.399  -5.907
   32    HA   SER   6           HA       SER   6   1.655  -0.151  -7.599
   33    HB2  SER   6           HB2      SER   6   2.412   2.000  -7.075
   34    HB3  SER   6           HB3      SER   6   0.660   2.196  -7.060
   35    HG   SER   6           HG       SER   6   2.403   1.921  -4.844
   36    H    CYS   7           H        CYS   7   0.653  -0.314  -4.267
   37    HA   CYS   7           HA       CYS   7   2.944  -1.977  -3.623
   38    HB2  CYS   7           HB2      CYS   7   3.180   0.673  -3.048
   39    HB3  CYS   7           HB3      CYS   7   2.414   0.091  -1.574
   40    H    VAL   8           H        VAL   8   2.456  -1.935  -0.787
   41    HA   VAL   8           HA       VAL   8  -0.344  -2.799  -0.613
   42    HB   VAL   8           HB       VAL   8   1.861  -4.398   0.627
   43   HG11  VAL   8          HG11      VAL   8  -0.339  -6.006   0.257
   44   HG12  VAL   8          HG12      VAL   8  -1.028  -4.449   0.710
   45   HG13  VAL   8          HG13      VAL   8   0.148  -5.229   1.762
   46   HG21  VAL   8          HG21      VAL   8   0.379  -5.144  -1.880
   47   HG22  VAL   8          HG22      VAL   8   1.740  -5.985  -1.139
   48   HG23  VAL   8          HG23      VAL   8   1.980  -4.405  -1.885
   49    H    ASP   9           H        ASP   9  -1.267  -2.680   1.376
   50    HA   ASP   9           HA       ASP   9   0.175  -1.024   3.329
   51    HB2  ASP   9           HB2      ASP   9  -2.182  -0.657   4.276
   52    HB3  ASP   9           HB3      ASP   9  -1.809   0.101   2.734
   53    H    PHE  10           H        PHE  10  -1.180  -4.139   2.832
   54    HA   PHE  10           HA       PHE  10  -1.306  -6.003   4.124
   55    HB2  PHE  10           HB2      PHE  10   1.016  -4.559   5.018
   56    HB3  PHE  10           HB3      PHE  10   0.271  -5.376   6.385
   57    HD1  PHE  10           HD1      PHE  10   0.101  -6.703   2.959
   58    HD2  PHE  10           HD2      PHE  10   2.074  -6.903   6.725
   59    HE1  PHE  10           HE1      PHE  10   1.176  -8.807   2.280
   60    HE2  PHE  10           HE2      PHE  10   3.151  -9.008   6.052
   61    HZ   PHE  10           HZ       PHE  10   2.705  -9.963   3.827
   62    H    ALA  11           H        ALA  11  -3.183  -3.824   4.550
   63    HA   ALA  11           HA       ALA  11  -3.763  -4.044   7.407
   64    HB1  ALA  11           HB1      ALA  11  -4.046  -1.835   6.970
   65    HB2  ALA  11           HB2      ALA  11  -5.671  -2.383   6.556
   66    HB3  ALA  11           HB3      ALA  11  -4.480  -2.115   5.283
   67    H    GLY  12           H        GLY  12  -4.133  -6.213   5.414
   68    HA2  GLY  12           HA2      GLY  12  -5.751  -7.964   5.809
   69    HA3  GLY  12           HA3      GLY  12  -6.977  -6.722   6.015
   70    H    CYS  13           H        CYS  13  -6.072  -5.200   3.679
   71    HA   CYS  13           HA       CYS  13  -7.479  -6.764   1.674
   72    HB2  CYS  13           HB2      CYS  13  -6.407  -3.951   1.413
   73    HB3  CYS  13           HB3      CYS  13  -7.630  -4.726   0.412
   74    H    GLY  14           H        GLY  14  -4.440  -4.894   1.796
   75    HA2  GLY  14           HA2      GLY  14  -2.361  -5.908   1.132
   76    HA3  GLY  14           HA3      GLY  14  -3.259  -6.918   0.014
   77    H    TYR  15           H        TYR  15  -3.593  -3.407   0.430
   78    HA   TYR  15           HA       TYR  15  -2.120  -2.938  -2.022
   79    HB2  TYR  15           HB2      TYR  15  -5.090  -2.708  -1.830
   80    HB3  TYR  15           HB3      TYR  15  -4.214  -1.543  -2.818
   81    HD1  TYR  15           HD1      TYR  15  -2.098  -3.165  -4.010
   82    HD2  TYR  15           HD2      TYR  15  -6.183  -4.127  -3.311
   83    HE1  TYR  15           HE1      TYR  15  -2.029  -4.781  -5.861
   84    HE2  TYR  15           HE2      TYR  15  -6.125  -5.747  -5.160
   85    HH   TYR  15           HH       TYR  15  -3.211  -6.757  -6.628
   86    H    ALA  16           H        ALA  16  -0.995  -1.155  -1.862
   87    HA   ALA  16           HA       ALA  16  -2.022   1.184  -0.449
   88    HB1  ALA  16           HB1      ALA  16  -0.727  -0.121   1.212
   89    HB2  ALA  16           HB2      ALA  16  -0.062   1.479   0.895
   90    HB3  ALA  16           HB3      ALA  16   0.693   0.053   0.184
   91    H    VAL  17           H        VAL  17  -1.166   3.122  -1.127
   92    HA   VAL  17           HA       VAL  17   0.173   3.027  -3.712
   93    HB   VAL  17           HB       VAL  17  -0.743   5.491  -2.225
   94   HG11  VAL  17          HG11      VAL  17   0.306   4.907  -4.920
   95   HG12  VAL  17          HG12      VAL  17   0.440   6.366  -3.938
   96   HG13  VAL  17          HG13      VAL  17  -1.041   6.043  -4.839
   97   HG21  VAL  17          HG21      VAL  17  -2.641   5.039  -4.148
   98   HG22  VAL  17          HG22      VAL  17  -2.823   4.694  -2.429
   99   HG23  VAL  17          HG23      VAL  17  -2.324   3.417  -3.536
  100    H    VAL  18           H        VAL  18   1.166   2.901  -0.628
  101    HA   VAL  18           HA       VAL  18   3.677   4.311  -1.248
  102    HB   VAL  18           HB       VAL  18   2.414   4.334   1.490
  103   HG11  VAL  18          HG11      VAL  18   4.099   6.232   1.761
  104   HG12  VAL  18          HG12      VAL  18   4.846   5.617   0.287
  105   HG13  VAL  18          HG13      VAL  18   4.735   4.587   1.714
  106   HG21  VAL  18          HG21      VAL  18   1.916   6.714   1.060
  107   HG22  VAL  18          HG22      VAL  18   1.008   5.628   0.008
  108   HG23  VAL  18          HG23      VAL  18   2.413   6.492  -0.617
  109    H    CYS  19           H        CYS  19   5.515   3.558   0.020
  110    HA   CYS  19           HA       CYS  19   5.193   0.843   1.095
  111    HB2  CYS  19           HB2      CYS  19   7.582   1.571  -0.578
  112    HB3  CYS  19           HB3      CYS  19   6.988  -0.028  -0.144
  113    H    PHE  20           H        PHE  20   7.242   3.702   0.834
  114    HA   PHE  20           HA       PHE  20   8.097   3.284   3.599
  115    HB2  PHE  20           HB2      PHE  20  10.399   4.270   2.628
  116    HB3  PHE  20           HB3      PHE  20  10.084   2.544   2.761
  117    HD1  PHE  20           HD1      PHE  20  10.156   5.405   0.436
  118    HD2  PHE  20           HD2      PHE  20   9.914   1.176   0.840
  119    HE1  PHE  20           HE1      PHE  20  10.539   5.156  -1.982
  120    HE2  PHE  20           HE2      PHE  20  10.298   0.918  -1.576
  121    HZ   PHE  20           HZ       PHE  20  10.611   2.910  -2.991
  122    H    DTR  21           H        DTR  21   7.388   4.991   4.636
  123    HA   DTR  21           HA       DTR  21   6.313   7.291   3.964
  124    HB2  DTR  21           HB2      DTR  21   8.013   8.038   2.475
  125    HB3  DTR  21           HB3      DTR  21   8.185   9.012   3.928
  126    HD1  DTR  21           HD1      DTR  21   9.694   6.100   5.167
  127    HE1  DTR  21           HE1      DTR  21  12.230   5.993   4.734
  128    HZ2  DTR  21           HZ2      DTR  21  14.126   7.246   3.059
  129    HH2  DTR  21           HH2      DTR  21  14.252   8.955   1.298
  130    HZ3  DTR  21           HZ3      DTR  21  12.253  10.128   0.531
  131    HE3  DTR  21           HE3      DTR  21  10.042   9.641   1.495
  Start of MODEL   10
    1    H1   CYS   1           H1       CYS   1  -4.217  -0.086   2.818
    2    HA   CYS   1           HA       CYS   1  -5.336  -2.271   1.482
    3    HB2  CYS   1           HB2      CYS   1  -6.321  -3.032   3.445
    4    HB3  CYS   1           HB3      CYS   1  -6.459  -1.416   4.125
    5    H    LEU   2           H        LEU   2  -5.468  -1.048  -0.319
    6    HA   LEU   2           HA       LEU   2  -7.440   1.082  -0.346
    7    HB2  LEU   2           HB2      LEU   2  -4.590   1.514  -1.227
    8    HB3  LEU   2           HB3      LEU   2  -5.912   2.608  -1.582
    9    HG   LEU   2           HG       LEU   2  -5.102   1.903   1.233
   10   HD11  LEU   2          HD11      LEU   2  -3.872   3.994   1.299
   11   HD12  LEU   2          HD12      LEU   2  -4.225   4.275  -0.406
   12   HD13  LEU   2          HD13      LEU   2  -3.201   2.920   0.072
   13   HD21  LEU   2          HD21      LEU   2  -6.362   4.474   0.543
   14   HD22  LEU   2          HD22      LEU   2  -6.640   3.403   1.916
   15   HD23  LEU   2          HD23      LEU   2  -7.380   3.046   0.356
   16    H    GLY   3           H        GLY   3  -7.714   1.912  -2.674
   17    HA2  GLY   3           HA2      GLY   3  -7.978  -0.449  -4.358
   18    HA3  GLY   3           HA3      GLY   3  -8.686   1.131  -4.659
   19    H    VAL   4           H        VAL   4  -5.355   1.069  -3.827
   20    HA   VAL   4           HA       VAL   4  -4.672   1.956  -6.510
   21    HB   VAL   4           HB       VAL   4  -3.938   3.025  -4.241
   22   HG11  VAL   4          HG11      VAL   4  -2.313   2.098  -3.024
   23   HG12  VAL   4          HG12      VAL   4  -1.396   1.614  -4.447
   24   HG13  VAL   4          HG13      VAL   4  -2.720   0.605  -3.867
   25   HG21  VAL   4          HG21      VAL   4  -1.541   3.259  -5.641
   26   HG22  VAL   4          HG22      VAL   4  -2.959   4.300  -5.767
   27   HG23  VAL   4          HG23      VAL   4  -2.767   2.935  -6.868
   28    H    GLY   5           H        GLY   5  -1.895   1.162  -6.432
   29    HA2  GLY   5           HA2      GLY   5  -1.739  -1.684  -6.180
   30    HA3  GLY   5           HA3      GLY   5  -1.926  -1.182  -7.853
   31    H    SER   6           H        SER   6  -0.128   0.529  -5.328
   32    HA   SER   6           HA       SER   6   2.286   0.225  -6.975
   33    HB2  SER   6           HB2      SER   6   1.875   2.522  -6.643
   34    HB3  SER   6           HB3      SER   6   1.427   2.287  -4.953
   35    HG   SER   6           HG       SER   6   4.013   2.082  -6.099
   36    H    CYS   7           H        CYS   7   0.999  -0.202  -3.747
   37    HA   CYS   7           HA       CYS   7   3.112  -2.096  -3.134
   38    HB2  CYS   7           HB2      CYS   7   3.417   0.506  -2.265
   39    HB3  CYS   7           HB3      CYS   7   2.661  -0.274  -0.881
   40    H    VAL   8           H        VAL   8   2.492  -2.316  -0.365
   41    HA   VAL   8           HA       VAL   8  -0.370  -2.984  -0.390
   42    HB   VAL   8           HB       VAL   8   1.663  -4.824   0.821
   43   HG11  VAL   8          HG11      VAL   8  -0.090  -5.917   1.602
   44   HG12  VAL   8          HG12      VAL   8  -0.736  -6.095  -0.029
   45   HG13  VAL   8          HG13      VAL   8  -1.143  -4.675   0.931
   46   HG21  VAL   8          HG21      VAL   8   2.306  -5.227  -1.312
   47   HG22  VAL   8          HG22      VAL   8   0.805  -4.598  -1.992
   48   HG23  VAL   8          HG23      VAL   8   0.852  -6.225  -1.315
   49    H    ASP   9           H        ASP   9  -1.374  -3.029   1.605
   50    HA   ASP   9           HA       ASP   9   0.073  -1.606   3.728
   51    HB2  ASP   9           HB2      ASP   9  -2.285  -1.113   4.583
   52    HB3  ASP   9           HB3      ASP   9  -1.796  -0.309   3.097
   53    H    PHE  10           H        PHE  10  -1.353  -4.597   2.919
   54    HA   PHE  10           HA       PHE  10  -1.654  -6.538   4.055
   55    HB2  PHE  10           HB2      PHE  10   0.045  -5.319   6.232
   56    HB3  PHE  10           HB3      PHE  10  -0.177  -7.028   5.872
   57    HD1  PHE  10           HD1      PHE  10   1.825  -4.150   5.320
   58    HD2  PHE  10           HD2      PHE  10   0.654  -7.859   3.593
   59    HE1  PHE  10           HE1      PHE  10   3.809  -4.094   3.865
   60    HE2  PHE  10           HE2      PHE  10   2.636  -7.810   2.136
   61    HZ   PHE  10           HZ       PHE  10   4.216  -5.926   2.271
   62    H    ALA  11           H        ALA  11  -3.506  -4.327   4.456
   63    HA   ALA  11           HA       ALA  11  -4.380  -4.747   7.219
   64    HB1  ALA  11           HB1      ALA  11  -4.222  -2.446   5.826
   65    HB2  ALA  11           HB2      ALA  11  -5.338  -2.704   7.166
   66    HB3  ALA  11           HB3      ALA  11  -5.897  -2.894   5.504
   67    H    GLY  12           H        GLY  12  -4.619  -6.746   5.063
   68    HA2  GLY  12           HA2      GLY  12  -6.299  -8.444   5.026
   69    HA3  GLY  12           HA3      GLY  12  -7.507  -7.212   5.363
   70    H    CYS  13           H        CYS  13  -6.498  -5.365   3.369
   71    HA   CYS  13           HA       CYS  13  -7.811  -6.532   1.062
   72    HB2  CYS  13           HB2      CYS  13  -6.631  -3.762   1.299
   73    HB3  CYS  13           HB3      CYS  13  -7.859  -4.313   0.165
   74    H    GLY  14           H        GLY  14  -4.636  -5.328   1.998
   75    HA2  GLY  14           HA2      GLY  14  -2.579  -6.011   1.195
   76    HA3  GLY  14           HA3      GLY  14  -3.397  -6.972  -0.022
   77    H    TYR  15           H        TYR  15  -3.670  -3.477   0.598
   78    HA   TYR  15           HA       TYR  15  -2.153  -2.907  -1.807
   79    HB2  TYR  15           HB2      TYR  15  -5.114  -2.505  -1.599
   80    HB3  TYR  15           HB3      TYR  15  -4.148  -1.405  -2.577
   81    HD1  TYR  15           HD1      TYR  15  -2.234  -3.015  -3.929
   82    HD2  TYR  15           HD2      TYR  15  -6.260  -3.981  -2.949
   83    HE1  TYR  15           HE1      TYR  15  -2.297  -4.616  -5.794
   84    HE2  TYR  15           HE2      TYR  15  -6.334  -5.585  -4.811
   85    HH   TYR  15           HH       TYR  15  -4.279  -6.988  -6.116
   86    H    ALA  16           H        ALA  16  -0.903  -1.249  -1.416
   87    HA   ALA  16           HA       ALA  16  -1.862   0.960   0.273
   88    HB1  ALA  16           HB1      ALA  16   0.835  -0.368   0.451
   89    HB2  ALA  16           HB2      ALA  16  -0.425  -0.353   1.685
   90    HB3  ALA  16           HB3      ALA  16   0.402   1.142   1.251
   91    H    VAL  17           H        VAL  17  -1.243   2.976  -0.337
   92    HA   VAL  17           HA       VAL  17  -0.135   3.208  -3.021
   93    HB   VAL  17           HB       VAL  17  -1.075   5.463  -1.243
   94   HG11  VAL  17          HG11      VAL  17   0.058   6.437  -2.994
   95   HG12  VAL  17          HG12      VAL  17  -1.585   6.376  -3.632
   96   HG13  VAL  17          HG13      VAL  17  -0.399   5.172  -4.135
   97   HG21  VAL  17          HG21      VAL  17  -2.756   3.519  -1.780
   98   HG22  VAL  17          HG22      VAL  17  -2.823   4.303  -3.358
   99   HG23  VAL  17          HG23      VAL  17  -3.257   5.205  -1.908
  100    H    VAL  18           H        VAL  18   1.068   3.046   0.049
  101    HA   VAL  18           HA       VAL  18   3.545   4.370  -0.766
  102    HB   VAL  18           HB       VAL  18   2.397   4.931   1.962
  103   HG11  VAL  18          HG11      VAL  18   4.071   6.953   1.435
  104   HG12  VAL  18          HG12      VAL  18   4.823   5.693   0.458
  105   HG13  VAL  18          HG13      VAL  18   4.589   5.446   2.189
  106   HG21  VAL  18          HG21      VAL  18   0.834   6.035   0.654
  107   HG22  VAL  18          HG22      VAL  18   2.006   6.411  -0.610
  108   HG23  VAL  18          HG23      VAL  18   2.052   7.283   0.922
  109    H    CYS  19           H        CYS  19   5.383   3.786   0.595
  110    HA   CYS  19           HA       CYS  19   5.027   1.535   2.391
  111    HB2  CYS  19           HB2      CYS  19   6.068   1.276  -0.346
  112    HB3  CYS  19           HB3      CYS  19   7.091   0.551   0.890
  113    H    PHE  20           H        PHE  20   7.330   3.629   0.707
  114    HA   PHE  20           HA       PHE  20   8.954   3.669   3.164
  115    HB2  PHE  20           HB2      PHE  20  10.673   4.547   1.212
  116    HB3  PHE  20           HB3      PHE  20  10.610   2.907   1.846
  117    HD1  PHE  20           HD1      PHE  20  10.023   1.107   0.474
  118    HD2  PHE  20           HD2      PHE  20   9.374   5.089  -0.878
  119    HE1  PHE  20           HE1      PHE  20   9.506   0.254  -1.775
  120    HE2  PHE  20           HE2      PHE  20   8.854   4.244  -3.130
  121    HZ   PHE  20           HZ       PHE  20   8.920   1.823  -3.580
  122    H    DTR  21           H        DTR  21   7.869   5.562   0.394
  123    HA   DTR  21           HA       DTR  21   8.795   8.015   0.589
  124    HB2  DTR  21           HB2      DTR  21   8.483   8.016   3.059
  125    HB3  DTR  21           HB3      DTR  21   7.606   9.312   2.264
  126    HD1  DTR  21           HD1      DTR  21   6.955   5.905   3.961
  127    HE1  DTR  21           HE1      DTR  21   4.514   5.870   4.770
  128    HZ2  DTR  21           HZ2      DTR  21   2.219   7.503   4.584
  129    HH2  DTR  21           HH2      DTR  21   1.495   9.636   3.604
  130    HZ3  DTR  21           HZ3      DTR  21   3.037  11.022   2.315
  131    HE3  DTR  21           HE3      DTR  21   5.370  10.330   1.951
  Start of MODEL   11
    1    H1   CYS   1           H1       CYS   1  -3.816   0.342   2.991
    2    HA   CYS   1           HA       CYS   1  -5.307  -1.932   2.118
    3    HB2  CYS   1           HB2      CYS   1  -5.643  -0.903   4.755
    4    HB3  CYS   1           HB3      CYS   1  -7.060  -0.451   3.814
    5    H    LEU   2           H        LEU   2  -5.308  -0.941   0.097
    6    HA   LEU   2           HA       LEU   2  -7.228   1.216  -0.191
    7    HB2  LEU   2           HB2      LEU   2  -4.381   1.446  -1.145
    8    HB3  LEU   2           HB3      LEU   2  -5.681   2.480  -1.706
    9    HG   LEU   2           HG       LEU   2  -4.824   2.271   1.179
   10   HD11  LEU   2          HD11      LEU   2  -3.679   4.362   0.880
   11   HD12  LEU   2          HD12      LEU   2  -4.170   4.434  -0.813
   12   HD13  LEU   2          HD13      LEU   2  -3.046   3.188  -0.272
   13   HD21  LEU   2          HD21      LEU   2  -7.189   3.161   0.183
   14   HD22  LEU   2          HD22      LEU   2  -6.235   4.644   0.189
   15   HD23  LEU   2          HD23      LEU   2  -6.454   3.730   1.682
   16    H    GLY   3           H        GLY   3  -7.692   1.658  -2.538
   17    HA2  GLY   3           HA2      GLY   3  -7.895  -0.912  -3.902
   18    HA3  GLY   3           HA3      GLY   3  -8.758   0.561  -4.321
   19    H    VAL   4           H        VAL   4  -5.352   0.738  -3.762
   20    HA   VAL   4           HA       VAL   4  -4.949   1.447  -6.555
   21    HB   VAL   4           HB       VAL   4  -4.065   2.729  -4.477
   22   HG11  VAL   4          HG11      VAL   4  -2.735   0.364  -4.006
   23   HG12  VAL   4          HG12      VAL   4  -2.387   1.925  -3.268
   24   HG13  VAL   4          HG13      VAL   4  -1.494   1.410  -4.696
   25   HG21  VAL   4          HG21      VAL   4  -3.281   2.592  -7.151
   26   HG22  VAL   4          HG22      VAL   4  -1.784   2.655  -6.221
   27   HG23  VAL   4          HG23      VAL   4  -3.002   3.913  -6.017
   28    H    GLY   5           H        GLY   5  -2.149   0.753  -6.700
   29    HA2  GLY   5           HA2      GLY   5  -1.925  -2.087  -6.287
   30    HA3  GLY   5           HA3      GLY   5  -2.189  -1.653  -7.967
   31    H    SER   6           H        SER   6  -0.358   0.430  -5.841
   32    HA   SER   6           HA       SER   6   2.002  -0.041  -7.494
   33    HB2  SER   6           HB2      SER   6   2.870   1.948  -6.049
   34    HB3  SER   6           HB3      SER   6   1.648   2.261  -7.281
   35    HG   SER   6           HG       SER   6   1.042   1.745  -4.560
   36    H    CYS   7           H        CYS   7   0.891  -0.289  -4.184
   37    HA   CYS   7           HA       CYS   7   3.038  -2.145  -3.572
   38    HB2  CYS   7           HB2      CYS   7   3.066   0.597  -2.668
   39    HB3  CYS   7           HB3      CYS   7   2.913  -0.485  -1.289
   40    H    VAL   8           H        VAL   8   2.570  -2.315  -0.802
   41    HA   VAL   8           HA       VAL   8  -0.311  -2.879  -0.633
   42    HB   VAL   8           HB       VAL   8   1.725  -4.762   0.497
   43   HG11  VAL   8          HG11      VAL   8  -0.033  -5.662   1.486
   44   HG12  VAL   8          HG12      VAL   8  -0.707  -6.035  -0.100
   45   HG13  VAL   8          HG13      VAL   8  -1.106  -4.512   0.692
   46   HG21  VAL   8          HG21      VAL   8   2.203  -5.250  -1.662
   47   HG22  VAL   8          HG22      VAL   8   0.686  -4.576  -2.258
   48   HG23  VAL   8          HG23      VAL   8   0.714  -6.186  -1.538
   49    H    ASP   9           H        ASP   9  -1.202  -2.799   1.390
   50    HA   ASP   9           HA       ASP   9   0.455  -1.465   3.423
   51    HB2  ASP   9           HB2      ASP   9  -1.697  -0.659   4.398
   52    HB3  ASP   9           HB3      ASP   9  -1.391  -0.062   2.775
   53    H    PHE  10           H        PHE  10  -1.145  -4.357   2.704
   54    HA   PHE  10           HA       PHE  10  -1.613  -6.247   3.875
   55    HB2  PHE  10           HB2      PHE  10   0.450  -5.243   5.837
   56    HB3  PHE  10           HB3      PHE  10   0.004  -6.914   5.510
   57    HD1  PHE  10           HD1      PHE  10   0.612  -7.936   3.321
   58    HD2  PHE  10           HD2      PHE  10   2.070  -4.129   4.540
   59    HE1  PHE  10           HE1      PHE  10   2.397  -8.085   1.634
   60    HE2  PHE  10           HE2      PHE  10   3.858  -4.270   2.856
   61    HZ   PHE  10           HZ       PHE  10   4.023  -6.250   1.400
   62    H    ALA  11           H        ALA  11  -3.307  -4.031   4.454
   63    HA   ALA  11           HA       ALA  11  -3.838  -4.402   7.317
   64    HB1  ALA  11           HB1      ALA  11  -5.493  -2.387   6.655
   65    HB2  ALA  11           HB2      ALA  11  -4.212  -2.139   5.469
   66    HB3  ALA  11           HB3      ALA  11  -3.830  -2.148   7.191
   67    H    GLY  12           H        GLY  12  -4.554  -6.210   5.049
   68    HA2  GLY  12           HA2      GLY  12  -6.402  -7.750   5.256
   69    HA3  GLY  12           HA3      GLY  12  -7.420  -6.397   5.721
   70    H    CYS  13           H        CYS  13  -5.821  -5.027   3.338
   71    HA   CYS  13           HA       CYS  13  -7.753  -5.919   1.309
   72    HB2  CYS  13           HB2      CYS  13  -6.178  -3.348   1.241
   73    HB3  CYS  13           HB3      CYS  13  -7.615  -3.761   0.317
   74    H    GLY  14           H        GLY  14  -4.366  -5.206   1.918
   75    HA2  GLY  14           HA2      GLY  14  -2.522  -6.219   0.938
   76    HA3  GLY  14           HA3      GLY  14  -3.595  -7.014  -0.201
   77    H    TYR  15           H        TYR  15  -3.680  -3.545   0.296
   78    HA   TYR  15           HA       TYR  15  -2.022  -3.074  -2.034
   79    HB2  TYR  15           HB2      TYR  15  -4.978  -2.858  -2.060
   80    HB3  TYR  15           HB3      TYR  15  -4.085  -1.568  -2.858
   81    HD1  TYR  15           HD1      TYR  15  -5.922  -4.101  -3.787
   82    HD2  TYR  15           HD2      TYR  15  -1.807  -3.039  -4.008
   83    HE1  TYR  15           HE1      TYR  15  -5.668  -5.522  -5.777
   84    HE2  TYR  15           HE2      TYR  15  -1.543  -4.457  -5.999
   85    HH   TYR  15           HH       TYR  15  -3.533  -6.792  -6.872
   86    H    ALA  16           H        ALA  16  -0.898  -1.296  -1.833
   87    HA   ALA  16           HA       ALA  16  -1.891   0.937  -0.204
   88    HB1  ALA  16           HB1      ALA  16   0.847  -0.299  -0.001
   89    HB2  ALA  16           HB2      ALA  16  -0.401  -0.281   1.242
   90    HB3  ALA  16           HB3      ALA  16   0.370   1.224   0.748
   91    H    VAL  17           H        VAL  17  -1.241   2.962  -0.854
   92    HA   VAL  17           HA       VAL  17  -0.213   3.115  -3.575
   93    HB   VAL  17           HB       VAL  17  -1.106   5.405  -1.816
   94   HG11  VAL  17          HG11      VAL  17  -1.606   5.800  -4.586
   95   HG12  VAL  17          HG12      VAL  17   0.066   5.273  -4.396
   96   HG13  VAL  17          HG13      VAL  17  -0.516   6.691  -3.524
   97   HG21  VAL  17          HG21      VAL  17  -3.297   5.195  -2.578
   98   HG22  VAL  17          HG22      VAL  17  -2.825   3.532  -2.226
   99   HG23  VAL  17          HG23      VAL  17  -2.837   4.112  -3.891
  100    H    VAL  18           H        VAL  18   1.118   2.883  -0.617
  101    HA   VAL  18           HA       VAL  18   3.576   4.182  -1.486
  102    HB   VAL  18           HB       VAL  18   2.521   4.806   1.265
  103   HG11  VAL  18          HG11      VAL  18   4.800   5.144   1.305
  104   HG12  VAL  18          HG12      VAL  18   4.214   6.742   0.843
  105   HG13  VAL  18          HG13      VAL  18   4.862   5.652  -0.383
  106   HG21  VAL  18          HG21      VAL  18   0.986   5.769  -0.388
  107   HG22  VAL  18          HG22      VAL  18   2.346   6.557  -1.187
  108   HG23  VAL  18          HG23      VAL  18   1.900   7.019   0.456
  109    H    CYS  19           H        CYS  19   5.434   3.539  -0.223
  110    HA   CYS  19           HA       CYS  19   5.005   1.150   1.429
  111    HB2  CYS  19           HB2      CYS  19   6.426   1.345  -1.118
  112    HB3  CYS  19           HB3      CYS  19   7.407   0.640   0.162
  113    H    PHE  20           H        PHE  20   7.257   3.685   0.441
  114    HA   PHE  20           HA       PHE  20   8.470   3.549   3.122
  115    HB2  PHE  20           HB2      PHE  20  10.421   4.769   1.781
  116    HB3  PHE  20           HB3      PHE  20  10.304   3.015   1.857
  117    HD1  PHE  20           HD1      PHE  20   9.329   1.769  -0.067
  118    HD2  PHE  20           HD2      PHE  20  10.217   5.926  -0.263
  119    HE1  PHE  20           HE1      PHE  20   9.253   1.665  -2.524
  120    HE2  PHE  20           HE2      PHE  20  10.142   5.830  -2.721
  121    HZ   PHE  20           HZ       PHE  20   9.659   3.697  -3.854
  122    H    DTR  21           H        DTR  21   7.047   5.040   4.001
  123    HA   DTR  21           HA       DTR  21   5.943   7.314   3.283
  124    HB2  DTR  21           HB2      DTR  21   7.843   8.287   2.223
  125    HB3  DTR  21           HB3      DTR  21   7.638   9.150   3.742
  126    HD1  DTR  21           HD1      DTR  21   9.079   6.497   5.312
  127    HE1  DTR  21           HE1      DTR  21  11.653   6.492   5.321
  128    HZ2  DTR  21           HZ2      DTR  21  13.757   7.708   3.885
  129    HH2  DTR  21           HH2      DTR  21  14.116   9.279   2.030
  130    HZ3  DTR  21           HZ3      DTR  21  12.233  10.281   0.842
  131    HE3  DTR  21           HE3      DTR  21   9.911   9.755   1.461
  Start of MODEL   12
    1    H1   CYS   1           H1       CYS   1  -3.837   0.258   2.992
    2    HA   CYS   1           HA       CYS   1  -5.348  -1.948   2.070
    3    HB2  CYS   1           HB2      CYS   1  -5.771  -0.895   4.721
    4    HB3  CYS   1           HB3      CYS   1  -7.173  -0.562   3.712
    5    H    LEU   2           H        LEU   2  -5.368  -0.934   0.077
    6    HA   LEU   2           HA       LEU   2  -7.167   1.333  -0.148
    7    HB2  LEU   2           HB2      LEU   2  -4.322   1.418  -1.133
    8    HB3  LEU   2           HB3      LEU   2  -5.569   2.534  -1.660
    9    HG   LEU   2           HG       LEU   2  -4.815   2.231   1.238
   10   HD11  LEU   2          HD11      LEU   2  -3.032   3.563   1.032
   11   HD12  LEU   2          HD12      LEU   2  -3.819   4.591  -0.167
   12   HD13  LEU   2          HD13      LEU   2  -3.056   3.081  -0.665
   13   HD21  LEU   2          HD21      LEU   2  -6.745   3.413   1.307
   14   HD22  LEU   2          HD22      LEU   2  -6.585   3.983  -0.355
   15   HD23  LEU   2          HD23      LEU   2  -5.660   4.753   0.934
   16    H    GLY   3           H        GLY   3  -7.504   1.890  -2.540
   17    HA2  GLY   3           HA2      GLY   3  -7.992  -0.634  -3.914
   18    HA3  GLY   3           HA3      GLY   3  -8.651   0.935  -4.352
   19    H    VAL   4           H        VAL   4  -5.316   1.027  -3.736
   20    HA   VAL   4           HA       VAL   4  -4.795   1.288  -6.604
   21    HB   VAL   4           HB       VAL   4  -2.755   1.868  -4.483
   22   HG11  VAL   4          HG11      VAL   4  -1.642   2.377  -6.352
   23   HG12  VAL   4          HG12      VAL   4  -2.665   3.811  -6.432
   24   HG13  VAL   4          HG13      VAL   4  -3.108   2.362  -7.331
   25   HG21  VAL   4          HG21      VAL   4  -5.283   3.308  -4.956
   26   HG22  VAL   4          HG22      VAL   4  -3.835   4.311  -4.887
   27   HG23  VAL   4          HG23      VAL   4  -4.250   3.266  -3.528
   28    H    GLY   5           H        GLY   5  -2.622   0.462  -7.384
   29    HA2  GLY   5           HA2      GLY   5  -1.975  -2.111  -6.092
   30    HA3  GLY   5           HA3      GLY   5  -2.230  -2.001  -7.825
   31    H    SER   6           H        SER   6  -0.502   0.369  -5.856
   32    HA   SER   6           HA       SER   6   1.865  -0.077  -7.513
   33    HB2  SER   6           HB2      SER   6   2.518   2.020  -5.885
   34    HB3  SER   6           HB3      SER   6   1.737   2.186  -7.457
   35    HG   SER   6           HG       SER   6   0.240   3.140  -6.329
   36    H    CYS   7           H        CYS   7   0.733  -0.331  -4.235
   37    HA   CYS   7           HA       CYS   7   3.035  -1.951  -3.525
   38    HB2  CYS   7           HB2      CYS   7   3.098   0.716  -2.851
   39    HB3  CYS   7           HB3      CYS   7   2.382  -0.007  -1.415
   40    H    VAL   8           H        VAL   8   2.420  -2.009  -0.724
   41    HA   VAL   8           HA       VAL   8  -0.385  -2.808  -0.609
   42    HB   VAL   8           HB       VAL   8   1.778  -4.662   0.324
   43   HG11  VAL   8          HG11      VAL   8  -1.085  -4.556   0.686
   44   HG12  VAL   8          HG12      VAL   8   0.123  -5.526   1.522
   45   HG13  VAL   8          HG13      VAL   8  -0.558  -6.089  -0.004
   46   HG21  VAL   8          HG21      VAL   8   1.025  -6.123  -1.577
   47   HG22  VAL   8          HG22      VAL   8   1.916  -4.676  -2.051
   48   HG23  VAL   8          HG23      VAL   8   0.160  -4.722  -2.209
   49    H    ASP   9           H        ASP   9  -1.239  -2.892   1.421
   50    HA   ASP   9           HA       ASP   9   0.393  -1.640   3.529
   51    HB2  ASP   9           HB2      ASP   9  -1.772  -0.869   4.516
   52    HB3  ASP   9           HB3      ASP   9  -1.423  -0.177   2.939
   53    H    PHE  10           H        PHE  10  -1.266  -4.451   2.624
   54    HA   PHE  10           HA       PHE  10  -1.817  -6.385   3.667
   55    HB2  PHE  10           HB2      PHE  10   0.773  -5.622   4.496
   56    HB3  PHE  10           HB3      PHE  10  -0.039  -6.255   5.925
   57    HD1  PHE  10           HD1      PHE  10   0.930  -8.336   6.263
   58    HD2  PHE  10           HD2      PHE  10  -0.423  -7.267   2.372
   59    HE1  PHE  10           HE1      PHE  10   1.358 -10.632   5.487
   60    HE2  PHE  10           HE2      PHE  10   0.002  -9.560   1.589
   61    HZ   PHE  10           HZ       PHE  10   0.893 -11.246   3.148
   62    H    ALA  11           H        ALA  11  -3.292  -4.035   4.476
   63    HA   ALA  11           HA       ALA  11  -3.819  -4.565   7.303
   64    HB1  ALA  11           HB1      ALA  11  -5.459  -2.512   6.757
   65    HB2  ALA  11           HB2      ALA  11  -4.230  -2.250   5.519
   66    HB3  ALA  11           HB3      ALA  11  -3.770  -2.303   7.221
   67    H    GLY  12           H        GLY  12  -4.600  -6.294   4.992
   68    HA2  GLY  12           HA2      GLY  12  -6.476  -7.819   5.237
   69    HA3  GLY  12           HA3      GLY  12  -7.471  -6.441   5.679
   70    H    CYS  13           H        CYS  13  -5.828  -5.116   3.318
   71    HA   CYS  13           HA       CYS  13  -7.696  -6.039   1.240
   72    HB2  CYS  13           HB2      CYS  13  -6.266  -3.391   1.190
   73    HB3  CYS  13           HB3      CYS  13  -7.723  -3.866   0.327
   74    H    GLY  14           H        GLY  14  -4.371  -5.312   2.026
   75    HA2  GLY  14           HA2      GLY  14  -2.439  -6.093   1.045
   76    HA3  GLY  14           HA3      GLY  14  -3.429  -6.992  -0.093
   77    H    TYR  15           H        TYR  15  -3.601  -3.504   0.426
   78    HA   TYR  15           HA       TYR  15  -2.089  -3.002  -1.996
   79    HB2  TYR  15           HB2      TYR  15  -5.050  -2.635  -1.795
   80    HB3  TYR  15           HB3      TYR  15  -4.107  -1.546  -2.806
   81    HD1  TYR  15           HD1      TYR  15  -6.250  -3.978  -3.259
   82    HD2  TYR  15           HD2      TYR  15  -2.100  -3.351  -3.959
   83    HE1  TYR  15           HE1      TYR  15  -6.313  -5.635  -5.075
   84    HE2  TYR  15           HE2      TYR  15  -2.151  -5.005  -5.778
   85    HH   TYR  15           HH       TYR  15  -3.686  -6.066  -7.265
   86    H    ALA  16           H        ALA  16  -0.912  -1.269  -1.763
   87    HA   ALA  16           HA       ALA  16  -1.874   1.046  -0.257
   88    HB1  ALA  16           HB1      ALA  16   0.828  -0.182   0.247
   89    HB2  ALA  16           HB2      ALA  16  -0.560  -0.329   1.320
   90    HB3  ALA  16           HB3      ALA  16   0.154   1.253   1.019
   91    H    VAL  17           H        VAL  17  -1.134   2.983  -1.004
   92    HA   VAL  17           HA       VAL  17   0.252   2.901  -3.564
   93    HB   VAL  17           HB       VAL  17  -0.433   5.550  -2.476
   94   HG11  VAL  17          HG11      VAL  17   0.163   4.515  -4.921
   95   HG12  VAL  17          HG12      VAL  17  -0.627   6.068  -4.649
   96   HG13  VAL  17          HG13      VAL  17  -1.594   4.638  -5.007
   97   HG21  VAL  17          HG21      VAL  17  -2.398   4.807  -1.603
   98   HG22  VAL  17          HG22      VAL  17  -2.479   3.407  -2.671
   99   HG23  VAL  17          HG23      VAL  17  -2.904   5.007  -3.279
  100    H    VAL  18           H        VAL  18   1.174   2.960  -0.432
  101    HA   VAL  18           HA       VAL  18   3.659   4.394  -1.094
  102    HB   VAL  18           HB       VAL  18   2.320   4.598   1.600
  103   HG11  VAL  18          HG11      VAL  18   4.828   5.653   0.396
  104   HG12  VAL  18          HG12      VAL  18   4.531   5.020   2.015
  105   HG13  VAL  18          HG13      VAL  18   3.979   6.639   1.586
  106   HG21  VAL  18          HG21      VAL  18   2.242   6.466  -0.754
  107   HG22  VAL  18          HG22      VAL  18   1.919   6.999   0.896
  108   HG23  VAL  18          HG23      VAL  18   0.888   5.782   0.144
  109    H    CYS  19           H        CYS  19   5.484   3.798   0.297
  110    HA   CYS  19           HA       CYS  19   5.220   1.298   1.762
  111    HB2  CYS  19           HB2      CYS  19   7.510   1.273  -0.093
  112    HB3  CYS  19           HB3      CYS  19   6.437  -0.034   0.389
  113    H    PHE  20           H        PHE  20   7.427   3.800   0.583
  114    HA   PHE  20           HA       PHE  20   9.000   3.522   3.050
  115    HB2  PHE  20           HB2      PHE  20  10.089   5.328   1.020
  116    HB3  PHE  20           HB3      PHE  20  10.860   3.995   1.870
  117    HD1  PHE  20           HD1      PHE  20   9.023   5.002  -1.115
  118    HD2  PHE  20           HD2      PHE  20  10.844   1.754   0.946
  119    HE1  PHE  20           HE1      PHE  20   8.943   3.657  -3.173
  120    HE2  PHE  20           HE2      PHE  20  10.768   0.403  -1.108
  121    HZ   PHE  20           HZ       PHE  20   9.818   1.354  -3.172
  122    H    DTR  21           H        DTR  21   6.475   5.262   1.987
  123    HA   DTR  21           HA       DTR  21   5.705   7.420   2.222
  124    HB2  DTR  21           HB2      DTR  21   7.060   9.236   2.954
  125    HB3  DTR  21           HB3      DTR  21   8.229   8.158   3.706
  126    HD1  DTR  21           HD1      DTR  21   7.035   7.345   0.188
  127    HE1  DTR  21           HE1      DTR  21   8.971   7.727  -1.464
  128    HZ2  DTR  21           HZ2      DTR  21  11.567   8.838  -1.433
  129    HH2  DTR  21           HH2      DTR  21  13.138   9.917   0.117
  130    HZ3  DTR  21           HZ3      DTR  21  12.551  10.290   2.457
  131    HE3  DTR  21           HE3      DTR  21  10.364   9.597   3.346
  Start of MODEL   13
    1    H1   CYS   1           H1       CYS   1  -3.932   0.421   2.666
    2    HA   CYS   1           HA       CYS   1  -5.348  -1.791   1.712
    3    HB2  CYS   1           HB2      CYS   1  -6.104  -0.542   4.288
    4    HB3  CYS   1           HB3      CYS   1  -7.410  -0.738   3.124
    5    H    LEU   2           H        LEU   2  -5.436  -0.806  -0.265
    6    HA   LEU   2           HA       LEU   2  -7.171   1.512  -0.487
    7    HB2  LEU   2           HB2      LEU   2  -4.382   1.526  -1.636
    8    HB3  LEU   2           HB3      LEU   2  -5.606   2.750  -1.914
    9    HG   LEU   2           HG       LEU   2  -4.402   2.108   0.779
   10   HD11  LEU   2          HD11      LEU   2  -2.775   3.584   0.402
   11   HD12  LEU   2          HD12      LEU   2  -3.876   4.733  -0.357
   12   HD13  LEU   2          HD13      LEU   2  -3.179   3.421  -1.306
   13   HD21  LEU   2          HD21      LEU   2  -5.859   3.531   1.703
   14   HD22  LEU   2          HD22      LEU   2  -6.811   3.292   0.239
   15   HD23  LEU   2          HD23      LEU   2  -5.729   4.677   0.369
   16    H    GLY   3           H        GLY   3  -7.553   2.061  -2.863
   17    HA2  GLY   3           HA2      GLY   3  -8.143  -0.440  -4.222
   18    HA3  GLY   3           HA3      GLY   3  -8.714   1.157  -4.679
   19    H    VAL   4           H        VAL   4  -5.417   1.262  -4.104
   20    HA   VAL   4           HA       VAL   4  -4.885   1.236  -6.986
   21    HB   VAL   4           HB       VAL   4  -3.066   2.254  -4.805
   22   HG11  VAL   4          HG11      VAL   4  -2.316   3.675  -6.850
   23   HG12  VAL   4          HG12      VAL   4  -3.081   2.393  -7.789
   24   HG13  VAL   4          HG13      VAL   4  -1.756   2.010  -6.691
   25   HG21  VAL   4          HG21      VAL   4  -5.450   3.467  -6.048
   26   HG22  VAL   4          HG22      VAL   4  -4.024   4.499  -5.944
   27   HG23  VAL   4          HG23      VAL   4  -4.700   3.781  -4.483
   28    H    GLY   5           H        GLY   5  -2.790   0.344  -7.723
   29    HA2  GLY   5           HA2      GLY   5  -1.989  -1.983  -6.088
   30    HA3  GLY   5           HA3      GLY   5  -2.201  -2.082  -7.828
   31    H    SER   6           H        SER   6  -0.495   0.184  -5.653
   32    HA   SER   6           HA       SER   6   1.858  -0.077  -7.401
   33    HB2  SER   6           HB2      SER   6   2.449   2.028  -5.774
   34    HB3  SER   6           HB3      SER   6   1.644   2.185  -7.335
   35    HG   SER   6           HG       SER   6   0.204   3.148  -6.107
   36    H    CYS   7           H        CYS   7   0.722  -0.303  -4.108
   37    HA   CYS   7           HA       CYS   7   3.018  -1.929  -3.392
   38    HB2  CYS   7           HB2      CYS   7   2.900   0.812  -2.667
   39    HB3  CYS   7           HB3      CYS   7   2.566  -0.112  -1.207
   40    H    VAL   8           H        VAL   8   2.465  -1.987  -0.599
   41    HA   VAL   8           HA       VAL   8  -0.348  -2.812  -0.475
   42    HB   VAL   8           HB       VAL   8   1.806  -4.512   0.717
   43   HG11  VAL   8          HG11      VAL   8  -1.024  -4.473   0.887
   44   HG12  VAL   8          HG12      VAL   8   0.115  -5.564   1.670
   45   HG13  VAL   8          HG13      VAL   8  -0.531  -5.958   0.077
   46   HG21  VAL   8          HG21      VAL   8   0.966  -6.049  -1.305
   47   HG22  VAL   8          HG22      VAL   8   2.363  -4.980  -1.432
   48   HG23  VAL   8          HG23      VAL   8   0.798  -4.464  -2.059
   49    H    ASP   9           H        ASP   9  -1.276  -2.739   1.523
   50    HA   ASP   9           HA       ASP   9   0.265  -1.297   3.573
   51    HB2  ASP   9           HB2      ASP   9  -2.002  -0.660   4.507
   52    HB3  ASP   9           HB3      ASP   9  -1.582   0.058   2.961
   53    H    PHE  10           H        PHE  10  -1.074  -4.290   2.854
   54    HA   PHE  10           HA       PHE  10  -1.491  -6.184   4.038
   55    HB2  PHE  10           HB2      PHE  10   0.979  -5.374   4.668
   56    HB3  PHE  10           HB3      PHE  10   0.255  -5.287   6.271
   57    HD1  PHE  10           HD1      PHE  10   0.344  -7.632   3.367
   58    HD2  PHE  10           HD2      PHE  10   0.448  -7.144   7.593
   59    HE1  PHE  10           HE1      PHE  10   0.660 -10.058   3.635
   60    HE2  PHE  10           HE2      PHE  10   0.766  -9.568   7.869
   61    HZ   PHE  10           HZ       PHE  10   0.873 -11.028   5.889
   62    H    ALA  11           H        ALA  11  -3.256  -3.939   4.571
   63    HA   ALA  11           HA       ALA  11  -3.873  -4.288   7.407
   64    HB1  ALA  11           HB1      ALA  11  -4.471  -2.205   5.399
   65    HB2  ALA  11           HB2      ALA  11  -4.063  -2.051   7.108
   66    HB3  ALA  11           HB3      ALA  11  -5.701  -2.496   6.629
   67    H    GLY  12           H        GLY  12  -4.335  -6.323   5.287
   68    HA2  GLY  12           HA2      GLY  12  -6.018  -8.026   5.546
   69    HA3  GLY  12           HA3      GLY  12  -7.185  -6.764   5.907
   70    H    CYS  13           H        CYS  13  -5.867  -5.256   3.548
   71    HA   CYS  13           HA       CYS  13  -7.565  -6.495   1.505
   72    HB2  CYS  13           HB2      CYS  13  -6.271  -3.807   1.179
   73    HB3  CYS  13           HB3      CYS  13  -7.782  -4.401   0.501
   74    H    GLY  14           H        GLY  14  -4.336  -5.136   1.995
   75    HA2  GLY  14           HA2      GLY  14  -2.349  -6.075   1.172
   76    HA3  GLY  14           HA3      GLY  14  -3.290  -7.019   0.030
   77    H    TYR  15           H        TYR  15  -3.592  -3.530   0.506
   78    HA   TYR  15           HA       TYR  15  -2.060  -3.013  -1.902
   79    HB2  TYR  15           HB2      TYR  15  -4.958  -2.189  -1.778
   80    HB3  TYR  15           HB3      TYR  15  -3.845  -1.967  -3.123
   81    HD1  TYR  15           HD1      TYR  15  -6.023  -4.310  -1.378
   82    HD2  TYR  15           HD2      TYR  15  -3.182  -3.877  -4.515
   83    HE1  TYR  15           HE1      TYR  15  -6.736  -6.469  -2.314
   84    HE2  TYR  15           HE2      TYR  15  -3.889  -6.034  -5.461
   85    HH   TYR  15           HH       TYR  15  -6.690  -7.557  -4.676
   86    H    ALA  16           H        ALA  16  -0.960  -1.229  -1.714
   87    HA   ALA  16           HA       ALA  16  -2.007   1.083  -0.274
   88    HB1  ALA  16           HB1      ALA  16   0.716  -0.045   0.338
   89    HB2  ALA  16           HB2      ALA  16  -0.700  -0.234   1.367
   90    HB3  ALA  16           HB3      ALA  16  -0.041   1.370   1.069
   91    H    VAL  17           H        VAL  17  -1.262   3.025  -1.026
   92    HA   VAL  17           HA       VAL  17   0.174   2.919  -3.556
   93    HB   VAL  17           HB       VAL  17  -1.040   5.314  -2.164
   94   HG11  VAL  17          HG11      VAL  17   0.307   4.900  -4.786
   95   HG12  VAL  17          HG12      VAL  17   0.396   6.266  -3.674
   96   HG13  VAL  17          HG13      VAL  17  -1.027   6.049  -4.693
   97   HG21  VAL  17          HG21      VAL  17  -3.045   4.856  -3.069
   98   HG22  VAL  17          HG22      VAL  17  -2.439   3.201  -3.140
   99   HG23  VAL  17          HG23      VAL  17  -2.340   4.237  -4.563
  100    H    VAL  18           H        VAL  18   1.072   2.941  -0.445
  101    HA   VAL  18           HA       VAL  18   3.418   4.658  -0.958
  102    HB   VAL  18           HB       VAL  18   2.335   5.740   0.792
  103   HG11  VAL  18          HG11      VAL  18   0.629   4.055   1.225
  104   HG12  VAL  18          HG12      VAL  18   1.337   4.640   2.731
  105   HG13  VAL  18          HG13      VAL  18   1.812   3.069   2.085
  106   HG21  VAL  18          HG21      VAL  18   4.679   5.354   1.335
  107   HG22  VAL  18          HG22      VAL  18   4.248   3.858   2.163
  108   HG23  VAL  18          HG23      VAL  18   3.689   5.407   2.792
  109    H    CYS  19           H        CYS  19   5.395   3.987   0.110
  110    HA   CYS  19           HA       CYS  19   5.547   1.149   0.797
  111    HB2  CYS  19           HB2      CYS  19   7.481   2.359  -1.171
  112    HB3  CYS  19           HB3      CYS  19   7.291   0.662  -0.744
  113    H    PHE  20           H        PHE  20   7.559   4.034   0.308
  114    HA   PHE  20           HA       PHE  20   9.115   3.301   2.677
  115    HB2  PHE  20           HB2      PHE  20  10.849   4.663   1.866
  116    HB3  PHE  20           HB3      PHE  20  10.186   3.911   0.420
  117    HD1  PHE  20           HD1      PHE  20   8.509   5.259  -0.953
  118    HD2  PHE  20           HD2      PHE  20  11.001   6.975   2.040
  119    HE1  PHE  20           HE1      PHE  20   8.169   7.484  -1.949
  120    HE2  PHE  20           HE2      PHE  20  10.664   9.202   1.050
  121    HZ   PHE  20           HZ       PHE  20   9.247   9.458  -0.947
  122    H    DTR  21           H        DTR  21   6.361   4.820   2.299
  123    HA   DTR  21           HA       DTR  21   5.318   6.706   3.114
  124    HB2  DTR  21           HB2      DTR  21   7.584   7.704   4.729
  125    HB3  DTR  21           HB3      DTR  21   7.837   7.701   2.986
  126    HD1  DTR  21           HD1      DTR  21   6.337   9.358   1.520
  127    HE1  DTR  21           HE1      DTR  21   4.965  11.443   2.145
  128    HZ2  DTR  21           HZ2      DTR  21   3.931  12.651   4.477
  129    HH2  DTR  21           HH2      DTR  21   3.854  12.303   6.907
  130    HZ3  DTR  21           HZ3      DTR  21   4.929  10.371   7.942
  131    HE3  DTR  21           HE3      DTR  21   6.129   8.704   6.587
  Start of MODEL   14
    1    H1   CYS   1           H1       CYS   1  -4.079   0.192   2.607
    2    HA   CYS   1           HA       CYS   1  -5.238  -2.043   1.376
    3    HB2  CYS   1           HB2      CYS   1  -6.128  -2.697   3.445
    4    HB3  CYS   1           HB3      CYS   1  -6.359  -1.037   3.978
    5    H    LEU   2           H        LEU   2  -5.392  -0.864  -0.470
    6    HA   LEU   2           HA       LEU   2  -7.388   1.243  -0.529
    7    HB2  LEU   2           HB2      LEU   2  -4.593   1.703  -1.566
    8    HB3  LEU   2           HB3      LEU   2  -5.945   2.808  -1.731
    9    HG   LEU   2           HG       LEU   2  -4.762   1.974   0.917
   10   HD11  LEU   2          HD11      LEU   2  -4.400   4.633  -0.423
   11   HD12  LEU   2          HD12      LEU   2  -3.251   3.311  -0.633
   12   HD13  LEU   2          HD13      LEU   2  -3.548   3.975   0.974
   13   HD21  LEU   2          HD21      LEU   2  -6.310   3.258   1.926
   14   HD22  LEU   2          HD22      LEU   2  -7.233   2.963   0.452
   15   HD23  LEU   2          HD23      LEU   2  -6.313   4.457   0.632
   16    H    GLY   3           H        GLY   3  -7.723   1.995  -2.873
   17    HA2  GLY   3           HA2      GLY   3  -8.181  -0.361  -4.447
   18    HA3  GLY   3           HA3      GLY   3  -8.589   1.288  -4.894
   19    H    VAL   4           H        VAL   4  -5.436   1.456  -4.060
   20    HA   VAL   4           HA       VAL   4  -4.601   1.364  -6.849
   21    HB   VAL   4           HB       VAL   4  -2.882   2.179  -4.514
   22   HG11  VAL   4          HG11      VAL   4  -2.780   2.491  -7.473
   23   HG12  VAL   4          HG12      VAL   4  -1.493   2.097  -6.334
   24   HG13  VAL   4          HG13      VAL   4  -2.081   3.755  -6.461
   25   HG21  VAL   4          HG21      VAL   4  -3.707   4.545  -5.441
   26   HG22  VAL   4          HG22      VAL   4  -4.521   3.702  -4.123
   27   HG23  VAL   4          HG23      VAL   4  -5.160   3.599  -5.764
   28    H    GLY   5           H        GLY   5  -2.394   0.435  -7.340
   29    HA2  GLY   5           HA2      GLY   5  -1.836  -1.937  -5.688
   30    HA3  GLY   5           HA3      GLY   5  -2.060  -2.101  -7.420
   31    H    SER   6           H        SER   6  -0.299   0.454  -5.681
   32    HA   SER   6           HA       SER   6   2.047  -0.150  -7.315
   33    HB2  SER   6           HB2      SER   6   1.998   2.073  -5.309
   34    HB3  SER   6           HB3      SER   6   2.771   2.011  -6.893
   35    HG   SER   6           HG       SER   6   0.637   3.254  -6.454
   36    H    CYS   7           H        CYS   7   0.937  -0.182  -4.023
   37    HA   CYS   7           HA       CYS   7   3.132  -1.905  -3.222
   38    HB2  CYS   7           HB2      CYS   7   3.807   0.526  -2.785
   39    HB3  CYS   7           HB3      CYS   7   2.502   0.575  -1.609
   40    H    VAL   8           H        VAL   8   2.623  -2.422  -0.681
   41    HA   VAL   8           HA       VAL   8  -0.292  -2.837  -0.541
   42    HB   VAL   8           HB       VAL   8   1.729  -4.641   0.739
   43   HG11  VAL   8          HG11      VAL   8  -0.041  -5.607   1.639
   44   HG12  VAL   8          HG12      VAL   8  -0.669  -5.956   0.029
   45   HG13  VAL   8          HG13      VAL   8  -1.095  -4.448   0.833
   46   HG21  VAL   8          HG21      VAL   8   0.660  -4.685  -2.048
   47   HG22  VAL   8          HG22      VAL   8   1.051  -6.196  -1.227
   48   HG23  VAL   8          HG23      VAL   8   2.303  -4.979  -1.475
   49    H    ASP   9           H        ASP   9  -1.270  -2.774   1.478
   50    HA   ASP   9           HA       ASP   9   0.214  -1.232   3.486
   51    HB2  ASP   9           HB2      ASP   9  -2.135  -0.789   4.420
   52    HB3  ASP   9           HB3      ASP   9  -1.709  -0.004   2.906
   53    H    PHE  10           H        PHE  10  -1.210  -4.283   2.883
   54    HA   PHE  10           HA       PHE  10  -1.418  -6.175   4.117
   55    HB2  PHE  10           HB2      PHE  10   0.585  -4.698   5.824
   56    HB3  PHE  10           HB3      PHE  10   0.081  -6.353   6.148
   57    HD1  PHE  10           HD1      PHE  10  -0.033  -7.558   3.524
   58    HD2  PHE  10           HD2      PHE  10   2.771  -4.773   5.103
   59    HE1  PHE  10           HE1      PHE  10   1.668  -8.385   1.950
   60    HE2  PHE  10           HE2      PHE  10   4.477  -5.595   3.532
   61    HZ   PHE  10           HZ       PHE  10   3.927  -7.403   1.953
   62    H    ALA  11           H        ALA  11  -3.262  -3.965   4.543
   63    HA   ALA  11           HA       ALA  11  -3.944  -4.253   7.373
   64    HB1  ALA  11           HB1      ALA  11  -5.397  -2.375   7.102
   65    HB2  ALA  11           HB2      ALA  11  -5.242  -2.441   5.347
   66    HB3  ALA  11           HB3      ALA  11  -3.858  -1.980   6.338
   67    H    GLY  12           H        GLY  12  -4.286  -6.376   5.349
   68    HA2  GLY  12           HA2      GLY  12  -5.938  -8.100   5.566
   69    HA3  GLY  12           HA3      GLY  12  -7.146  -6.857   5.855
   70    H    CYS  13           H        CYS  13  -6.276  -5.178   3.653
   71    HA   CYS  13           HA       CYS  13  -7.694  -6.560   1.538
   72    HB2  CYS  13           HB2      CYS  13  -6.501  -3.789   1.421
   73    HB3  CYS  13           HB3      CYS  13  -7.805  -4.445   0.436
   74    H    GLY  14           H        GLY  14  -4.516  -5.037   1.991
   75    HA2  GLY  14           HA2      GLY  14  -2.498  -5.963   1.201
   76    HA3  GLY  14           HA3      GLY  14  -3.411  -6.929   0.058
   77    H    TYR  15           H        TYR  15  -3.691  -3.426   0.541
   78    HA   TYR  15           HA       TYR  15  -2.189  -2.928  -1.890
   79    HB2  TYR  15           HB2      TYR  15  -5.145  -2.367  -1.680
   80    HB3  TYR  15           HB3      TYR  15  -4.104  -1.606  -2.876
   81    HD1  TYR  15           HD1      TYR  15  -2.572  -3.412  -4.189
   82    HD2  TYR  15           HD2      TYR  15  -6.343  -4.198  -2.383
   83    HE1  TYR  15           HE1      TYR  15  -2.879  -5.340  -5.683
   84    HE2  TYR  15           HE2      TYR  15  -6.660  -6.129  -3.871
   85    HH   TYR  15           HH       TYR  15  -5.719  -6.775  -6.275
   86    H    ALA  16           H        ALA  16  -1.043  -1.165  -1.683
   87    HA   ALA  16           HA       ALA  16  -2.020   1.103  -0.104
   88    HB1  ALA  16           HB1      ALA  16  -0.606  -0.195   1.400
   89    HB2  ALA  16           HB2      ALA  16   0.138   1.351   1.002
   90    HB3  ALA  16           HB3      ALA  16   0.709  -0.128   0.230
   91    H    VAL  17           H        VAL  17  -1.278   3.086  -0.749
   92    HA   VAL  17           HA       VAL  17  -0.137   3.178  -3.431
   93    HB   VAL  17           HB       VAL  17  -1.038   5.480  -1.686
   94   HG11  VAL  17          HG11      VAL  17  -0.340   5.236  -4.601
   95   HG12  VAL  17          HG12      VAL  17   0.356   6.313  -3.390
   96   HG13  VAL  17          HG13      VAL  17  -1.290   6.579  -3.965
   97   HG21  VAL  17          HG21      VAL  17  -3.128   4.792  -2.012
   98   HG22  VAL  17          HG22      VAL  17  -2.598   3.492  -3.077
   99   HG23  VAL  17          HG23      VAL  17  -2.899   5.102  -3.731
  100    H    VAL  18           H        VAL  18   0.855   3.294  -0.218
  101    HA   VAL  18           HA       VAL  18   3.302   4.797  -0.892
  102    HB   VAL  18           HB       VAL  18   2.282   4.126   1.861
  103   HG11  VAL  18          HG11      VAL  18   4.502   4.565   2.179
  104   HG12  VAL  18          HG12      VAL  18   3.844   6.198   2.290
  105   HG13  VAL  18          HG13      VAL  18   4.598   5.651   0.793
  106   HG21  VAL  18          HG21      VAL  18   0.748   5.620   0.557
  107   HG22  VAL  18          HG22      VAL  18   2.070   6.783   0.463
  108   HG23  VAL  18          HG23      VAL  18   1.401   6.334   2.032
  109    H    CYS  19           H        CYS  19   5.317   3.976   0.017
  110    HA   CYS  19           HA       CYS  19   5.331   1.131   0.672
  111    HB2  CYS  19           HB2      CYS  19   5.890   2.058  -1.907
  112    HB3  CYS  19           HB3      CYS  19   7.465   1.734  -1.196
  113    H    PHE  20           H        PHE  20   7.303   4.032   0.191
  114    HA   PHE  20           HA       PHE  20   9.067   3.111   2.358
  115    HB2  PHE  20           HB2      PHE  20  10.603   4.957   1.423
  116    HB3  PHE  20           HB3      PHE  20  10.424   3.476   0.487
  117    HD1  PHE  20           HD1      PHE  20   9.716   3.551  -1.729
  118    HD2  PHE  20           HD2      PHE  20   9.183   6.961   0.761
  119    HE1  PHE  20           HE1      PHE  20   9.032   4.870  -3.689
  120    HE2  PHE  20           HE2      PHE  20   8.497   8.287  -1.195
  121    HZ   PHE  20           HZ       PHE  20   8.420   7.241  -3.424
  122    H    DTR  21           H        DTR  21   6.426   4.921   2.079
  123    HA   DTR  21           HA       DTR  21   5.629   6.897   2.966
  124    HB2  DTR  21           HB2      DTR  21   8.057   7.540   4.542
  125    HB3  DTR  21           HB3      DTR  21   8.222   7.616   2.790
  126    HD1  DTR  21           HD1      DTR  21   5.372   8.830   2.077
  127    HE1  DTR  21           HE1      DTR  21   4.853  11.279   2.672
  128    HZ2  DTR  21           HZ2      DTR  21   5.799  13.249   4.456
  129    HH2  DTR  21           HH2      DTR  21   7.492  13.550   6.210
  130    HZ3  DTR  21           HZ3      DTR  21   8.996  11.732   6.839
  131    HE3  DTR  21           HE3      DTR  21   8.870   9.536   5.738
  Start of MODEL   15
    1    H1   CYS   1           H1       CYS   1  -4.363   0.027   2.688
    2    HA   CYS   1           HA       CYS   1  -5.386  -2.248   1.420
    3    HB2  CYS   1           HB2      CYS   1  -6.351  -2.949   3.427
    4    HB3  CYS   1           HB3      CYS   1  -6.612  -1.305   3.993
    5    H    LEU   2           H        LEU   2  -5.525  -1.095  -0.430
    6    HA   LEU   2           HA       LEU   2  -7.574   0.956  -0.570
    7    HB2  LEU   2           HB2      LEU   2  -4.715   1.453  -1.383
    8    HB3  LEU   2           HB3      LEU   2  -6.059   2.469  -1.867
    9    HG   LEU   2           HG       LEU   2  -5.355   1.971   1.020
   10   HD11  LEU   2          HD11      LEU   2  -4.173   4.062   1.029
   11   HD12  LEU   2          HD12      LEU   2  -4.535   4.321  -0.678
   12   HD13  LEU   2          HD13      LEU   2  -3.461   3.009  -0.193
   13   HD21  LEU   2          HD21      LEU   2  -7.495   2.799   1.024
   14   HD22  LEU   2          HD22      LEU   2  -7.256   3.730  -0.455
   15   HD23  LEU   2          HD23      LEU   2  -6.564   4.297   1.065
   16    H    GLY   3           H        GLY   3  -7.853   1.679  -2.929
   17    HA2  GLY   3           HA2      GLY   3  -7.987  -0.748  -4.530
   18    HA3  GLY   3           HA3      GLY   3  -8.753   0.790  -4.900
   19    H    VAL   4           H        VAL   4  -5.439   0.899  -4.014
   20    HA   VAL   4           HA       VAL   4  -4.747   1.714  -6.718
   21    HB   VAL   4           HB       VAL   4  -4.095   2.898  -4.481
   22   HG11  VAL   4          HG11      VAL   4  -2.815   0.561  -3.957
   23   HG12  VAL   4          HG12      VAL   4  -2.420   2.113  -3.222
   24   HG13  VAL   4          HG13      VAL   4  -1.507   1.542  -4.615
   25   HG21  VAL   4          HG21      VAL   4  -1.681   2.936  -6.060
   26   HG22  VAL   4          HG22      VAL   4  -2.900   4.190  -5.832
   27   HG23  VAL   4          HG23      VAL   4  -3.120   2.963  -7.080
   28    H    GLY   5           H        GLY   5  -1.957   1.052  -6.606
   29    HA2  GLY   5           HA2      GLY   5  -1.672  -1.775  -6.229
   30    HA3  GLY   5           HA3      GLY   5  -1.855  -1.343  -7.922
   31    H    SER   6           H        SER   6  -0.177   0.526  -5.428
   32    HA   SER   6           HA       SER   6   2.281   0.259  -7.019
   33    HB2  SER   6           HB2      SER   6   2.955   2.371  -6.232
   34    HB3  SER   6           HB3      SER   6   1.221   2.559  -6.495
   35    HG   SER   6           HG       SER   6   1.427   3.313  -4.500
   36    H    CYS   7           H        CYS   7   0.923  -0.078  -3.814
   37    HA   CYS   7           HA       CYS   7   3.139  -1.786  -3.036
   38    HB2  CYS   7           HB2      CYS   7   3.139   0.897  -2.251
   39    HB3  CYS   7           HB3      CYS   7   2.530   0.027  -0.848
   40    H    VAL   8           H        VAL   8   2.473  -1.989  -0.312
   41    HA   VAL   8           HA       VAL   8  -0.350  -2.811  -0.355
   42    HB   VAL   8           HB       VAL   8   1.750  -4.503   0.947
   43   HG11  VAL   8          HG11      VAL   8   0.030  -5.657   1.717
   44   HG12  VAL   8          HG12      VAL   8  -0.543  -5.935   0.073
   45   HG13  VAL   8          HG13      VAL   8  -1.069  -4.507   0.960
   46   HG21  VAL   8          HG21      VAL   8   2.455  -4.786  -1.221
   47   HG22  VAL   8          HG22      VAL   8   0.848  -4.499  -1.890
   48   HG23  VAL   8          HG23      VAL   8   1.217  -6.037  -1.109
   49    H    ASP   9           H        ASP   9  -1.389  -2.817   1.604
   50    HA   ASP   9           HA       ASP   9  -0.044  -1.299   3.728
   51    HB2  ASP   9           HB2      ASP   9  -2.429  -0.880   4.533
   52    HB3  ASP   9           HB3      ASP   9  -1.958  -0.096   3.030
   53    H    PHE  10           H        PHE  10  -1.239  -4.372   2.942
   54    HA   PHE  10           HA       PHE  10  -1.549  -6.296   4.105
   55    HB2  PHE  10           HB2      PHE  10   0.804  -5.192   4.972
   56    HB3  PHE  10           HB3      PHE  10  -0.056  -5.449   6.487
   57    HD1  PHE  10           HD1      PHE  10   1.464  -7.060   3.576
   58    HD2  PHE  10           HD2      PHE  10  -0.563  -7.674   7.268
   59    HE1  PHE  10           HE1      PHE  10   2.098  -9.437   3.525
   60    HE2  PHE  10           HE2      PHE  10   0.069 -10.051   7.224
   61    HZ   PHE  10           HZ       PHE  10   1.401 -10.936   5.350
   62    H    ALA  11           H        ALA  11  -3.444  -4.129   4.527
   63    HA   ALA  11           HA       ALA  11  -4.241  -4.524   7.312
   64    HB1  ALA  11           HB1      ALA  11  -4.824  -2.471   5.255
   65    HB2  ALA  11           HB2      ALA  11  -4.473  -2.286   6.974
   66    HB3  ALA  11           HB3      ALA  11  -6.077  -2.803   6.452
   67    H    GLY  12           H        GLY  12  -4.456  -6.574   5.185
   68    HA2  GLY  12           HA2      GLY  12  -6.069  -8.345   5.275
   69    HA3  GLY  12           HA3      GLY  12  -7.316  -7.145   5.584
   70    H    CYS  13           H        CYS  13  -6.265  -5.382   3.452
   71    HA   CYS  13           HA       CYS  13  -7.637  -6.687   1.241
   72    HB2  CYS  13           HB2      CYS  13  -6.542  -3.871   1.365
   73    HB3  CYS  13           HB3      CYS  13  -7.711  -4.507   0.213
   74    H    GLY  14           H        GLY  14  -4.488  -5.311   2.032
   75    HA2  GLY  14           HA2      GLY  14  -2.425  -6.024   1.235
   76    HA3  GLY  14           HA3      GLY  14  -3.249  -7.017   0.047
   77    H    TYR  15           H        TYR  15  -3.668  -3.530   0.569
   78    HA   TYR  15           HA       TYR  15  -2.124  -2.948  -1.818
   79    HB2  TYR  15           HB2      TYR  15  -5.106  -2.561  -1.672
   80    HB3  TYR  15           HB3      TYR  15  -4.097  -1.637  -2.781
   81    HD1  TYR  15           HD1      TYR  15  -3.219  -2.632  -4.769
   82    HD2  TYR  15           HD2      TYR  15  -5.306  -5.014  -1.928
   83    HE1  TYR  15           HE1      TYR  15  -3.332  -4.468  -6.400
   84    HE2  TYR  15           HE2      TYR  15  -5.424  -6.857  -3.550
   85    HH   TYR  15           HH       TYR  15  -3.862  -7.511  -5.710
   86    H    ALA  16           H        ALA  16  -1.014  -1.170  -1.521
   87    HA   ALA  16           HA       ALA  16  -2.123   1.021   0.092
   88    HB1  ALA  16           HB1      ALA  16  -0.645  -0.148   1.585
   89    HB2  ALA  16           HB2      ALA  16   0.104   1.374   1.109
   90    HB3  ALA  16           HB3      ALA  16   0.640  -0.138   0.378
   91    H    VAL  17           H        VAL  17  -1.517   3.072  -0.523
   92    HA   VAL  17           HA       VAL  17  -0.425   3.267  -3.217
   93    HB   VAL  17           HB       VAL  17  -1.442   5.510  -1.462
   94   HG11  VAL  17          HG11      VAL  17  -1.873   6.479  -3.820
   95   HG12  VAL  17          HG12      VAL  17  -0.708   5.267  -4.353
   96   HG13  VAL  17          HG13      VAL  17  -0.231   6.493  -3.178
   97   HG21  VAL  17          HG21      VAL  17  -3.074   4.308  -3.650
   98   HG22  VAL  17          HG22      VAL  17  -3.591   5.213  -2.228
   99   HG23  VAL  17          HG23      VAL  17  -3.056   3.541  -2.062
  100    H    VAL  18           H        VAL  18   0.850   3.031  -0.247
  101    HA   VAL  18           HA       VAL  18   3.194   4.644  -0.986
  102    HB   VAL  18           HB       VAL  18   2.278   6.043   0.634
  103   HG11  VAL  18          HG11      VAL  18   1.287   3.540   1.844
  104   HG12  VAL  18          HG12      VAL  18   0.490   5.101   1.649
  105   HG13  VAL  18          HG13      VAL  18   1.655   4.861   2.952
  106   HG21  VAL  18          HG21      VAL  18   4.115   4.228   2.187
  107   HG22  VAL  18          HG22      VAL  18   3.714   5.895   2.595
  108   HG23  VAL  18          HG23      VAL  18   4.619   5.541   1.123
  109    H    CYS  19           H        CYS  19   5.159   3.970   0.086
  110    HA   CYS  19           HA       CYS  19   5.109   1.117   0.821
  111    HB2  CYS  19           HB2      CYS  19   7.183   2.644  -0.756
  112    HB3  CYS  19           HB3      CYS  19   7.431   1.014  -0.138
  113    H    PHE  20           H        PHE  20   7.713   3.512   0.931
  114    HA   PHE  20           HA       PHE  20   7.617   3.572   3.834
  115    HB2  PHE  20           HB2      PHE  20   9.914   2.377   2.290
  116    HB3  PHE  20           HB3      PHE  20  10.085   2.963   3.942
  117    HD1  PHE  20           HD1      PHE  20   8.671   1.924   5.744
  118    HD2  PHE  20           HD2      PHE  20   9.020   0.260   1.843
  119    HE1  PHE  20           HE1      PHE  20   7.857  -0.235   6.597
  120    HE2  PHE  20           HE2      PHE  20   8.206  -1.902   2.688
  121    HZ   PHE  20           HZ       PHE  20   7.624  -2.153   5.068
  122    H    DTR  21           H        DTR  21   7.649   5.339   1.256
  123    HA   DTR  21           HA       DTR  21   8.647   7.267   0.485
  124    HB2  DTR  21           HB2      DTR  21  10.613   8.253   1.534
  125    HB3  DTR  21           HB3      DTR  21  10.490   7.136   2.885
  126    HD1  DTR  21           HD1      DTR  21  11.580   4.768   2.592
  127    HE1  DTR  21           HE1      DTR  21  12.961   3.662   0.725
  128    HZ2  DTR  21           HZ2      DTR  21  13.644   4.177  -1.964
  129    HH2  DTR  21           HH2      DTR  21  13.263   5.850  -3.721
  130    HZ3  DTR  21           HZ3      DTR  21  11.883   7.823  -3.310
  131    HE3  DTR  21           HE3      DTR  21  10.828   8.204  -1.120